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 2.2-2.5 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 3 assignments used, quality = 1.00: * HB2 MET 1 + H LEU 2 OK 100 100 100 100 3.1-4.6 4.6=100 QE MET 1 + H LEU 2 OK 67 68 100 99 3.2-5.8 3.3/6006=70, 5.3/8=62...(13) HB3 LYS 47 - H LEU 2 far 0 95 0 - 9.9-13.6 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 3.0-4.6 4.6=100 QE MET 1 + H LEU 2 OK 83 84 100 99 3.2-5.8 3.3/6006=67, 5.3/8=59...(14) HB2 GLN 50 - H LEU 2 far 0 91 0 - 6.3-9.5 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 1.9-4.9 29=83, 5/8=74...(11) HB3 GLN 50 - H LEU 2 far 0 87 0 - 6.0-9.4 Violated in 0 structures by 0.00 A. Peak 6007 from nnoeabs.peaks (2.42, 8.51, 127.16 ppm; 5.43 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 1 + H LEU 2 OK 100 100 100 100 2.1-4.9 1.8/6006=92, 4.2/8=83...(12) HG3 GLU 48 - H LEU 2 far 15 99 15 - 5.1-8.6 HG2 GLN 50 - H LEU 2 far 5 94 5 - 6.2-10.8 HG3 GLN 50 - H LEU 2 far 0 98 0 - 6.6-10.8 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 3.2-5.8 37/8=71, 3.3/6006=64...(14) HB3 MET 1 + H LEU 2 OK 84 84 100 100 3.0-4.6 4.6=100 HB2 MET 1 + H LEU 2 OK 68 68 100 100 3.1-4.6 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 2.8-2.9 3.0=100 HA GLU 48 - H LEU 2 far 0 68 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 6010 from nnoeabs.peaks (1.70, 8.51, 127.16 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 2 OK 100 100 100 100 2.3-3.9 4.0=100 HB ILE 52 - H LEU 2 far 11 75 15 - 4.2-7.2 HB3 LYS 53 - H LEU 2 far 0 96 0 - 5.9-7.7 HD2 LYS 47 - H LEU 2 far 0 91 0 - 9.4-15.0 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 3.1-3.9 4.0=100 HG LEU 3 + H LEU 2 OK 69 70 100 99 3.8-5.2 ~8050=41, 8084/3.0=36...(17) HB3 LEU 27 - H LEU 2 far 0 99 0 - 7.9-10.2 QB ALA 25 - H LEU 2 far 0 100 0 - 9.2-11.0 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 4 assignments used, quality = 0.99: * HG LEU 2 + H LEU 2 OK 99 100 100 99 3.6-4.0 4.7=75, ~77=47, ~49=46...(8) HB2 LEU 3 - H LEU 2 far 0 61 0 - 5.8-7.3 HD3 LYS 53 - H LEU 2 far 0 63 0 - 6.1-9.6 HG2 LYS 47 - H LEU 2 far 0 87 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 6013 from nnoeabs.peaks (0.81, 8.51, 127.16 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 2 + H LEU 2 OK 100 100 100 100 1.7-2.0 4.7=100 QG2 ILE 52 - H LEU 2 far 4 77 5 - 5.3-7.4 QD2 LEU 103 - H LEU 2 far 0 94 0 - 9.7-16.6 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 2.0-4.1 4.7=100 QG2 ILE 76 - H LEU 2 far 0 100 0 - 8.4-10.9 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 - 8.2-8.7 H ASN 51 - H LEU 3 far 0 85 0 - 8.8-10.9 H GLN 50 - H LEU 3 far 0 59 0 - 9.4-11.5 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 2 assignments used, quality = 0.99: * HA LEU 2 + H LEU 3 OK 99 100 100 99 2.2-2.4 51=96, 77/83=32...(11) HA GLU 48 - H LEU 3 far 0 68 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 6019 from nnoeabs.peaks (1.70, 7.84, 122.56 ppm; 4.71 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 3 OK 100 100 100 100 2.6-4.2 4.6=100 HB3 LYS 53 - H LEU 3 far 0 96 0 - 5.7-6.7 HB ILE 52 - H LEU 3 far 0 75 0 - 6.3-8.6 HD3 LYS 47 - H LEU 3 far 0 92 0 - 9.6-16.2 HD2 LYS 47 - H LEU 3 far 0 91 0 - 9.7-15.4 Violated in 0 structures by 0.00 A. Peak 6020 from nnoeabs.peaks (1.33, 7.84, 122.56 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 2 + H LEU 3 OK 99 100 100 99 2.6-4.1 67=78, 3.0/6018=70...(10) HG LEU 3 + H LEU 3 OK 69 70 100 99 2.7-3.7 2.1/132=61, 116=53...(13) HB3 LEU 27 - H LEU 3 poor 18 99 25 73 3.6-5.7 3.0/8088=27...(8) QB ALA 25 - H LEU 3 far 0 100 0 - 6.5-8.2 HG2 ARG 30 - H LEU 3 far 0 59 0 - 9.9-13.3 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 = 0.80: HB2 LEU 3 + H LEU 3 OK 61 61 100 100 2.8-3.9 4.0=89, 3.0/116=57...(13) * HG LEU 2 + H LEU 3 OK 49 100 50 99 3.5-5.0 2.1/83=68, 3.7/6018=61...(11) HD3 LYS 53 - H LEU 3 far 0 63 0 - 7.0-9.3 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 4 assignments used, quality = 1.00: * QD2 LEU 2 + H LEU 3 OK 100 100 100 100 3.6-4.4 83=100, 77/6018=77...(11) QG2 ILE 52 - H LEU 3 far 0 77 0 - 6.4-7.7 QD1 LEU 6 - H LEU 3 far 0 61 0 - 9.5-10.6 QD1 ILE 93 - H LEU 3 far 0 59 0 - 9.7-11.7 Violated in 10 structures by 0.05 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 4.3-4.8 5.0=100 QG2 ILE 76 - H LEU 3 far 0 100 0 - 9.0-10.3 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 89 96 100 92 4.7-4.8 3.0/6032=55, ~99=31...(12) HA VAL 54 - H LEU 3 far 0 75 0 - 6.7-7.5 HA VAL 5 - H LEU 3 far 0 90 0 - 8.5-8.7 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 = 0.99: * HB2 LEU 3 + H LEU 3 OK 99 100 100 99 2.8-3.9 4.0=73, 3.0/116=50...(13) HG LEU 2 + H LEU 3 OK 29 61 50 95 3.5-5.0 2.1/83=60, 3.7/6018=54...(10) HB3 GLU 28 - H LEU 3 poor 20 99 20 - 4.2-5.6 HD3 LYS 53 - H LEU 3 far 0 100 0 - 7.0-9.3 Violated in 1 structures by 0.01 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 2.7-3.9 4.0=100 HB2 LEU 29 - H LEU 3 far 0 99 0 - 8.8-9.8 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 3 assignments used, quality = 1.00: * HG LEU 3 + H LEU 3 OK 100 100 100 100 2.7-3.7 116=82, 2.1/132=59...(13) HB3 LEU 2 + H LEU 3 OK 67 70 100 97 2.6-4.1 3.0/6018=68, 4.6=51...(11) HG2 ARG 30 - H LEU 3 far 0 100 0 - 9.9-13.3 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 3.8-4.7 124=98, 2.1/116=85...(10) Violated in 4 structures by 0.02 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 2.6-4.2 132=100, 2.1/116=79...(14) QD1 LEU 55 - H LEU 3 far 0 82 0 - 9.5-11.2 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 2 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...(13) H SER 9 - H GLU 63 far 0 35 0 - 9.2-10.7 Violated in 8 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 2.2-2.4 99=64, 125/6037=26...(20) HA TYR 4 + H TYR 4 OK 92 96 100 95 2.9-2.9 3.0=84, 3.0/6040=22...(12) HA VAL 54 + H TYR 4 OK 64 75 100 85 2.4-3.2 3.2/9227=20, 3.6/9293=20...(19) 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 10 assignments used, quality = 1.00: * HB2 LEU 3 + H TYR 4 OK 100 100 100 100 2.4-4.1 4.4=85, 1.8/6035=78...(18) HB3 GLU 28 - H TYR 4 far 5 99 5 - 5.0-6.2 HG LEU 2 - H TYR 4 far 0 61 0 - 5.2-7.4 HD3 LYS 82 - H GLU 63 far 0 54 0 - 5.3-8.0 HD3 LYS 53 - H TYR 4 far 0 100 0 - 6.1-7.4 HG LEU 6 - H TYR 4 far 0 81 0 - 6.5-7.4 HG2 ARG 79 - H TYR 4 far 0 93 0 - 6.8-10.6 HG3 ARG 79 - H TYR 4 far 0 94 0 - 7.6-11.1 HG12 ILE 56 - H TYR 4 far 0 90 0 - 7.8-9.5 HG3 ARG 30 - H TYR 4 far 0 88 0 - 9.2-11.3 Violated in 0 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 2.4-3.8 4.4=81, 3.0/99=76...(17) HG3 LYS 82 - H GLU 63 far 0 55 0 - 6.9-8.2 HB2 LEU 29 - H TYR 4 far 0 99 0 - 7.4-8.2 HB2 LEU 6 - H TYR 4 far 0 77 0 - 8.0-9.8 QG2 THR 34 - H GLU 63 far 0 44 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 6036 from nnoeabs.peaks (1.30, 8.36, 119.31 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 3 + H TYR 4 OK 100 100 100 100 4.3-5.1 2.1/6037=90, 123=82...(17) HB3 LEU 2 - H TYR 4 poor 17 70 30 83 5.3-7.8 4.6/6032=51...(6) QB ALA 67 - H GLU 63 far 0 29 0 - 5.7-6.1 HG2 ARG 30 - H TYR 4 far 0 100 0 - 8.5-11.6 Violated in 14 structures by 0.15 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 3.3-4.0 131=80, 125/99=65...(18) 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 4.5-5.2 5.0=100 QD1 LEU 55 - H TYR 4 far 0 82 0 - 6.7-7.8 Violated in 3 structures by 0.01 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 96 100 100 96 2.9-2.9 3.0=87, 3.0/6040=23...(11) HA LEU 3 + H TYR 4 OK 92 96 100 96 2.2-2.4 99=64, 3.0/6035=26...(20) HA VAL 54 + H TYR 4 OK 86 96 100 90 2.4-3.2 10203=27, 6902/9293=21...(19) 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): 2 out of 6 assignments used, quality = 0.99: * HB2 TYR 4 + H TYR 4 OK 97 100 100 97 2.6-3.9 3.8=71, 2.5/6042=41...(11) HG2 GLU 63 + H GLU 63 OK 56 58 100 96 1.9-3.8 3.0/2772=41, 1.8/2793=39...(16) HG3 GLU 62 - H GLU 63 poor 16 40 40 - 3.2-5.3 HG2 GLU 62 - H GLU 63 poor 14 40 35 - 2.8-5.1 HB2 GLU 48 - H TYR 4 far 0 100 0 - 8.9-10.5 HB2 TYR 41 - H TYR 4 far 0 88 0 - 8.9-10.5 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 2.7-3.9 3.8=100 HG3 GLU 48 - H TYR 4 far 0 79 0 - 7.9-11.2 HG3 GLU 99 - H TYR 4 far 0 92 0 - 9.0-14.6 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 = 0.99: * QD TYR 4 + H TYR 4 OK 98 100 100 98 2.4-3.3 4.5=58, 2.5/6040=47...(16) QE TYR 4 + H TYR 4 OK 25 98 30 85 4.5-5.1 4.4/6040=27, 8126=26...(11) 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 - 9.1-10.0 H LEU 57 - H TYR 4 far 0 99 0 - 9.9-11.0 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 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 6047 from nnoeabs.peaks (5.14, 8.92, 119.95 ppm; 2.89 A): 2 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...(17) HA VAL 5 + H VAL 5 OK 63 63 100 99 2.9-2.9 3.0=94, 3.0/6053=37...(13) HA VAL 54 - H VAL 5 far 0 96 0 - 4.3-4.9 HA LEU 3 - H VAL 5 far 0 96 0 - 6.4-6.5 HA ILE 7 - H VAL 5 far 0 98 0 - 7.9-8.7 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 2.3-3.7 1.8/6049=88, 4.6=82...(15) HB2 TYR 41 - H VAL 5 far 0 88 0 - 6.7-8.2 HG2 GLU 23 - H VAL 5 far 0 91 0 - 8.9-11.0 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 2.3-3.8 3.0/146=70, 160=66...(13) HG3 GLU 23 - H VAL 5 far 0 73 0 - 9.5-10.9 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 3.6-4.3 2.5/6049=74, 3.7/146=66...(19) QE TYR 4 - H VAL 5 far 0 98 0 - 5.8-6.3 Violated in 1 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...(17) HA LEU 3 - H VAL 5 far 0 90 0 - 6.4-6.5 HA ILE 7 - H VAL 5 far 0 85 0 - 7.9-8.7 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 = 1.00: * HB VAL 5 + H VAL 5 OK 100 100 100 100 2.8-3.0 167=76, 2.1/6055=66...(15) HB VAL 54 - H VAL 5 far 0 87 0 - 6.2-6.9 HB2 ARG 19 - H VAL 5 far 0 75 0 - 8.0-10.7 HB3 LEU 57 - H VAL 5 far 0 63 0 - 8.2-9.5 HB2 LYS 53 - H VAL 5 far 0 92 0 - 8.3-9.3 HG LEU 42 - H VAL 5 far 0 68 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 6054 from nnoeabs.peaks (0.73, 8.92, 119.95 ppm; 3.62 A): 2 out of 13 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...(15) QG1 VAL 54 + H VAL 5 OK 59 68 100 87 3.1-3.9 2.1/8183=25, 4.1/8161=23...(16) QD2 LEU 6 - H VAL 5 poor 17 57 30 - 2.9-5.4 QG2 ILE 93 - H VAL 5 far 0 87 0 - 5.5-6.8 QD1 ILE 56 - H VAL 5 far 0 93 0 - 5.6-8.6 QD2 LEU 27 - H VAL 5 far 0 100 0 - 5.8-6.6 HG13 ILE 56 - H VAL 5 far 0 98 0 - 6.4-9.4 HG13 ILE 93 - H VAL 5 far 0 95 0 - 6.4-9.2 QG1 VAL 78 - H VAL 5 far 0 93 0 - 6.6-9.1 QD1 ILE 52 - H VAL 5 far 0 73 0 - 7.0-8.6 QG2 VAL 78 - H VAL 5 far 0 100 0 - 7.2-9.7 QD1 ILE 8 - H VAL 5 far 0 95 0 - 8.4-10.1 QD1 LEU 42 - H VAL 5 far 0 61 0 - 9.0-10.2 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 2.7-3.3 179=78, 2.1/6053=67...(14) HG LEU 55 - H VAL 5 far 0 94 0 - 6.5-8.0 QG1 VAL 32 - H VAL 5 far 0 57 0 - 9.3-10.0 QG2 THR 80 - H VAL 5 far 0 70 0 - 9.8-10.7 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 4.0-4.4 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 4.0-4.4 3.0/6059=80, 4.7=64...(15) H LEU 57 + H LEU 6 OK 98 99 100 100 3.7-4.3 9333=76, 6930/8216=63...(20) H ARG 19 - H LEU 6 far 0 94 0 - 9.1-10.7 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 2.1-2.3 166=71, 3.2/178=33...(20) HA ILE 7 - H LEU 6 far 0 85 0 - 4.6-5.1 HA TYR 4 - H LEU 6 far 0 63 0 - 6.1-6.5 HA LEU 3 - H LEU 6 far 0 90 0 - 8.8-9.4 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 3.6-4.4 4.4=100 HB3 LEU 57 + H LEU 6 OK 29 63 55 84 4.7-6.2 3.9/9333=52, 3.1/225=22...(11) HB VAL 54 - H LEU 6 far 13 87 15 - 5.2-6.3 HG LEU 42 - H LEU 6 far 0 68 0 - 7.1-9.4 HB ILE 8 - H LEU 6 far 0 70 0 - 8.0-8.8 HB2 LYS 53 - H LEU 6 far 0 92 0 - 8.6-9.7 HB2 ARG 19 - H LEU 6 far 0 75 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 6061 from nnoeabs.peaks (0.73, 9.31, 126.92 ppm; 3.07 A): 2 out of 19 assignments used, quality = 0.98: * QG1 VAL 5 + H LEU 6 OK 96 100 100 96 1.9-3.0 178=61, 3.2/6059=48...(17) QG1 VAL 54 + H LEU 6 OK 49 68 100 72 2.8-3.5 4.1/9294=23, 10663=17...(13) HG13 ILE 56 - H LEU 6 poor 20 98 20 - 2.7-6.0 QD2 LEU 6 - H LEU 6 poor 14 57 25 - 3.0-4.6 QD1 ILE 56 - H LEU 6 far 14 93 15 - 2.6-5.8 QG1 VAL 78 - H LEU 6 far 0 93 0 - 4.9-8.0 QD1 ILE 8 - H LEU 6 far 0 95 0 - 5.3-7.1 QG2 VAL 78 - H LEU 6 far 0 100 0 - 5.3-8.0 HG13 ILE 93 - H LEU 6 far 0 95 0 - 6.0-9.0 QG2 ILE 93 - H LEU 6 far 0 87 0 - 6.0-7.6 QG1 VAL 58 - H LEU 6 far 0 100 0 - 6.5-7.2 QD1 LEU 42 - H LEU 6 far 0 61 0 - 7.1-9.2 QD2 LEU 14 - H LEU 6 far 0 94 0 - 8.1-8.9 QD2 LEU 27 - H LEU 6 far 0 100 0 - 8.1-9.4 HG3 ARG 81 - H LEU 6 far 0 98 0 - 8.7-10.9 QD1 LEU 64 - H LEU 6 far 0 96 0 - 8.9-9.7 QD1 ILE 15 - H LEU 6 far 0 71 0 - 9.0-9.8 QD1 ILE 52 - H LEU 6 far 0 73 0 - 9.0-10.1 HG13 ILE 15 - H LEU 6 far 0 81 0 - 9.1-10.4 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 3.8-4.1 4.1=78, 2.1/178=74...(13) HG LEU 55 + H LEU 6 OK 60 94 70 92 3.9-5.2 3.0/10371=42...(11) QG2 THR 80 - H LEU 6 far 0 70 0 - 6.5-7.4 QG1 VAL 32 - H LEU 6 far 0 57 0 - 7.2-8.1 QG2 VAL 83 - H LEU 6 far 0 95 0 - 8.1-8.9 HB2 ARG 81 - H LEU 6 far 0 97 0 - 8.2-10.5 Violated in 7 structures by 0.02 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 2.4-3.8 4.0=95, 1.8/6065=83...(19) HB2 LEU 29 - H LEU 6 far 0 92 0 - 5.6-6.7 HB2 LEU 57 - H LEU 6 far 0 96 0 - 6.4-7.6 QG2 THR 31 - H LEU 6 far 0 59 0 - 6.8-7.4 HB3 LEU 3 - H LEU 6 far 0 77 0 - 8.4-9.8 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 2.4-3.7 4.0=74, 1.8/6064=65...(19) HB3 ARG 79 - H LEU 6 far 0 100 0 - 6.8-9.8 HB3 LYS 53 - H LEU 6 far 0 63 0 - 8.9-10.1 Violated in 8 structures by 0.03 A. Peak 6066 from nnoeabs.peaks (1.52, 9.31, 126.92 ppm; 3.69 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 6 + H LEU 6 OK 99 100 100 99 2.3-3.7 209=67, 3.0/6065=58...(16) HG12 ILE 56 + H LEU 6 OK 58 100 60 97 3.7-5.7 3.2/8232=45, 3.9/8216=43...(14) HB ILE 7 - H LEU 6 far 0 100 0 - 5.0-5.6 HG LEU 57 - H LEU 6 far 0 87 0 - 5.6-7.0 HG2 ARG 79 - H LEU 6 far 0 99 0 - 6.8-10.3 HG3 ARG 30 - H LEU 6 far 0 100 0 - 7.5-8.7 HG3 ARG 79 - H LEU 6 far 0 99 0 - 8.0-10.6 HB2 LEU 3 - H LEU 6 far 0 81 0 - 8.2-9.7 HB3 GLU 28 - H LEU 6 far 0 61 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 6067 from nnoeabs.peaks (0.69, 9.31, 126.92 ppm; 3.28 A): 3 out of 14 assignments used, quality = 0.79: QG1 VAL 5 + H LEU 6 OK 54 57 100 95 1.9-3.0 3.2/6059=54, 4.1=50...(18) * QD2 LEU 6 + H LEU 6 OK 39 100 40 97 3.0-4.6 218/2.9=49, 3.1/6065=44...(13) HG13 ILE 56 + H LEU 6 OK 26 81 35 90 2.7-6.0 3.2/8232=35, 3.9/8216=34...(14) QD1 ILE 56 - H LEU 6 far 14 91 15 - 2.6-5.8 QD1 LEU 29 - H LEU 6 far 0 71 0 - 4.3-5.5 QG2 VAL 54 - H LEU 6 far 0 73 0 - 5.2-6.0 QD1 ILE 8 - H LEU 6 far 0 88 0 - 5.3-7.1 QG2 VAL 78 - H LEU 6 far 0 68 0 - 5.3-8.0 QG1 VAL 58 - H LEU 6 far 0 70 0 - 6.5-7.2 QD1 LEU 42 - H LEU 6 far 0 100 0 - 7.1-9.2 QG2 VAL 58 - H LEU 6 far 0 99 0 - 8.0-8.9 QD2 LEU 14 - H LEU 6 far 0 90 0 - 8.1-8.9 QD1 ILE 52 - H LEU 6 far 0 99 0 - 9.0-10.1 QD1 LEU 14 - H LEU 6 far 0 99 0 - 9.9-11.3 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 3.7-4.3 3.1/6065=50, 2.1/209=49...(15) QG1 VAL 54 + H LEU 6 OK 93 99 100 93 2.8-3.5 10663=41, 4.1/9294=31...(15) QD2 LEU 57 + H LEU 6 OK 61 85 95 75 2.9-4.5 4.6/9333=27, 225=16...(14) QG1 VAL 78 - H LEU 6 far 0 85 0 - 4.9-8.0 QD1 ILE 93 - H LEU 6 far 0 100 0 - 5.3-6.9 QG2 ILE 7 - H LEU 6 far 0 81 0 - 5.6-5.9 QD2 LEU 42 - H LEU 6 far 0 100 0 - 5.8-8.2 HG13 ILE 93 - H LEU 6 far 0 82 0 - 6.0-9.0 QG2 ILE 93 - H LEU 6 far 0 92 0 - 6.0-7.6 QD1 LEU 27 - H LEU 6 far 0 100 0 - 6.7-8.3 QG2 ILE 15 - H LEU 6 far 0 59 0 - 7.9-9.0 QG2 ILE 8 - H LEU 6 far 0 96 0 - 8.1-8.9 QG2 ILE 52 - H LEU 6 far 0 99 0 - 8.5-10.9 HG3 ARG 81 - H LEU 6 far 0 75 0 - 8.7-10.9 QD1 LEU 64 - H LEU 6 far 0 79 0 - 8.9-9.7 QD1 ILE 15 - H LEU 6 far 0 99 0 - 9.0-9.8 HG13 ILE 15 - H LEU 6 far 0 96 0 - 9.1-10.4 QD1 ILE 76 - H LEU 6 far 0 77 0 - 9.4-10.7 QD2 LEU 2 - H LEU 6 far 0 61 0 - 9.9-11.8 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 4.0-4.5 4.6=100 H VAL 54 - H LEU 6 far 0 73 0 - 6.9-8.0 H VAL 32 - H LEU 6 far 0 90 0 - 7.1-8.2 H LEU 29 - H LEU 6 far 0 100 0 - 7.5-8.4 H THR 31 - H LEU 6 far 0 61 0 - 7.6-8.1 H LYS 53 - H LEU 6 far 0 99 0 - 9.3-10.3 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 4.0-4.5 4.6=96, 2.9/6072=91...(16) H LYS 33 - H ILE 7 far 0 99 0 - 7.1-8.4 Violated in 5 structures by 0.01 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 2.1-2.5 192=70, 3.0/6074=27...(20) 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 2.4-4.5 3.0/6072=74, 4.3=68...(19) QG2 THR 31 + H ILE 7 OK 55 59 100 93 3.4-4.2 3.2/8251=59, 2.1/8252=44...(9) HB2 LEU 57 - H ILE 7 far 0 96 0 - 5.9-7.1 HB2 LEU 29 - H ILE 7 far 0 92 0 - 6.2-7.2 QG2 THR 34 - H ILE 7 far 0 100 0 - 9.7-10.9 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 2.4-4.3 4.3=91, 3.0/6072=84...(19) Violated in 2 structures by 0.02 A. Peak 6075 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.37 A): 1 out of 9 assignments used, quality = 1.00: HB ILE 7 + H ILE 7 OK 100 100 100 100 2.5-3.2 241=72, 2.1/6077=70...(18) ! HG LEU 6 - H ILE 7 far 0 100 0 - 4.3-5.4 HG12 ILE 56 - H ILE 7 far 0 100 0 - 5.6-8.9 HG LEU 57 - H ILE 7 far 0 87 0 - 6.1-7.4 HG3 ARG 30 - H ILE 7 far 0 100 0 - 6.7-7.4 HG3 LYS 33 - H ILE 7 far 0 91 0 - 7.4-8.7 HG2 LYS 33 - H ILE 7 far 0 88 0 - 8.3-9.6 HB2 LEU 14 - H ILE 7 far 0 100 0 - 8.7-11.2 HB3 GLU 28 - H ILE 7 far 0 61 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 6076 from nnoeabs.peaks (0.69, 8.46, 119.78 ppm; 3.47 A): 1 out of 13 assignments used, quality = 0.98: * QD2 LEU 6 + H ILE 7 OK 98 100 100 98 2.6-3.9 218/6072=56, 3.1/6074=41...(18) QG1 VAL 5 - H ILE 7 poor 17 57 45 68 3.4-5.0 4.1/6071=29, 190/6072=19...(11) QD1 LEU 29 - H ILE 7 poor 14 71 20 - 4.2-5.1 QD1 ILE 8 - H ILE 7 far 4 88 5 - 3.9-6.0 QD1 ILE 56 - H ILE 7 far 0 91 0 - 4.5-8.2 HG13 ILE 56 - H ILE 7 far 0 81 0 - 5.3-8.3 QG1 VAL 58 - H ILE 7 far 0 70 0 - 5.8-6.8 QD2 LEU 14 - H ILE 7 far 0 90 0 - 6.2-6.7 QG2 VAL 58 - H ILE 7 far 0 99 0 - 7.9-8.7 QG2 VAL 54 - H ILE 7 far 0 73 0 - 8.0-9.0 QG2 VAL 78 - H ILE 7 far 0 68 0 - 8.0-10.2 QD1 LEU 42 - H ILE 7 far 0 100 0 - 8.5-9.9 QD1 LEU 14 - H ILE 7 far 0 99 0 - 8.5-9.3 Violated in 8 structures by 0.11 A. Peak 6077 from nnoeabs.peaks (0.77, 8.46, 119.78 ppm; 3.16 A): 1 out of 15 assignments used, quality = 0.79: QG2 ILE 7 + H ILE 7 OK 79 81 100 98 2.2-2.5 2.1/6075=58, 4.0=49...(20) QD2 LEU 57 - H ILE 7 far 0 85 0 - 4.2-6.1 ! QD1 LEU 6 - H ILE 7 far 0 100 0 - 4.2-5.4 QG2 ILE 15 - H ILE 7 far 0 59 0 - 4.8-6.2 HG13 ILE 15 - H ILE 7 far 0 96 0 - 5.3-6.7 QG1 VAL 54 - H ILE 7 far 0 99 0 - 5.6-6.5 QD1 ILE 93 - H ILE 7 far 0 100 0 - 5.6-7.3 QD1 ILE 15 - H ILE 7 far 0 99 0 - 5.9-6.5 QG2 ILE 8 - H ILE 7 far 0 96 0 - 6.0-6.5 HG13 ILE 93 - H ILE 7 far 0 82 0 - 7.3-9.7 QG2 ILE 93 - H ILE 7 far 0 92 0 - 7.4-9.3 QG1 VAL 78 - H ILE 7 far 0 85 0 - 7.9-10.6 QD2 LEU 42 - H ILE 7 far 0 100 0 - 8.1-9.5 QD1 LEU 27 - H ILE 7 far 0 100 0 - 9.2-10.7 QD1 LEU 64 - H ILE 7 far 0 79 0 - 9.9-11.0 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 2.9-2.9 3.0=100 HA VAL 5 - H ILE 7 far 0 85 0 - 5.5-6.4 HA TYR 4 - H ILE 7 far 0 98 0 - 8.5-9.6 HA VAL 54 - H ILE 7 far 0 81 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 6079 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.37 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 7 + H ILE 7 OK 100 100 100 100 2.5-3.2 241=72, 2.1/6077=70...(18) HG LEU 6 - H ILE 7 far 0 100 0 - 4.3-5.4 HG12 ILE 56 - H ILE 7 far 0 99 0 - 5.6-8.9 HG LEU 57 - H ILE 7 far 0 91 0 - 6.1-7.4 HG3 ARG 30 - H ILE 7 far 0 99 0 - 6.7-7.4 HG3 LYS 33 - H ILE 7 far 0 94 0 - 7.4-8.7 HG2 LYS 33 - H ILE 7 far 0 84 0 - 8.3-9.6 HB2 LEU 14 - H ILE 7 far 0 100 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 6080 from nnoeabs.peaks (0.80, 8.46, 119.78 ppm; 3.05 A): 2 out of 14 assignments used, quality = 0.99: * QG2 ILE 7 + H ILE 7 OK 98 100 100 98 2.2-2.5 2.1/6075=54, 4.0=44...(20) QG2 VAL 32 + H ILE 7 OK 38 71 70 75 3.1-4.4 2.1/8270=22...(11) QD2 LEU 57 - H ILE 7 far 0 100 0 - 4.2-6.1 QD1 LEU 6 - H ILE 7 far 0 81 0 - 4.2-5.4 QD2 LEU 38 - H ILE 7 far 0 87 0 - 4.3-8.3 QG2 ILE 15 - H ILE 7 far 0 99 0 - 4.8-6.2 QG1 VAL 54 - H ILE 7 far 0 63 0 - 5.6-6.5 QD1 ILE 93 - H ILE 7 far 0 79 0 - 5.6-7.3 QD1 ILE 15 - H ILE 7 far 0 59 0 - 5.9-6.5 QG2 ILE 8 - H ILE 7 far 0 98 0 - 6.0-6.5 QD1 LEU 57 - H ILE 7 far 0 79 0 - 6.6-7.5 QD2 LEU 42 - H ILE 7 far 0 73 0 - 8.1-9.5 QD1 LEU 70 - H ILE 7 far 0 95 0 - 8.8-12.2 QD1 LEU 27 - H ILE 7 far 0 77 0 - 9.2-10.7 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 6 assignments used, quality = 1.00: * HG12 ILE 7 + H ILE 7 OK 100 100 100 100 4.4-4.6 1.8/6082=74, 257=73...(11) HG LEU 29 + H ILE 7 OK 88 99 100 89 3.6-4.7 6479/8238=46...(8) HB2 LEU 38 - H ILE 7 far 0 75 0 - 6.9-10.2 QB ALA 22 - H ILE 7 far 0 99 0 - 7.0-8.6 HG LEU 38 - H ILE 7 far 0 68 0 - 7.4-9.9 QB ALA 71 - H ILE 7 far 0 97 0 - 9.3-10.7 Violated in 11 structures by 0.06 A. Peak 6082 from nnoeabs.peaks (0.89, 8.46, 119.78 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 7 + H ILE 7 OK 100 100 100 100 4.5-4.9 4.5=73, 2.9/6075=72...(12) HG13 ILE 8 - H ILE 7 poor 20 100 20 - 4.5-6.3 QD1 LEU 38 - H ILE 7 far 0 71 0 - 5.1-9.0 QG1 VAL 32 - H ILE 7 far 0 97 0 - 5.2-6.1 Violated in 20 structures by 0.67 A. Peak 6083 from nnoeabs.peaks (0.62, 8.46, 119.78 ppm; 3.86 A): 4 out of 5 assignments used, quality = 0.96: QD2 LEU 29 + H ILE 7 OK 68 90 80 95 2.9-5.0 1295=37, 4.6/8238=34...(11) * QD1 ILE 7 + H ILE 7 OK 65 100 65 100 4.4-4.8 3.0/6077=70, 2.1/6082=66...(13) QG2 ILE 56 + H ILE 7 OK 39 91 45 94 3.9-5.7 10672/6074=38...(13) QD1 LEU 29 + H ILE 7 OK 37 71 60 86 4.2-5.1 4.6/8238=34, 2.1/6081=31...(8) QG2 VAL 54 - H ILE 7 far 0 70 0 - 8.0-9.0 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 4.3-4.6 4.7=98, 6087/3.0=93...(15) H ARG 81 - H ILE 7 far 0 59 0 - 8.9-9.7 H SER 59 - H ILE 7 far 0 100 0 - 9.2-10.2 H ALA 22 - H ILE 7 far 0 94 0 - 9.2-11.0 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 4.3-4.6 3.0/6087=89, 6084=87...(15) H VAL 32 + H ILE 8 OK 79 90 90 98 4.7-5.4 10147/3.0=55, 10517=36...(13) H THR 31 - H ILE 8 far 0 61 0 - 8.3-8.8 H ALA 67 - H ILE 8 far 0 90 0 - 8.6-9.9 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 2 assignments used, quality = 0.99: * HA ILE 7 + H ILE 8 OK 99 100 100 99 2.2-2.3 240=77, 3.0/256=30...(20) HA VAL 5 - H ILE 8 far 0 85 0 - 8.3-9.2 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 8 assignments used, quality = 1.00: * HB ILE 7 + H ILE 8 OK 100 100 100 100 4.1-4.2 3.0/6087=83, 4.5=83...(14) HG LEU 57 - H ILE 8 far 0 91 0 - 5.6-6.5 HG12 ILE 56 - H ILE 8 far 0 99 0 - 6.4-8.8 HB2 LEU 14 - H ILE 8 far 0 100 0 - 6.6-9.0 HG3 LYS 33 - H ILE 8 far 0 94 0 - 7.7-9.1 HB3 LEU 64 - H ILE 8 far 0 73 0 - 8.0-8.7 HG LEU 6 - H ILE 8 far 0 100 0 - 8.0-8.4 HG2 LYS 33 - H ILE 8 far 0 84 0 - 9.2-10.4 Violated in 4 structures by 0.00 A. Peak 6089 from nnoeabs.peaks (0.80, 8.80, 128.92 ppm; 3.28 A): 2 out of 13 assignments used, quality = 1.00: * QG2 ILE 7 + H ILE 8 OK 99 100 100 99 3.4-3.6 256=58, 3.0/6087=57...(15) QG2 ILE 8 + H ILE 8 OK 96 98 100 98 3.8-3.9 2.1/6094=61, 4.0=55...(13) QD2 LEU 57 - H ILE 8 far 0 100 0 - 4.6-5.6 QD1 ILE 15 - H ILE 8 far 0 59 0 - 4.6-6.0 QG2 VAL 32 - H ILE 8 far 0 71 0 - 5.0-6.1 QD2 LEU 38 - H ILE 8 far 0 87 0 - 5.2-7.6 QD1 LEU 57 - H ILE 8 far 0 79 0 - 5.4-5.9 QG2 ILE 15 - H ILE 8 far 0 99 0 - 6.2-7.4 QD1 LEU 6 - H ILE 8 far 0 81 0 - 6.7-7.4 QD1 ILE 93 - H ILE 8 far 0 79 0 - 6.8-8.1 QG1 VAL 54 - H ILE 8 far 0 63 0 - 7.9-8.9 QD1 LEU 70 - H ILE 8 far 0 95 0 - 8.8-12.6 QD2 LEU 42 - H ILE 8 far 0 73 0 - 9.3-11.1 Violated in 8 structures by 0.01 A. Peak 6090 from nnoeabs.peaks (1.42, 8.80, 128.92 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 7 + H ILE 8 OK 100 100 100 100 2.2-3.1 264=69, 237/6087=59...(14) HB2 LEU 38 - H ILE 8 far 0 75 0 - 7.1-10.4 HG LEU 38 - H ILE 8 far 0 68 0 - 7.5-10.6 HG LEU 29 - H ILE 8 far 0 99 0 - 7.7-8.3 HD2 LYS 82 - H ILE 8 far 0 68 0 - 9.0-10.3 QB ALA 71 - H ILE 8 far 0 97 0 - 9.7-10.9 QB ALA 22 - H ILE 8 far 0 99 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 6091 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.62 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 7 + H ILE 8 OK 100 100 100 100 2.2-3.1 1.8/6090=66, 3.9/6087=51...(16) HG13 ILE 8 + H ILE 8 OK 93 100 95 99 2.8-4.6 1.8/6096=72, 2.9/6094=60...(10) QD1 LEU 38 - H ILE 8 far 0 71 0 - 5.2-9.1 QG1 VAL 32 - H ILE 8 far 0 97 0 - 5.2-6.1 QD2 LEU 64 - H ILE 8 far 0 75 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 6092 from nnoeabs.peaks (0.62, 8.80, 128.92 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 7 + H ILE 8 OK 100 100 100 100 3.9-4.2 2.1/6090=73, 3.0/256=61...(15) QG2 ILE 56 + H ILE 8 OK 83 91 95 97 3.3-5.0 4.1/8292=43...(13) QD2 LEU 29 - H ILE 8 far 0 90 0 - 6.3-7.9 QD1 LEU 29 - H ILE 8 far 0 71 0 - 6.5-7.2 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 2 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 - 9.0-10.7 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 8 assignments used, quality = 0.99: * HB ILE 8 + H ILE 8 OK 99 100 100 99 2.6-2.8 3.8=75, 2.9/6096=50...(13) HB3 LEU 14 - H ILE 8 far 0 100 0 - 6.7-8.2 HB2 LYS 33 - H ILE 8 far 0 90 0 - 8.4-10.4 HB VAL 5 - H ILE 8 far 0 70 0 - 8.8-9.8 HB3 LYS 33 - H ILE 8 far 0 92 0 - 8.8-10.8 HB3 LYS 66 - H ILE 8 far 0 70 0 - 9.4-10.9 HB3 ARG 19 - H ILE 8 far 0 70 0 - 9.7-12.8 HB2 ARG 19 - H ILE 8 far 0 100 0 - 9.9-13.1 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 13 assignments used, quality = 1.00: * QG2 ILE 8 + H ILE 8 OK 98 100 100 98 3.8-3.9 2.1/6094=62, 4.0=56...(13) QG2 ILE 7 + H ILE 8 OK 97 98 100 99 3.4-3.6 256=58, 3.0/6087=58...(15) QD2 LEU 57 - H ILE 8 far 0 99 0 - 4.6-5.6 QD1 ILE 15 - H ILE 8 far 0 82 0 - 4.6-6.0 QD2 LEU 38 - H ILE 8 far 0 65 0 - 5.2-7.6 HG13 ILE 15 - H ILE 8 far 0 73 0 - 5.4-5.9 QG2 ILE 15 - H ILE 8 far 0 88 0 - 6.2-7.4 QD1 LEU 6 - H ILE 8 far 0 96 0 - 6.7-7.4 QD1 ILE 93 - H ILE 8 far 0 95 0 - 6.8-8.1 QG1 VAL 54 - H ILE 8 far 0 85 0 - 7.9-8.9 QD1 LEU 70 - H ILE 8 far 0 79 0 - 8.8-12.6 QD2 LEU 42 - H ILE 8 far 0 92 0 - 9.3-11.1 QG2 ILE 93 - H ILE 8 far 0 65 0 - 9.4-11.0 Violated in 1 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 3.0-3.8 305=69, 2.9/6094=61...(16) QB ALA 89 - H ILE 8 far 0 87 0 - 5.6-7.0 QB ALA 67 - H ILE 8 far 0 84 0 - 5.9-6.7 HG LEU 14 - H ILE 8 far 0 98 0 - 6.8-8.5 HB2 LYS 82 - H ILE 8 far 0 92 0 - 8.0-9.3 HB3 ARG 30 - H ILE 8 far 0 99 0 - 9.0-10.3 Violated in 5 structures by 0.02 A. Peak 6097 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.62 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 7 + H ILE 8 OK 100 100 100 100 2.2-3.1 1.8/6090=66, 3.9/6087=51...(16) * HG13 ILE 8 + H ILE 8 OK 94 100 95 99 2.8-4.6 1.8/6096=72, 2.9/6094=60...(10) QD1 LEU 38 - H ILE 8 far 0 82 0 - 5.2-9.1 QG1 VAL 32 - H ILE 8 far 0 92 0 - 5.2-6.1 QD2 LEU 64 - H ILE 8 far 0 85 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 6098 from nnoeabs.peaks (0.71, 8.80, 128.92 ppm; 3.55 A): 3 out of 15 assignments used, quality = 1.00: * QD1 ILE 8 + H ILE 8 OK 98 100 100 98 2.9-4.2 2.1/6096=65, 3.2/6094=53...(15) QG1 VAL 58 + H ILE 8 OK 97 99 100 98 3.1-4.0 10224/6094=48...(15) QD2 LEU 14 + H ILE 8 OK 51 100 60 85 4.1-5.1 12015/6090=41...(12) QG2 VAL 58 - H ILE 8 far 0 70 0 - 5.1-5.5 QD1 ILE 56 - H ILE 8 far 0 100 0 - 5.6-7.9 QG1 VAL 5 - H ILE 8 far 0 95 0 - 5.9-6.7 QD1 LEU 14 - H ILE 8 far 0 73 0 - 6.0-7.1 QD2 LEU 6 - H ILE 8 far 0 88 0 - 6.0-7.3 HG13 ILE 56 - H ILE 8 far 0 100 0 - 6.3-8.5 QD1 LEU 64 - H ILE 8 far 0 73 0 - 7.9-8.6 QG1 VAL 78 - H ILE 8 far 0 65 0 - 8.6-11.7 QG2 VAL 78 - H ILE 8 far 0 98 0 - 8.7-11.4 HG3 ARG 81 - H ILE 8 far 0 77 0 - 8.8-11.6 HG13 ILE 93 - H ILE 8 far 0 70 0 - 8.9-10.5 QD1 LEU 42 - H ILE 8 far 0 91 0 - 9.1-10.8 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 1 assignment used, quality = 1.00: * H SER 9 + H ILE 8 OK 100 100 100 100 3.9-4.0 4.6=100 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): 1 out of 2 assignments used, quality = 1.00: * H ILE 8 + H SER 9 OK 100 100 100 100 3.9-4.0 3.0/6102=87, 4.6=73...(16) H SER 59 - H SER 9 far 0 100 0 - 6.1-6.8 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 = 0.91: * HA ILE 8 + H SER 9 OK 91 100 100 91 2.2-2.2 288=46, 3.2/304=24...(19) HA ASP 11 - H SER 9 far 0 96 0 - 7.5-7.8 HB THR 34 - H SER 9 far 0 96 0 - 9.5-11.2 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 7 assignments used, quality = 1.00: * HB ILE 8 + H SER 9 OK 100 100 100 100 4.4-4.5 3.0/6102=88, 4.4=87...(13) HB2 LYS 33 - H SER 9 far 0 90 0 - 5.4-7.7 HB3 LEU 14 - H SER 9 far 0 100 0 - 5.8-7.2 HB3 LYS 33 - H SER 9 far 0 92 0 - 5.8-8.3 HB2 LYS 12 - H SER 9 far 0 75 0 - 9.2-10.2 HB3 LYS 12 - H SER 9 far 0 79 0 - 9.3-10.1 HB3 ARG 19 - H SER 9 far 0 70 0 - 10.0-12.9 Violated in 20 structures by 0.17 A. Peak 6104 from nnoeabs.peaks (0.79, 7.81, 116.36 ppm; 3.05 A): 3 out of 10 assignments used, quality = 1.00: * QG2 ILE 8 + H SER 9 OK 95 100 100 95 3.0-3.2 3.2/6102=50, 304=47...(13) QG2 ILE 7 + H SER 9 OK 92 98 100 94 3.4-3.7 3.2/6106=34...(17) QD1 ILE 15 + H SER 9 OK 62 82 100 76 2.8-3.5 8467/8314=19, 8436=19...(13) HG13 ILE 15 - H SER 9 far 4 73 5 - 3.9-4.8 QG2 ILE 15 - H SER 9 far 0 88 0 - 5.4-6.3 QD2 LEU 38 - H SER 9 far 0 65 0 - 6.6-8.7 QD2 LEU 57 - H SER 9 far 0 99 0 - 7.6-8.8 QD1 LEU 6 - H SER 9 far 0 96 0 - 8.3-9.3 QD1 ILE 93 - H SER 9 far 0 95 0 - 9.1-10.1 QD1 LEU 70 - H SER 9 far 0 79 0 - 9.8-13.3 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 4.4-4.8 4.1/6102=75, 3.1/304=72...(13) QB ALA 89 - H SER 9 far 0 87 0 - 7.4-8.7 HG LEU 14 - H SER 9 far 0 98 0 - 7.6-8.9 QB ALA 67 - H SER 9 far 0 84 0 - 8.1-9.0 HB3 ARG 30 - H SER 9 far 0 99 0 - 9.8-11.2 Violated in 19 structures by 0.12 A. Peak 6106 from nnoeabs.peaks (0.89, 7.81, 116.36 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.97: HG13 ILE 7 + H SER 9 OK 97 100 100 97 3.9-4.2 8322/6109=38...(13) ! HG13 ILE 8 - H SER 9 far 0 100 0 - 4.9-5.3 QG1 VAL 32 - H SER 9 far 0 92 0 - 5.0-6.0 QD1 LEU 38 - H SER 9 far 0 82 0 - 6.8-10.7 Violated in 20 structures by 0.22 A. Peak 6107 from nnoeabs.peaks (0.71, 7.81, 116.36 ppm; 4.03 A): 1 out of 9 assignments used, quality = 0.58: QD2 LEU 14 + H SER 9 OK 58 100 60 96 4.5-5.7 8317/2.9=43...(15) ! QD1 ILE 8 - H SER 9 far 0 100 0 - 5.2-5.5 QG1 VAL 58 - H SER 9 far 0 99 0 - 5.6-6.6 QD1 LEU 14 - H SER 9 far 0 73 0 - 6.1-7.4 QD2 LEU 6 - H SER 9 far 0 88 0 - 7.3-8.9 QG2 VAL 58 - H SER 9 far 0 70 0 - 7.3-8.0 QD1 ILE 56 - H SER 9 far 0 100 0 - 8.3-10.6 QG1 VAL 5 - H SER 9 far 0 95 0 - 8.4-9.3 HG13 ILE 56 - H SER 9 far 0 100 0 - 9.5-11.8 Violated in 20 structures by 0.89 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 - 6.2-6.7 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 = 0.99: * HB2 SER 9 + H SER 9 OK 99 100 100 99 3.0-3.6 4.0=74, 1.8/6110=65...(13) HE3 LYS 33 - H SER 9 far 0 79 0 - 4.6-8.9 HE2 LYS 33 - H SER 9 far 0 79 0 - 4.8-9.1 HB3 ASP 11 - H SER 9 far 0 100 0 - 7.0-8.4 HE2 LYS 12 - H SER 9 far 0 96 0 - 7.4-11.6 HE3 LYS 12 - H SER 9 far 0 84 0 - 8.4-11.5 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 2.9-3.4 4.0=95, 1.8/6109=83...(12) HA GLU 63 - H SER 9 far 0 98 0 - 8.5-10.0 HA GLU 35 - H SER 9 far 0 59 0 - 9.4-11.0 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 71 73 100 97 4.8-5.3 10387/2.9=51...(10) H ALA 18 - H SER 9 far 0 97 0 - 9.5-10.2 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 74 74 100 100 3.8-4.7 6296=80, 6298/6281=73...(13) H SER 9 - H ALA 18 far 0 85 0 - 9.5-10.2 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 2 assignments used, quality = 0.95: * HA SER 9 + H ASN 10 OK 95 100 100 95 2.3-2.6 3.6=71, 3.0/6116=31...(9) HA MET 21 - H ALA 18 far 0 75 0 - 7.1-8.0 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 15 assignments used, quality = 1.00: * HB2 SER 9 + H ASN 10 OK 100 100 100 100 2.7-4.1 3.0/6114=74, 4.6=69...(11) HB3 ASP 11 + H ASN 10 OK 47 100 60 78 3.8-5.6 3.0/10385=47...(10) HE2 LYS 33 - H ASN 10 far 0 79 0 - 6.4-11.1 HE3 LYS 33 - H ASN 10 far 0 79 0 - 6.6-10.3 HE3 LYS 12 - H ASN 10 far 0 84 0 - 7.3-11.3 HB2 SER 9 - H ALA 18 far 0 85 0 - 7.7-8.9 HE2 LYS 12 - H ASN 10 far 0 96 0 - 7.9-10.8 HB3 ASP 11 - H ALA 18 far 0 84 0 - 8.0-9.4 HE2 LYS 13 - H ALA 18 far 0 57 0 - 8.2-12.2 HE2 LYS 12 - H ALA 18 far 0 77 0 - 8.4-12.4 HE3 LYS 12 - H ALA 18 far 0 65 0 - 9.2-12.8 HE3 LYS 13 - H ASN 10 far 0 71 0 - 9.3-12.9 HE3 LYS 13 - H ALA 18 far 0 54 0 - 9.5-12.1 HE3 LYS 24 - H ALA 18 far 0 60 0 - 9.5-14.9 HE2 LYS 13 - H ASN 10 far 0 75 0 - 9.9-13.0 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 4 assignments used, quality = 1.00: * HB3 SER 9 + H ASN 10 OK 100 100 100 100 2.7-4.1 4.6=92, 3.0/6114=84...(10) HA ALA 89 - H ALA 18 far 0 66 0 - 6.7-7.7 HB3 SER 9 - H ALA 18 far 0 85 0 - 7.9-9.1 HA ARG 91 - H ALA 18 far 0 45 0 - 8.9-11.7 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 - 9.6-10.3 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 2.3-3.0 4.0=87, 1.8/6119=78...(8) HE3 LYS 90 - H ALA 18 far 8 83 10 - 2.6-9.0 HE2 LYS 20 - H ALA 18 far 0 77 0 - 5.1-9.0 HE3 LYS 20 - H ALA 18 far 0 78 0 - 5.3-8.5 HG2 MET 21 - H ALA 18 far 0 80 0 - 5.5-7.6 HE3 LYS 12 - H ASN 10 far 0 63 0 - 7.3-11.3 HB2 ASN 60 - H ASN 10 far 0 65 0 - 7.4-9.6 HE2 LYS 13 - H ALA 18 far 0 55 0 - 8.2-12.2 HE3 LYS 12 - H ALA 18 far 0 47 0 - 9.2-12.8 HE3 LYS 13 - H ASN 10 far 0 77 0 - 9.3-12.9 HE3 LYS 13 - H ALA 18 far 0 59 0 - 9.5-12.1 HE3 LYS 24 - H ALA 18 far 0 52 0 - 9.5-14.9 HE2 LYS 13 - H ASN 10 far 0 73 0 - 9.9-13.0 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 = 0.98: * HB3 ASN 10 + H ASN 10 OK 98 100 100 98 2.4-3.8 4.0=78, 1.8/6118=70...(8) Violated in 2 structures by 0.01 A. Peak 6121 from nnoeabs.peaks (7.61, 8.64, 122.61 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 10 + H ASN 10 OK 100 100 100 100 4.1-5.1 3.5/6119=87, 3.5/6118=85...(4) H GLU 88 - H ALA 18 far 0 52 0 - 8.2-9.8 H LYS 24 - H ALA 18 far 0 55 0 - 9.2-9.9 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 4.6-5.9 5.6=100 H ASP 11 + HD21 ASN 10 OK 53 73 75 97 6.2-6.8 6138/3.5=61, 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 3.3-4.5 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 0 63 0 - 6.0-12.6 HB2 ASN 60 - HD21 ASN 10 far 0 65 0 - 8.8-12.7 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 2 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 4.1-5.1 5.6=100 H ASP 11 + HD22 ASN 10 OK 73 73 100 100 5.0-5.8 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 2.2-4.3 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 4 assignments used, quality = 1.00: * HB2 ASN 10 + HD22 ASN 10 OK 100 100 100 100 2.2-3.6 3.5=100 HE3 LYS 12 - HD22 ASN 10 far 3 63 5 - 4.6-11.5 HB2 ASN 60 - HD22 ASN 10 far 0 65 0 - 9.3-12.7 HE3 LYS 13 - HD22 ASN 10 far 0 77 0 - 9.8-16.2 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 2.3-3.0 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 3.2-3.4 3.6=100 HA ARG 30 - H ALA 18 far 0 45 0 - 9.6-10.3 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 14 assignments used, quality = 0.96: * HB2 ASN 10 + H ASP 11 OK 96 100 100 96 3.6-3.8 1.8/6139=51, 4.6=47...(10) HE3 LYS 90 - H ALA 18 far 6 62 10 - 2.6-9.0 HE2 LYS 20 - H ALA 18 far 0 57 0 - 5.1-9.0 HE3 LYS 20 - H ALA 18 far 0 58 0 - 5.3-8.5 HG2 MET 21 - H ALA 18 far 0 60 0 - 5.5-7.6 HE3 LYS 12 - H ASP 11 far 0 63 0 - 6.4-9.6 HE3 LYS 13 - H ASP 11 far 0 77 0 - 7.7-10.9 HE2 LYS 13 - H ASP 11 far 0 73 0 - 8.0-11.2 HE2 LYS 13 - H ALA 18 far 0 40 0 - 8.2-12.2 HE3 LYS 12 - H ALA 18 far 0 33 0 - 9.2-12.8 HB2 ASN 60 - H ASP 11 far 0 65 0 - 9.3-11.4 HE3 LYS 13 - H ALA 18 far 0 42 0 - 9.5-12.1 HE3 LYS 24 - H ALA 18 far 0 37 0 - 9.5-14.9 HE3 LYS 90 - H ASP 11 far 0 99 0 - 9.8-15.9 Violated in 20 structures by 0.07 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 3.6-4.4 1.8/6138=94, 4.6=87...(10) Violated in 1 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 5.0-5.8 3.5/6138=95, 3.5/6139=86...(6) H GLU 88 - H ALA 18 far 0 37 0 - 8.2-9.8 H LYS 24 - H ALA 18 far 0 40 0 - 9.2-9.9 Violated in 1 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 ILE 8 - H ASP 11 far 0 96 0 - 7.0-7.4 HA THR 84 - H ASP 11 far 0 95 0 - 8.9-11.2 HA ASP 11 - H ALA 18 far 0 64 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 6143 from nnoeabs.peaks (2.43, 8.67, 122.72 ppm; 3.29 A): 1 out of 6 assignments used, quality = 0.97: * HB2 ASP 11 + H ASP 11 OK 97 100 100 97 2.3-3.3 4.0=56, 1.8/6144=44...(12) HG3 GLU 17 - H ALA 18 far 6 64 10 - 4.0-5.0 HB3 MET 21 - H ALA 18 far 0 38 0 - 4.6-7.7 HG3 MET 21 - H ALA 18 far 0 40 0 - 5.3-7.3 HG3 GLU 17 - H ASP 11 far 0 100 0 - 9.2-11.7 HB2 ASP 11 - H ALA 18 far 0 64 0 - 9.6-10.6 Violated in 2 structures by 0.00 A. Peak 6144 from nnoeabs.peaks (2.99, 8.67, 122.72 ppm; 3.13 A): 2 out of 15 assignments used, quality = 0.98: * HB3 ASP 11 + H ASP 11 OK 94 100 100 94 2.4-3.7 1.8/6143=64, 4.0=48...(13) HB2 SER 9 + H ASP 11 OK 65 100 70 92 2.4-4.2 2.8/8372=41...(17) HE3 LYS 12 - H ASP 11 far 0 79 0 - 6.4-9.6 HE2 LYS 33 - H ASP 11 far 0 84 0 - 6.6-11.9 HE2 LYS 12 - H ASP 11 far 0 98 0 - 6.7-9.3 HE3 LYS 33 - H ASP 11 far 0 84 0 - 7.1-11.0 HB2 SER 9 - H ALA 18 far 0 64 0 - 7.7-8.9 HE3 LYS 13 - H ASP 11 far 0 65 0 - 7.7-10.9 HE2 LYS 13 - H ASP 11 far 0 70 0 - 8.0-11.2 HB3 ASP 11 - H ALA 18 far 0 64 0 - 8.0-9.4 HE2 LYS 13 - H ALA 18 far 0 37 0 - 8.2-12.2 HE2 LYS 12 - H ALA 18 far 0 59 0 - 8.4-12.4 HE3 LYS 12 - H ALA 18 far 0 43 0 - 9.2-12.8 HE3 LYS 13 - H ALA 18 far 0 35 0 - 9.5-12.1 HE3 LYS 24 - H ALA 18 far 0 40 0 - 9.5-14.9 Violated in 2 structures by 0.01 A. Peak 6145 from nnoeabs.peaks (8.56, 8.67, 122.72 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 12 + H ASP 11 OK 98 100 100 98 4.0-4.2 369/3.0=75, 4.7=59...(10) H LYS 12 - H ALA 18 far 0 64 0 - 9.3-9.8 Violated in 20 structures by 0.22 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 4.0-4.2 4.7=100 H ASN 10 + H LYS 12 OK 30 73 45 92 5.7-6.2 4.6/6145=64...(7) H ALA 18 - H LYS 12 far 0 94 0 - 9.3-9.8 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 2.2-2.2 369=100, 3.0/6145=36...(9) HA ILE 8 - H LYS 12 far 0 96 0 - 9.6-10.3 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 4.2-4.7 4.5=100 HG3 GLU 17 - H LYS 12 far 0 100 0 - 8.7-10.4 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 3.8-4.5 4.5=100 HE2 LYS 12 + H LYS 12 OK 98 98 100 100 3.5-5.5 464/6155=81, 463/415=75...(17) HE3 LYS 12 + H LYS 12 OK 71 79 90 100 4.2-6.3 4.0/6155=80, 4.0/415=73...(17) HB2 SER 9 + H LYS 12 OK 55 100 70 79 5.8-7.7 6144/6145=36...(7) HE3 LYS 13 - H LYS 12 poor 16 65 25 - 5.2-9.1 HE2 LYS 13 - H LYS 12 poor 14 70 20 - 5.3-9.7 HE2 LYS 33 - H LYS 12 far 0 84 0 - 7.0-12.6 HE3 LYS 33 - H LYS 12 far 0 84 0 - 7.4-11.5 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 4 assignments used, quality = 1.00: HB3 LYS 12 + H LYS 12 OK 98 100 100 98 2.1-2.7 4.0=50, 3.0/6155=41...(18) * HB2 LYS 12 + H LYS 12 OK 97 100 100 97 3.4-3.6 4.0=50, 3.0/6155=41...(15) HB3 LEU 14 - H LYS 12 far 0 61 0 - 5.5-6.0 HB2 ARG 19 - H LYS 12 far 0 81 0 - 9.9-12.6 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 4 assignments used, quality = 1.00: * HB3 LYS 12 + H LYS 12 OK 98 100 100 98 2.1-2.7 4.0=50, 3.0/6155=41...(18) HB2 LYS 12 + H LYS 12 OK 97 100 100 98 3.4-3.6 4.0=50, 3.0/6155=41...(15) HB3 LEU 14 - H LYS 12 far 0 65 0 - 5.5-6.0 HB2 ARG 19 - H LYS 12 far 0 84 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (1.45, 8.56, 125.74 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 12 + H LYS 12 OK 100 100 100 100 2.0-4.4 415=100, 1.8/6155=88...(20) HG2 LYS 13 - H LYS 12 poor 19 96 20 - 4.3-7.1 Violated in 2 structures by 0.01 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 2.1-3.8 426=88, 1.8/415=61...(20) HG2 ARG 19 - H LYS 12 far 0 99 0 - 9.3-12.7 Violated in 2 structures by 0.01 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: HD3 LYS 12 + H LYS 12 OK 100 100 100 100 2.0-5.1 3.0/6155=77, 3.0/415=69...(20) * HD2 LYS 12 + H LYS 12 OK 100 100 100 100 2.5-5.3 3.0/6155=77, 3.0/415=69...(20) HB ILE 15 + H LYS 12 OK 78 79 100 99 4.7-5.2 3.2/8380=64, 644/2.9=57...(10) HD3 LYS 13 + H LYS 12 OK 22 100 40 55 4.0-7.9 6.0/6163=37, 448=9...(6) HD2 LYS 13 - H LYS 12 far 15 100 15 - 4.2-7.5 HG12 ILE 15 - H LYS 12 far 0 100 0 - 5.7-6.9 HD2 LYS 33 - H LYS 12 far 0 87 0 - 8.8-11.8 HD3 LYS 33 - H LYS 12 far 0 87 0 - 9.0-11.5 HG2 PRO 86 - H LYS 12 far 0 99 0 - 9.4-11.4 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: * HD3 LYS 12 + H LYS 12 OK 100 100 100 100 2.0-5.1 3.0/6155=77, 3.0/415=69...(20) HD2 LYS 12 + H LYS 12 OK 100 100 100 100 2.5-5.3 3.0/6155=77, 3.0/415=69...(20) HB ILE 15 + H LYS 12 OK 78 79 100 99 4.7-5.2 3.2/8380=64, 644/2.9=57...(10) HD3 LYS 13 + H LYS 12 OK 22 100 40 55 4.0-7.9 6.0/6163=37, 448=9...(6) HD2 LYS 13 - H LYS 12 far 15 100 15 - 4.2-7.5 HG12 ILE 15 - H LYS 12 far 0 100 0 - 5.7-6.9 HD2 LYS 33 - H LYS 12 far 0 87 0 - 8.8-11.8 HD3 LYS 33 - H LYS 12 far 0 87 0 - 9.0-11.5 HG2 PRO 86 - H LYS 12 far 0 99 0 - 9.4-11.4 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 3.5-5.5 464/6155=83, 463/415=77...(17) HB3 ASP 11 + H LYS 12 OK 98 98 100 100 3.8-4.5 4.5=100 HB2 SER 9 + H LYS 12 OK 52 96 70 78 5.8-7.7 6144/6145=34...(7) HE2 LYS 33 - H LYS 12 far 0 98 0 - 7.0-12.6 HE3 LYS 33 - H LYS 12 far 0 98 0 - 7.4-11.5 Violated in 0 structures by 0.00 A. Peak 6159 from nnoeabs.peaks (2.96, 8.56, 125.74 ppm; 5.67 A): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 12 + H LYS 12 OK 100 100 100 100 4.2-6.3 4.0/6155=87, 4.0/415=81...(17) HB3 ASP 11 + H LYS 12 OK 79 79 100 100 3.8-4.5 4.5=100 HB2 ASN 10 + H LYS 12 OK 51 63 85 94 5.6-6.7 4.6/6145=76, 8355/369=37...(5) HB2 SER 9 + H LYS 12 OK 44 84 70 74 5.8-7.7 8445/8380=28...(7) HE3 LYS 13 + H LYS 12 OK 34 100 55 62 5.2-9.1 7.3/6163=44, 2.9/448=12...(6) HE2 LYS 13 + H LYS 12 OK 24 100 40 60 5.3-9.7 7.3/6163=44, 2.9/448=12...(5) Violated in 0 structures by 0.00 A. Peak 6160 from nnoeabs.peaks (8.07, 8.56, 125.74 ppm; 3.70 A): 1 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...(17) H ILE 15 - H LYS 12 far 0 100 0 - 4.8-5.1 H GLU 17 - H LYS 12 far 0 98 0 - 7.7-8.6 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 4.3-4.7 6185=100, 6182/6163=98...(12) 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 = 0.99: * H LYS 12 + H LYS 13 OK 99 100 100 99 2.8-2.9 6160=81, 3.6/8390=31...(16) 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 = 0.97: HB3 LYS 12 + H LYS 13 OK 85 100 100 85 2.8-3.1 4.2=37, 4.0/6163=30...(12) * HB2 LYS 12 + H LYS 13 OK 79 100 95 84 3.3-4.0 4.2=37, 4.0/6163=30...(10) HB3 LEU 14 - H LYS 13 far 0 61 0 - 4.7-5.3 HB2 ARG 19 - H LYS 13 far 0 81 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 6166 from nnoeabs.peaks (1.87, 8.07, 119.60 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.97: * HB3 LYS 12 + H LYS 13 OK 85 100 100 85 2.8-3.1 4.2=37, 4.0/6163=30...(12) HB2 LYS 12 + H LYS 13 OK 79 100 95 84 3.3-4.0 4.2=37, 4.0/6163=30...(10) HB3 LEU 14 - H LYS 13 far 0 65 0 - 4.7-5.3 HB2 ARG 19 - H LYS 13 far 0 84 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 6167 from nnoeabs.peaks (1.45, 8.07, 119.60 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.96: HG2 LYS 13 + H LYS 13 OK 96 96 100 100 2.3-4.4 517=94, 1.8/528=65...(23) ! HG2 LYS 12 - H LYS 13 poor 20 100 20 98 4.4-5.3 384/3.6=59, 415/6163=48...(9) Violated in 3 structures by 0.03 A. Peak 6168 from nnoeabs.peaks (1.59, 8.07, 119.60 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 12 + H LYS 13 OK 100 100 100 100 4.5-5.2 6155/6163=83, 385/3.6=66...(9) HG2 ARG 19 - H LYS 13 far 0 99 0 - 8.7-11.6 Violated in 7 structures by 0.01 A. Peak 6169 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.2-4.8 3.0/6177=66, 3.0/6176=63...(31) HD3 LYS 13 + H LYS 13 OK 95 100 95 100 2.2-5.2 3.0/6177=66, 3.0/6176=63...(31) HB ILE 15 - H LYS 13 far 12 79 15 - 4.8-5.1 HD3 LYS 12 - H LYS 13 far 10 100 10 - 4.5-6.6 ! HD2 LYS 12 - H LYS 13 far 5 100 5 - 4.9-6.7 HG12 ILE 15 - H LYS 13 far 0 100 0 - 6.7-7.5 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.1-9.0 HD3 LYS 20 - H LYS 13 far 0 84 0 - 8.8-12.4 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.9-11.7 HG3 LYS 20 - H LYS 13 far 0 84 0 - 9.7-13.2 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-15.1 Violated in 5 structures by 0.04 A. Peak 6170 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.2-4.8 3.0/6177=66, 3.0/6176=63...(31) HD3 LYS 13 + H LYS 13 OK 95 100 95 100 2.2-5.2 3.0/6177=66, 3.0/6176=63...(31) HB ILE 15 - H LYS 13 far 12 79 15 - 4.8-5.1 ! HD3 LYS 12 - H LYS 13 far 10 100 10 - 4.5-6.6 HD2 LYS 12 - H LYS 13 far 5 100 5 - 4.9-6.7 HG12 ILE 15 - H LYS 13 far 0 100 0 - 6.7-7.5 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.1-9.0 HD3 LYS 20 - H LYS 13 far 0 84 0 - 8.8-12.4 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.9-11.7 HG3 LYS 20 - H LYS 13 far 0 84 0 - 9.7-13.2 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-15.1 Violated in 5 structures by 0.04 A. Peak 6171 from nnoeabs.peaks (3.01, 8.07, 119.60 ppm; 5.47 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 11 + H LYS 13 OK 97 98 100 100 2.9-4.6 3.0/8390=82, 4.5/6163=80...(13) * HE2 LYS 12 + H LYS 13 OK 50 100 50 99 5.1-7.2 460/3.6=72, 464/6168=69...(8) HB2 SER 9 - H LYS 13 far 0 96 0 - 6.6-8.3 HE2 LYS 33 - H LYS 13 far 0 98 0 - 9.4-15.1 HE3 LYS 33 - H LYS 13 far 0 98 0 - 9.5-14.1 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: HE3 LYS 13 + H LYS 13 OK 95 100 95 100 3.9-6.4 3.8/6177=83, 3.8/6176=81...(27) HE2 LYS 13 + H LYS 13 OK 90 100 90 100 4.2-6.9 3.8/6177=83, 3.8/6176=81...(26) HB3 ASP 11 + H LYS 13 OK 79 79 100 100 2.9-4.6 3.0/8390=79, 4.5/6163=77...(13) * HE3 LYS 12 + H LYS 13 OK 29 100 30 98 5.1-7.7 4.0/6168=63...(8) HB2 SER 9 - H LYS 13 far 0 84 0 - 6.6-8.3 HB2 ASN 10 - H LYS 13 far 0 63 0 - 7.7-8.6 HE3 LYS 90 - H LYS 13 far 0 79 0 - 8.4-14.4 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 1 assignment used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 100 100 2.8-2.8 2.9=100 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: * HB2 LYS 13 + H LYS 13 OK 96 100 100 96 2.1-3.6 495=41, 3.0/6177=32...(22) HB3 LYS 13 + H LYS 13 OK 96 100 100 96 2.7-3.6 506=41, 3.0/6177=32...(20) HB3 LEU 14 - H LYS 13 far 0 97 0 - 4.7-5.3 HB2 GLU 17 - H LYS 13 far 0 85 0 - 8.2-9.5 HB2 ARG 19 - H LYS 13 far 0 87 0 - 9.1-11.8 HB3 ARG 19 - H LYS 13 far 0 98 0 - 9.4-11.7 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: HB2 LYS 13 + H LYS 13 OK 96 100 100 96 2.1-3.6 495=41, 3.0/6177=32...(22) * HB3 LYS 13 + H LYS 13 OK 96 100 100 96 2.7-3.6 506=41, 3.0/6177=32...(20) HB3 LEU 14 - H LYS 13 far 0 98 0 - 4.7-5.3 HB2 GLU 17 - H LYS 13 far 0 82 0 - 8.2-9.5 HB2 ARG 19 - H LYS 13 far 0 90 0 - 9.1-11.8 HB3 ARG 19 - H LYS 13 far 0 96 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 6176 from nnoeabs.peaks (1.43, 8.07, 119.60 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 13 + H LYS 13 OK 100 100 100 100 2.3-4.4 517=99, 1.8/528=65...(23) HG2 LYS 12 - H LYS 13 poor 19 96 20 - 4.4-5.3 Violated in 3 structures by 0.03 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 1.9-3.7 1.8/517=69, 528=68...(22) HB2 LEU 14 - H LYS 13 far 0 85 0 - 5.0-5.5 Violated in 3 structures by 0.00 A. Peak 6178 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.2-4.8 3.0/6177=66, 3.0/6176=63...(31) HD3 LYS 13 + H LYS 13 OK 95 100 95 100 2.2-5.2 3.0/6177=66, 3.0/6176=63...(31) HB ILE 15 - H LYS 13 far 12 79 15 - 4.8-5.1 HD3 LYS 12 - H LYS 13 far 10 100 10 - 4.5-6.6 HD2 LYS 12 - H LYS 13 far 5 100 5 - 4.9-6.7 HG12 ILE 15 - H LYS 13 far 0 100 0 - 6.7-7.5 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.1-9.0 HD3 LYS 20 - H LYS 13 far 0 84 0 - 8.8-12.4 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.9-11.7 HG3 LYS 20 - H LYS 13 far 0 84 0 - 9.7-13.2 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-15.1 Violated in 5 structures by 0.04 A. Peak 6179 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.2-4.8 3.0/6177=66, 3.0/6176=63...(31) * HD3 LYS 13 + H LYS 13 OK 95 100 95 100 2.2-5.2 3.0/6177=66, 3.0/6176=63...(31) HB ILE 15 - H LYS 13 far 12 82 15 - 4.8-5.1 HD3 LYS 12 - H LYS 13 far 10 100 10 - 4.5-6.6 HD2 LYS 12 - H LYS 13 far 5 100 5 - 4.9-6.7 HG12 ILE 15 - H LYS 13 far 0 99 0 - 6.7-7.5 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.1-9.0 HD3 LYS 20 - H LYS 13 far 0 81 0 - 8.8-12.4 HD2 LYS 20 - H LYS 13 far 0 85 0 - 8.9-11.7 HG3 LYS 20 - H LYS 13 far 0 81 0 - 9.7-13.2 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-15.1 Violated in 5 structures by 0.04 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: HE3 LYS 13 + H LYS 13 OK 95 100 95 100 3.9-6.4 3.8/6177=83, 3.8/6176=81...(27) * HE2 LYS 13 + H LYS 13 OK 90 100 90 100 4.2-6.9 3.8/6177=83, 3.8/6176=81...(26) HB3 ASP 11 + H LYS 13 OK 69 70 100 100 2.9-4.6 3.0/8390=79, 4.5/6163=77...(13) HE3 LYS 12 + H LYS 13 OK 29 100 30 98 5.1-7.7 4.0/6168=63...(8) HB2 SER 9 - H LYS 13 far 0 75 0 - 6.6-8.3 HB2 ASN 10 - H LYS 13 far 0 73 0 - 7.7-8.6 HE3 LYS 90 - H LYS 13 far 0 87 0 - 8.4-14.4 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: * HE3 LYS 13 + H LYS 13 OK 95 100 95 100 3.9-6.4 3.8/6177=83, 3.8/6176=81...(27) HE2 LYS 13 + H LYS 13 OK 90 100 90 100 4.2-6.9 3.8/6177=83, 3.8/6176=81...(26) HB3 ASP 11 + H LYS 13 OK 65 65 100 100 2.9-4.6 3.0/8390=79, 4.5/6163=77...(13) HE3 LYS 12 + H LYS 13 OK 29 100 30 98 5.1-7.7 4.0/6168=63...(8) HB2 SER 9 - H LYS 13 far 0 71 0 - 6.6-8.3 HB2 ASN 10 - H LYS 13 far 0 77 0 - 7.7-8.6 HE3 LYS 90 - H LYS 13 far 0 90 0 - 8.4-14.4 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 = 0.93: * H LEU 14 + H LYS 13 OK 93 100 100 93 2.6-2.9 6187=50, 6191/6176=22...(15) 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 4.3-4.7 6163/6182=95, 6161=84...(11) 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 4.1-4.5 3.6/6182=94...(12) 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 ILE 15 + H LEU 14 OK 98 100 100 98 2.5-2.8 6209=67, 6219/6193=31...(17) * H LYS 13 + H LEU 14 OK 97 100 100 97 2.6-2.9 6182=83, 6176/6191=19...(15) H GLU 17 - H LEU 14 far 0 98 0 - 4.7-5.2 H LYS 90 - H LEU 14 far 0 79 0 - 8.5-10.7 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 3.5-3.6 3.6=100 HB2 SER 59 - H LEU 14 far 0 100 0 - 8.3-10.2 HB3 SER 85 - H LEU 14 far 0 65 0 - 8.6-9.8 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 8 assignments used, quality = 1.00: HB3 LEU 14 + H LEU 14 OK 95 97 100 98 2.2-2.8 602=55, 1.8/594=53...(23) * HB2 LYS 13 + H LEU 14 OK 93 100 100 93 2.4-3.8 505=33, 4.0/6182=32...(20) HB3 LYS 13 + H LEU 14 OK 92 100 100 92 2.5-3.8 505=33, 4.0/6182=32...(18) HB2 GLU 17 - H LEU 14 far 0 85 0 - 6.4-7.7 HB2 ARG 19 - H LEU 14 far 0 87 0 - 8.4-11.1 HB3 ARG 19 - H LEU 14 far 0 98 0 - 8.8-11.1 HB3 LYS 20 - H LEU 14 far 0 94 0 - 9.6-11.4 HB2 LYS 20 - H LEU 14 far 0 82 0 - 9.9-13.0 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 8 assignments used, quality = 1.00: HB3 LEU 14 + H LEU 14 OK 96 98 100 98 2.2-2.8 602=56, 1.8/594=53...(23) HB2 LYS 13 + H LEU 14 OK 93 100 100 93 2.4-3.8 516=33, 4.0/6182=32...(20) * HB3 LYS 13 + H LEU 14 OK 92 100 100 92 2.5-3.8 516=33, 4.0/6182=32...(18) HB2 GLU 17 - H LEU 14 far 0 82 0 - 6.4-7.7 HB2 ARG 19 - H LEU 14 far 0 90 0 - 8.4-11.1 HB3 ARG 19 - H LEU 14 far 0 96 0 - 8.8-11.1 HB3 LYS 20 - H LEU 14 far 0 92 0 - 9.6-11.4 HB2 LYS 20 - H LEU 14 far 0 85 0 - 9.9-13.0 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 4.0-5.0 6176/6182=78, 518/3.6=71...(15) HG2 LYS 12 - H LEU 14 far 0 96 0 - 6.2-7.1 HG12 ILE 7 - H LEU 14 far 0 100 0 - 8.0-8.7 HG2 LYS 20 - H LEU 14 far 0 82 0 - 9.5-12.2 Violated in 15 structures by 0.05 A. Peak 6192 from nnoeabs.peaks (1.50, 7.55, 122.27 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.95: HB2 LEU 14 + H LEU 14 OK 85 85 100 100 2.3-2.8 3.8=85, 1.8/602=73...(22) * HG3 LYS 13 + H LEU 14 OK 68 100 70 97 3.9-5.0 6177/6182=53, 486/3.6=51...(16) HB ILE 7 - H LEU 14 far 0 85 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 6193 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 3.97 A): 1 out of 12 assignments used, quality = 0.77: HB ILE 15 + H LEU 14 OK 77 79 100 98 4.4-4.8 6219/6209=69...(12) ! HD2 LYS 13 - H LEU 14 far 15 100 15 - 4.1-6.0 HD3 LYS 13 - H LEU 14 far 10 100 10 - 4.4-6.1 HG2 PRO 86 - H LEU 14 far 0 99 0 - 5.2-6.9 HD2 LYS 12 - H LEU 14 far 0 100 0 - 5.9-8.8 HG12 ILE 15 - H LEU 14 far 0 100 0 - 6.2-6.5 HD3 LYS 12 - H LEU 14 far 0 100 0 - 6.3-8.6 HD3 LYS 90 - H LEU 14 far 0 100 0 - 7.7-12.6 HD3 LYS 20 - H LEU 14 far 0 84 0 - 8.2-12.2 HD2 LYS 20 - H LEU 14 far 0 88 0 - 8.5-11.4 HD2 LYS 90 - H LEU 14 far 0 59 0 - 8.6-12.5 HG3 LYS 20 - H LEU 14 far 0 84 0 - 9.1-12.5 Violated in 20 structures by 0.68 A. Peak 6194 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 3.97 A): 1 out of 12 assignments used, quality = 0.80: HB ILE 15 + H LEU 14 OK 80 82 100 98 4.4-4.8 6219/6209=68...(12) HD2 LYS 13 - H LEU 14 far 15 100 15 - 4.1-6.0 ! HD3 LYS 13 - H LEU 14 far 10 100 10 - 4.4-6.1 HG2 PRO 86 - H LEU 14 far 0 99 0 - 5.2-6.9 HD2 LYS 12 - H LEU 14 far 0 100 0 - 5.9-8.8 HG12 ILE 15 - H LEU 14 far 0 99 0 - 6.2-6.5 HD3 LYS 12 - H LEU 14 far 0 100 0 - 6.3-8.6 HD3 LYS 90 - H LEU 14 far 0 100 0 - 7.7-12.6 HD3 LYS 20 - H LEU 14 far 0 81 0 - 8.2-12.2 HD2 LYS 20 - H LEU 14 far 0 85 0 - 8.5-11.4 HD2 LYS 90 - H LEU 14 far 0 63 0 - 8.6-12.5 HG3 LYS 20 - H LEU 14 far 0 81 0 - 9.1-12.5 Violated in 20 structures by 0.68 A. Peak 6195 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.47 A): 2 out of 7 assignments used, quality = 0.78: HB3 ASP 11 + H LEU 14 OK 69 70 100 99 2.4-3.1 1.8/8377=55, 3.0/8419=41...(20) HB2 SER 9 + H LEU 14 OK 29 75 45 87 4.9-6.5 8414/626=33, 8405/602=26...(14) ! HE2 LYS 13 - H LEU 14 far 0 100 0 - 5.4-7.5 HE3 LYS 13 - H LEU 14 far 0 100 0 - 5.5-7.3 HE3 LYS 90 - H LEU 14 far 0 87 0 - 6.2-12.0 HE3 LYS 12 - H LEU 14 far 0 100 0 - 7.4-9.6 HB2 ASN 10 - H LEU 14 far 0 73 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.47 A): 2 out of 7 assignments used, quality = 0.74: HB3 ASP 11 + H LEU 14 OK 65 65 100 99 2.4-3.1 1.8/8377=55, 3.0/8419=41...(20) HB2 SER 9 + H LEU 14 OK 27 71 45 84 4.9-6.5 8414/626=31, 8405/602=26...(13) HE2 LYS 13 - H LEU 14 far 0 100 0 - 5.4-7.5 ! HE3 LYS 13 - H LEU 14 far 0 100 0 - 5.5-7.3 HE3 LYS 90 - H LEU 14 far 0 90 0 - 6.2-12.0 HE3 LYS 12 - H LEU 14 far 0 100 0 - 7.4-9.6 HB2 ASN 10 - H LEU 14 far 0 77 0 - 8.0-8.5 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 2.8-2.9 3.0=100 HA LYS 90 - H LEU 14 far 0 98 0 - 9.7-12.0 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 3 assignments used, quality = 1.00: * HB2 LEU 14 + H LEU 14 OK 100 100 100 100 2.3-2.8 594=79, 1.8/602=61...(22) HG3 LYS 13 + H LEU 14 OK 47 85 60 92 3.9-5.0 486/3.6=36, 1.8/6191=34...(16) HB ILE 7 - H LEU 14 far 0 100 0 - 8.7-9.3 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 10 assignments used, quality = 1.00: * HB3 LEU 14 + H LEU 14 OK 98 100 100 98 2.2-2.8 602=55, 1.8/594=51...(23) HB2 LYS 13 + H LEU 14 OK 89 97 100 92 2.4-3.8 516=31, 4.0/6182=31...(20) HB3 LYS 13 + H LEU 14 OK 89 98 100 90 2.5-3.8 4.0/6182=31, 516=31...(18) HB3 LYS 12 - H LEU 14 far 0 65 0 - 5.2-5.6 HB2 LYS 12 - H LEU 14 far 0 61 0 - 5.3-5.9 HB2 GLU 17 - H LEU 14 far 0 59 0 - 6.4-7.7 HB2 ARG 19 - H LEU 14 far 0 99 0 - 8.4-11.1 HB3 ARG 19 - H LEU 14 far 0 82 0 - 8.8-11.1 HB3 LYS 20 - H LEU 14 far 0 73 0 - 9.6-11.4 HB2 LYS 20 - H LEU 14 far 0 98 0 - 9.9-13.0 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 4.3-4.5 610=78, 2.1/626=74...(20) QB ALA 89 - H LEU 14 far 0 99 0 - 6.0-6.9 Violated in 20 structures by 0.20 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 4.0-4.3 2.1/626=69, 2.1/6200=67...(23) QD2 LEU 14 + H LEU 14 OK 75 75 100 100 4.0-4.3 2.1/6200=67, 3.1/594=66...(27) QD2 LEU 29 - H LEU 14 far 0 68 0 - 8.2-9.4 QD1 LEU 29 - H LEU 14 far 0 87 0 - 8.4-9.2 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 4.0-4.3 626=81, 2.1/6200=61...(27) QD1 LEU 14 + H LEU 14 OK 75 75 100 100 4.0-4.3 2.1/626=63, 2.1/6200=61...(22) 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 ILE 15 + H LEU 14 OK 98 100 100 98 2.5-2.8 6209=67, 6219/6193=31...(17) H LYS 13 + H LEU 14 OK 97 100 100 97 2.6-2.9 6182=83, 6176/6191=19...(15) H GLU 17 - H LEU 14 far 0 99 0 - 4.7-5.2 H LYS 90 - H LEU 14 far 0 81 0 - 8.5-10.7 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 4.0-4.6 6227=71, 6226/3.6=58...(14) H LYS 90 - H LEU 14 far 0 77 0 - 8.5-10.7 Violated in 18 structures by 0.20 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 3.1-3.4 644/6217=62, 391=50...(11) HA LYS 12 - H GLU 17 far 0 93 0 - 5.9-6.9 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 4 assignments used, quality = 0.99: * HA LYS 13 + H ILE 15 OK 92 100 100 92 4.2-4.7 3.6/6209=64, 6226/4.6=45...(6) HA LYS 13 + H GLU 17 OK 87 93 100 93 3.8-4.6 493/702=60, 6226/4.6=45...(8) HB2 SER 59 - H ILE 15 far 0 100 0 - 8.2-10.7 HB3 SER 85 - H GLU 17 far 0 56 0 - 9.5-11.7 Violated in 1 structures by 0.00 A. Peak 6209 from nnoeabs.peaks (7.55, 8.07, 118.21 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 14 + H ILE 15 OK 99 100 100 99 2.5-2.8 6203=50, 6193/6219=41...(17) H LEU 14 - H GLU 17 far 0 93 0 - 4.7-5.2 H GLU 88 - H GLU 17 far 0 83 0 - 8.8-10.9 H GLU 88 - H ILE 15 far 0 93 0 - 9.9-11.1 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 86 93 100 92 3.5-3.9 593/6256=36...(11) HA LYS 90 - H GLU 17 far 0 89 0 - 6.4-9.2 HA LYS 90 - H ILE 15 far 0 98 0 - 8.8-11.3 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 9 assignments used, quality = 1.00: * HB2 LEU 14 + H ILE 15 OK 100 100 100 100 2.6-3.9 601=83, 1.8/609=69...(18) HB2 LEU 14 - H GLU 17 far 0 93 0 - 5.6-6.2 HG3 LYS 13 - H GLU 17 far 0 75 0 - 5.7-7.5 HG3 LYS 13 - H ILE 15 far 0 85 0 - 5.7-6.9 HB ILE 7 - H ILE 15 far 0 100 0 - 6.5-7.3 HB ILE 7 - H GLU 17 far 0 93 0 - 8.1-8.8 HG LEU 57 - H ILE 15 far 0 91 0 - 8.9-10.3 HG LEU 57 - H GLU 17 far 0 81 0 - 9.4-11.2 HG3 LYS 33 - H ILE 15 far 0 94 0 - 9.5-11.1 Violated in 19 structures by 0.07 A. Peak 6212 from nnoeabs.peaks (1.90, 8.07, 118.21 ppm; 3.24 A): 2 out of 21 assignments used, quality = 1.00: * HB3 LEU 14 + H ILE 15 OK 99 100 100 99 2.5-3.5 1.8/6211=55, 609=54...(22) HB2 GLU 17 + H GLU 17 OK 49 51 100 96 3.5-3.6 4.0=52, 3.0/758=42...(12) HB2 LYS 13 - H ILE 15 far 0 97 0 - 4.8-5.7 HB3 LYS 20 - H GLU 17 far 0 63 0 - 4.9-6.5 HB3 LYS 13 - H ILE 15 far 0 98 0 - 4.9-5.9 HB2 LYS 20 - H GLU 17 far 0 89 0 - 4.9-8.0 HB2 LYS 12 - H ILE 15 far 0 61 0 - 4.9-5.3 HB3 ARG 19 - H GLU 17 far 0 72 0 - 4.9-7.3 HB3 LYS 13 - H GLU 17 far 0 89 0 - 5.0-6.1 HB2 ARG 19 - H GLU 17 far 0 91 0 - 5.1-7.4 HB3 LYS 12 - H ILE 15 far 0 65 0 - 5.4-5.8 HB2 LYS 13 - H GLU 17 far 0 88 0 - 5.6-6.6 HB3 LEU 14 - H GLU 17 far 0 93 0 - 5.7-6.0 HB2 LYS 12 - H GLU 17 far 0 52 0 - 6.2-7.5 HB2 ARG 19 - H ILE 15 far 0 99 0 - 6.2-9.2 HB2 GLU 17 - H ILE 15 far 0 59 0 - 6.6-7.5 HB3 ARG 19 - H ILE 15 far 0 82 0 - 6.7-9.1 HB3 LYS 12 - H GLU 17 far 0 56 0 - 7.3-8.4 HB3 LYS 20 - H ILE 15 far 0 73 0 - 8.7-10.6 HB2 LYS 20 - H ILE 15 far 0 98 0 - 9.0-12.1 HB ILE 8 - H ILE 15 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 6213 from nnoeabs.peaks (1.35, 8.07, 118.21 ppm; 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 14 + H ILE 15 OK 100 100 100 100 3.7-4.9 2.1/6215=88, 3.0/6211=72...(17) HG LEU 14 - H GLU 17 far 9 93 10 - 5.0-5.9 QB ALA 89 - H GLU 17 far 0 90 0 - 5.3-6.3 QB ALA 89 - H ILE 15 far 0 99 0 - 5.5-6.3 HG12 ILE 8 - H ILE 15 far 0 98 0 - 9.8-10.7 Violated in 14 structures by 0.22 A. Peak 6214 from nnoeabs.peaks (0.68, 8.07, 118.21 ppm; 3.95 A): 2 out of 10 assignments used, quality = 0.81: QD2 LEU 14 + H ILE 15 OK 75 75 100 100 2.9-3.7 633=67, 2.1/6213=61...(21) * QD1 LEU 14 + H ILE 15 OK 25 100 25 100 4.7-5.0 2.1/633=74, 2.1/6213=61...(19) QD2 LEU 14 - H GLU 17 far 0 65 0 - 5.1-6.1 QD1 LEU 14 - H GLU 17 far 0 93 0 - 5.5-6.7 QD2 LEU 29 - H GLU 17 far 0 58 0 - 6.1-7.1 QD2 LEU 29 - H ILE 15 far 0 68 0 - 6.1-7.3 QD1 LEU 29 - H GLU 17 far 0 76 0 - 6.2-6.9 QD1 LEU 29 - H ILE 15 far 0 87 0 - 6.5-7.4 QD1 ILE 8 - H ILE 15 far 0 73 0 - 9.4-10.6 QD2 LEU 6 - H ILE 15 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 6215 from nnoeabs.peaks (0.71, 8.07, 118.21 ppm; 3.58 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 14 + H ILE 15 OK 100 100 100 100 2.9-3.7 633=82, 12020/3.0=58...(21) QD1 LEU 14 - H ILE 15 far 0 75 0 - 4.7-5.0 QD2 LEU 14 - H GLU 17 far 0 93 0 - 5.1-6.1 QD1 LEU 14 - H GLU 17 far 0 65 0 - 5.5-6.7 HG13 ILE 93 - H GLU 17 far 0 58 0 - 8.5-10.9 QG1 VAL 5 - H ILE 15 far 0 94 0 - 8.6-9.8 QG1 VAL 5 - H GLU 17 far 0 84 0 - 8.7-10.0 QD1 ILE 8 - H ILE 15 far 0 100 0 - 9.4-10.6 QG1 VAL 58 - H ILE 15 far 0 98 0 - 9.5-10.6 QD2 LEU 6 - H ILE 15 far 0 90 0 - 9.7-11.2 Violated in 7 structures by 0.03 A. Peak 6216 from nnoeabs.peaks (3.26, 8.07, 118.21 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 15 + H ILE 15 OK 100 100 100 100 2.8-2.9 3.0=100 HA ILE 15 - H GLU 17 far 0 93 0 - 4.5-5.0 Violated in 0 structures by 0.00 A. Peak 6217 from nnoeabs.peaks (1.73, 8.07, 118.21 ppm; 2.90 A): 1 out of 20 assignments used, quality = 0.98: * HB ILE 15 + H ILE 15 OK 98 100 100 98 2.2-2.5 645=60, 2.1/6218=51...(19) HG12 ILE 15 - H ILE 15 far 0 65 0 - 3.9-4.2 HD2 LYS 13 - H GLU 17 far 0 69 0 - 4.2-8.0 HG3 ARG 19 - H GLU 17 far 0 65 0 - 4.4-5.8 HD3 LYS 13 - H GLU 17 far 0 72 0 - 4.9-8.1 HB ILE 15 - H GLU 17 far 0 93 0 - 4.9-5.5 HD2 LYS 12 - H ILE 15 far 0 79 0 - 5.3-8.2 HD3 LYS 12 - H ILE 15 far 0 79 0 - 5.3-8.0 HD3 LYS 90 - H GLU 17 far 0 62 0 - 5.4-9.6 HG3 ARG 19 - H ILE 15 far 0 75 0 - 5.6-7.7 HG2 PRO 86 - H GLU 17 far 0 54 0 - 5.8-8.2 HD2 LYS 13 - H ILE 15 far 0 79 0 - 5.8-7.8 HD2 LYS 90 - H GLU 17 far 0 91 0 - 6.0-8.9 HD3 LYS 13 - H ILE 15 far 0 82 0 - 6.0-8.0 HD2 LYS 12 - H GLU 17 far 0 69 0 - 6.9-10.8 HD3 LYS 12 - H GLU 17 far 0 69 0 - 7.0-10.7 HG12 ILE 15 - H GLU 17 far 0 56 0 - 7.0-7.5 HG2 PRO 86 - H ILE 15 far 0 63 0 - 7.1-8.5 HD3 LYS 90 - H ILE 15 far 0 71 0 - 7.8-12.5 HD2 LYS 90 - H ILE 15 far 0 99 0 - 8.1-12.3 Violated in 0 structures by 0.00 A. Peak 6218 from nnoeabs.peaks (0.81, 8.07, 118.21 ppm; 3.27 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 15 + H ILE 15 OK 100 100 100 100 3.6-3.8 2.1/6217=73, 653=66...(18) QG2 ILE 7 - H ILE 15 far 0 99 0 - 4.4-4.9 QG2 ILE 15 - H GLU 17 far 0 93 0 - 4.6-5.2 QG2 ILE 7 - H GLU 17 far 0 90 0 - 6.3-7.0 QD1 LEU 57 - H ILE 15 far 0 94 0 - 8.2-10.3 QG2 ILE 8 - H ILE 15 far 0 88 0 - 8.3-9.1 QD2 LEU 57 - H ILE 15 far 0 97 0 - 8.3-10.2 QD1 LEU 57 - H GLU 17 far 0 84 0 - 8.7-11.0 QD2 LEU 57 - H GLU 17 far 0 88 0 - 8.9-11.2 QG2 VAL 32 - H ILE 15 far 0 90 0 - 9.8-10.8 Violated in 20 structures by 0.43 A. Peak 6219 from nnoeabs.peaks (1.69, 8.07, 118.21 ppm; 3.01 A): 1 out of 22 assignments used, quality = 0.64: HB ILE 15 + H ILE 15 OK 64 65 100 98 2.2-2.5 2.1/6218=55, 4.0=44...(19) HD3 LYS 20 - H GLU 17 poor 17 83 20 - 3.4-7.7 ! HG12 ILE 15 - H ILE 15 far 10 100 10 - 3.9-4.2 HD2 LYS 20 - H GLU 17 far 9 86 10 - 3.5-6.7 HG3 LYS 20 - H GLU 17 far 0 83 0 - 4.1-7.6 HD2 LYS 13 - H GLU 17 far 0 92 0 - 4.2-8.0 HD3 LYS 13 - H GLU 17 far 0 91 0 - 4.9-8.1 HB ILE 15 - H GLU 17 far 0 56 0 - 4.9-5.5 HD2 LYS 12 - H ILE 15 far 0 100 0 - 5.3-8.2 HD3 LYS 12 - H ILE 15 far 0 100 0 - 5.3-8.0 HD3 LYS 90 - H GLU 17 far 0 93 0 - 5.4-9.6 HG2 PRO 86 - H GLU 17 far 0 93 0 - 5.8-8.2 HD2 LYS 13 - H ILE 15 far 0 100 0 - 5.8-7.8 HD3 LYS 13 - H ILE 15 far 0 99 0 - 6.0-8.0 HD2 LYS 12 - H GLU 17 far 0 92 0 - 6.9-10.8 HD3 LYS 12 - H GLU 17 far 0 92 0 - 7.0-10.7 HG12 ILE 15 - H GLU 17 far 0 93 0 - 7.0-7.5 HG2 PRO 86 - H ILE 15 far 0 100 0 - 7.1-8.5 HD3 LYS 20 - H ILE 15 far 0 93 0 - 7.6-11.2 HD2 LYS 20 - H ILE 15 far 0 96 0 - 7.7-10.6 HD3 LYS 90 - H ILE 15 far 0 100 0 - 7.8-12.5 HG3 LYS 20 - H ILE 15 far 0 93 0 - 8.1-11.7 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 12 assignments used, quality = 1.00: * HG13 ILE 15 + H ILE 15 OK 99 100 100 99 2.5-3.9 2.9/6217=52, 669=50...(20) QD1 ILE 15 + H ILE 15 OK 99 100 100 99 1.9-3.1 3.2/6217=47, 2.1/669=43...(20) QD1 ILE 15 - H GLU 17 far 0 93 0 - 5.5-6.4 HG13 ILE 15 - H GLU 17 far 0 93 0 - 6.1-7.0 QD1 ILE 93 - H GLU 17 far 0 87 0 - 6.3-7.6 QD1 ILE 93 - H ILE 15 far 0 96 0 - 7.4-8.4 QG2 ILE 8 - H ILE 15 far 0 73 0 - 8.3-9.1 HG13 ILE 93 - H GLU 17 far 0 90 0 - 8.5-10.9 QG1 VAL 5 - H ILE 15 far 0 81 0 - 8.6-9.8 QG2 ILE 93 - H GLU 17 far 0 93 0 - 8.6-9.9 QG1 VAL 5 - H GLU 17 far 0 70 0 - 8.7-10.0 QG1 VAL 58 - H ILE 15 far 0 70 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 6221 from nnoeabs.peaks (0.76, 8.07, 118.21 ppm; 3.07 A): 2 out of 16 assignments used, quality = 1.00: * QD1 ILE 15 + H ILE 15 OK 99 100 100 99 1.9-3.1 3.2/6217=47, 2.1/669=43...(20) HG13 ILE 15 + H ILE 15 OK 99 100 100 99 2.5-3.9 2.9/6217=52, 669=50...(21) QG2 ILE 7 - H ILE 15 far 0 59 0 - 4.4-4.9 QD1 ILE 15 - H GLU 17 far 0 93 0 - 5.5-6.4 HG13 ILE 15 - H GLU 17 far 0 93 0 - 6.1-7.0 QG2 ILE 7 - H GLU 17 far 0 51 0 - 6.3-7.0 QD1 ILE 93 - H GLU 17 far 0 91 0 - 6.3-7.6 QD1 ILE 93 - H ILE 15 far 0 99 0 - 7.4-8.4 QG2 ILE 8 - H ILE 15 far 0 82 0 - 8.3-9.1 QD2 LEU 57 - H ILE 15 far 0 65 0 - 8.3-10.2 HG13 ILE 93 - H GLU 17 far 0 86 0 - 8.5-10.9 QG1 VAL 5 - H ILE 15 far 0 71 0 - 8.6-9.8 QG2 ILE 93 - H GLU 17 far 0 91 0 - 8.6-9.9 QG1 VAL 5 - H GLU 17 far 0 62 0 - 8.7-10.0 QD2 LEU 57 - H GLU 17 far 0 56 0 - 8.9-11.2 QG1 VAL 58 - H ILE 15 far 0 59 0 - 9.5-10.6 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 2.5-2.8 6231/6217=33...(15) H GLU 16 + H GLU 17 OK 78 93 100 83 2.7-2.9 6238/710=27, 6237/702=26...(12) H LYS 90 - H GLU 17 far 0 67 0 - 6.5-8.9 H LYS 90 - H ILE 15 far 0 77 0 - 8.3-10.2 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): 2 out of 5 assignments used, quality = 1.00: * HA LYS 12 + H GLU 16 OK 99 100 100 99 3.3-4.3 644/6231=69...(11) HA GLU 43 + H ARG 46 OK 45 46 100 99 3.0-3.8 1958=74, 3.6/6716=46...(14) HB3 SER 49 - H ARG 46 far 0 65 0 - 5.2-6.8 HA LYS 40 - H ARG 46 far 0 63 0 - 8.1-8.7 HA ALA 71 - H ARG 46 far 0 63 0 - 8.2-9.7 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 3.5-4.1 492=95, 493/6237=55...(10) HA LYS 47 - H ARG 46 far 0 62 0 - 4.9-5.3 Violated in 12 structures by 0.10 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 4.0-4.6 6204=100, 3.6/6226=71...(14) H ILE 76 - H ARG 46 far 0 64 0 - 7.3-9.0 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 4.0-4.9 3.0/6204=94...(7) HA LEU 42 + H ARG 46 OK 53 53 100 100 4.3-5.1 1906/6734=72...(11) HA LYS 90 - H GLU 16 far 0 98 0 - 8.4-11.1 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 5 assignments used, quality = 0.99: * H ILE 15 + H GLU 16 OK 92 100 100 92 2.5-2.8 6217/6231=41...(15) H GLU 17 + H GLU 16 OK 91 99 100 92 2.7-2.9 6250/6237=36...(12) H LYS 13 - H GLU 16 far 0 100 0 - 4.7-4.9 H LYS 90 - H GLU 16 far 0 81 0 - 8.6-10.8 H GLU 75 - H ARG 46 far 0 65 0 - 9.2-10.5 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): 1 out of 10 assignments used, quality = 0.99: * HB ILE 15 + H GLU 16 OK 99 100 100 99 2.4-2.9 652=68, 2.1/660=48...(14) HG3 ARG 19 - H GLU 16 far 11 75 15 - 3.9-5.3 HD2 LYS 12 - H GLU 16 far 0 79 0 - 4.4-8.0 HD3 LYS 12 - H GLU 16 far 0 79 0 - 4.4-8.0 HD2 LYS 13 - H GLU 16 far 0 79 0 - 4.8-8.0 HG12 ILE 15 - H GLU 16 far 0 65 0 - 4.9-5.3 HD3 LYS 13 - H GLU 16 far 0 82 0 - 5.2-7.8 HG2 PRO 86 - H GLU 16 far 0 63 0 - 7.3-9.7 HD3 LYS 90 - H GLU 16 far 0 71 0 - 7.7-11.9 HD2 LYS 90 - H GLU 16 far 0 99 0 - 8.4-11.4 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 2.4-3.4 660=74, 2.1/6231=73...(19) QD1 ILE 76 + H ARG 46 OK 63 63 100 99 2.4-3.9 9630=48, 9639/3.0=46...(23) QG2 ILE 52 - H ARG 46 far 0 42 0 - 4.7-5.8 QG2 ILE 7 - H GLU 16 far 0 99 0 - 5.2-5.7 QD1 LEU 6 - H ARG 46 far 0 32 0 - 7.0-8.7 QD2 LEU 2 - H ARG 46 far 0 65 0 - 7.3-8.9 QD2 LEU 57 - H GLU 16 far 0 97 0 - 9.1-11.3 QD1 LEU 57 - H GLU 16 far 0 94 0 - 9.2-11.3 QD2 LEU 38 - H ARG 46 far 0 61 0 - 9.7-12.1 QD1 LEU 70 - H ARG 46 far 0 64 0 - 10.0-11.8 QG2 VAL 32 - H ARG 46 far 0 53 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 6233 from nnoeabs.peaks (1.69, 8.02, 118.48 ppm; 3.67 A): 1 out of 15 assignments used, quality = 0.65: HB ILE 15 + H GLU 16 OK 65 65 100 100 2.4-2.9 2.1/660=63, 652=56...(14) HD2 LYS 12 - H GLU 16 far 10 100 10 - 4.4-8.0 HD3 LYS 47 - H ARG 46 far 6 61 10 - 4.5-6.9 HD3 LYS 12 - H GLU 16 far 5 100 5 - 4.4-8.0 HD2 LYS 13 - H GLU 16 far 0 100 0 - 4.8-8.0 ! HG12 ILE 15 - H GLU 16 far 0 100 0 - 4.9-5.3 HD2 LYS 47 - H ARG 46 far 0 61 0 - 5.1-6.9 HD2 LYS 20 - H GLU 16 far 0 96 0 - 5.2-8.3 HD3 LYS 13 - H GLU 16 far 0 99 0 - 5.2-7.8 HD3 LYS 20 - H GLU 16 far 0 93 0 - 5.3-8.7 HG3 LYS 20 - H GLU 16 far 0 93 0 - 5.9-9.3 HB ILE 52 - H ARG 46 far 0 52 0 - 6.4-7.8 HG2 PRO 86 - H GLU 16 far 0 100 0 - 7.3-9.7 HD3 LYS 90 - H GLU 16 far 0 100 0 - 7.7-11.9 HB3 LYS 40 - H ARG 46 far 0 63 0 - 9.6-10.7 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: QD1 ILE 15 + H GLU 16 OK 100 100 100 100 4.0-4.3 684=66, 3.2/6231=65...(15) * HG13 ILE 15 + H GLU 16 OK 80 100 80 100 4.5-4.9 2.9/6231=71, 2.1/684=56...(14) QG2 ILE 52 - H ARG 46 far 3 50 5 - 4.7-5.8 QD2 LEU 42 - H ARG 46 far 0 61 0 - 5.2-6.3 QG2 VAL 78 - H ARG 46 far 0 39 0 - 6.3-9.9 QG1 VAL 54 - H ARG 46 far 0 64 0 - 6.4-8.3 QG1 VAL 78 - H ARG 46 far 0 63 0 - 6.5-8.9 QD1 LEU 6 - H ARG 46 far 0 58 0 - 7.0-8.7 QD1 ILE 93 - H GLU 16 far 0 96 0 - 7.2-8.5 QG1 VAL 5 - H GLU 16 far 0 81 0 - 8.8-10.0 QG2 ILE 93 - H GLU 16 far 0 100 0 - 9.7-10.8 Violated in 12 structures by 0.02 A. Peak 6235 from nnoeabs.peaks (0.76, 8.02, 118.48 ppm; 3.87 A): 2 out of 13 assignments used, quality = 1.00: * QD1 ILE 15 + H GLU 16 OK 100 100 100 100 4.0-4.3 684=66, 3.2/6231=65...(15) HG13 ILE 15 + H GLU 16 OK 80 100 80 100 4.5-4.9 2.9/6231=71, 2.1/684=56...(14) QG2 ILE 52 - H ARG 46 far 3 56 5 - 4.7-5.8 QG2 ILE 7 - H GLU 16 far 0 59 0 - 5.2-5.7 QD2 LEU 42 - H ARG 46 far 0 64 0 - 5.2-6.3 QG2 VAL 78 - H ARG 46 far 0 33 0 - 6.3-9.9 QG1 VAL 54 - H ARG 46 far 0 65 0 - 6.4-8.3 QG1 VAL 78 - H ARG 46 far 0 60 0 - 6.5-8.9 QD1 LEU 6 - H ARG 46 far 0 62 0 - 7.0-8.7 QD1 ILE 93 - H GLU 16 far 0 99 0 - 7.2-8.5 QG1 VAL 5 - H GLU 16 far 0 71 0 - 8.8-10.0 QD2 LEU 57 - H GLU 16 far 0 65 0 - 9.1-11.3 QG2 ILE 93 - H GLU 16 far 0 99 0 - 9.7-10.8 Violated in 12 structures by 0.02 A. Peak 6236 from nnoeabs.peaks (4.04, 8.02, 118.48 ppm; 3.29 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 16 + H GLU 16 OK 100 100 100 100 2.8-2.8 3.0=100 HA ARG 46 + H ARG 46 OK 44 44 100 100 2.8-2.9 3.0=100 HB2 SER 49 - H ARG 46 far 0 61 0 - 5.0-7.9 HA GLU 17 - H GLU 16 far 0 99 0 - 5.3-5.4 HA LYS 20 - H GLU 16 far 0 100 0 - 8.1-9.6 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 7 assignments used, quality = 1.00: * HB2 GLU 16 + H GLU 16 OK 100 100 100 100 2.3-3.6 696=80, 1.8/6238=73...(12) HB3 GLU 43 - H ARG 46 far 0 62 0 - 5.1-5.8 HB2 MET 74 - H ARG 46 far 0 61 0 - 5.4-7.7 HB3 GLU 48 - H ARG 46 far 0 46 0 - 6.0-6.9 HB3 PRO 86 - H GLU 16 far 0 79 0 - 6.4-8.6 HB2 MET 21 - H GLU 16 far 0 85 0 - 8.4-10.7 HG12 ILE 93 - H GLU 16 far 0 61 0 - 9.3-11.9 Violated in 17 structures by 0.36 A. Peak 6238 from nnoeabs.peaks (2.17, 8.02, 118.48 ppm; 3.04 A): 1 out of 8 assignments used, quality = 0.99: * HB3 GLU 16 + H GLU 16 OK 99 100 100 99 2.5-3.6 704=71, 1.8/6237=64...(12) HG2 GLU 44 - H ARG 46 far 0 42 0 - 4.6-6.3 HG2 GLU 43 - H ARG 46 far 0 52 0 - 5.5-6.9 HG3 PRO 86 - H GLU 16 far 0 77 0 - 8.0-10.6 HB3 GLU 75 - H ARG 46 far 0 50 0 - 8.1-9.8 HG3 GLU 75 - H ARG 46 far 0 63 0 - 9.5-11.9 HB2 GLU 75 - H ARG 46 far 0 43 0 - 9.6-11.2 HB3 GLN 50 - H ARG 46 far 0 63 0 - 9.7-11.0 Violated in 3 structures by 0.08 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 1.9-3.8 711=83, 3.0/6238=64...(15) HG3 GLU 44 - H ARG 46 far 0 59 0 - 4.6-7.0 HG3 GLU 43 - H ARG 46 far 0 58 0 - 5.4-7.1 HG2 GLU 48 - H ARG 46 far 0 65 0 - 5.6-8.1 HB2 TYR 41 - H ARG 46 far 0 50 0 - 7.2-8.6 Violated in 2 structures by 0.02 A. Peak 6240 from nnoeabs.peaks (2.30, 8.02, 118.48 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 16 + H GLU 16 OK 100 100 100 100 2.6-3.5 718=71, 1.8/711=64...(12) HG3 GLU 43 - H ARG 46 far 0 50 0 - 5.4-7.1 HG2 GLU 48 - H ARG 46 far 0 37 0 - 5.6-8.1 HB2 GLU 48 - H ARG 46 far 0 65 0 - 7.2-8.3 HB2 TYR 41 - H ARG 46 far 0 58 0 - 7.2-8.6 HB2 TYR 4 - H ARG 46 far 0 64 0 - 7.3-9.7 HG2 GLU 23 - H GLU 16 far 0 81 0 - 9.6-11.6 Violated in 1 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (8.06, 8.02, 118.48 ppm; 2.40 A): 2 out of 5 assignments used, quality = 0.95: * H GLU 17 + H GLU 16 OK 79 100 100 79 2.7-2.9 6250/6237=25...(12) H ILE 15 + H GLU 16 OK 76 99 100 77 2.5-2.8 6217/6231=27...(14) H LYS 13 - H GLU 16 far 0 98 0 - 4.7-4.9 H LYS 90 - H GLU 16 far 0 95 0 - 8.6-10.8 H GLU 75 - H ARG 46 far 0 61 0 - 9.2-10.5 Violated in 18 structures by 0.06 A. Peak 6242 from nnoeabs.peaks (8.65, 8.02, 118.48 ppm; 4.82 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 18 + H GLU 16 OK 100 100 100 100 3.9-4.3 6264=100, 6263/3.6=67...(13) H ASP 11 - H GLU 16 far 0 94 0 - 7.0-7.8 H ASN 10 - H GLU 16 far 0 97 0 - 8.8-9.8 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 4 assignments used, quality = 0.99: * HA LYS 13 + H GLU 17 OK 94 100 100 94 3.8-4.6 493/6250=66, 6226/4.6=46...(8) HA LYS 13 + H ILE 15 OK 84 93 100 90 4.2-4.7 3.6/6209=56, 6226/4.6=46...(6) HB2 SER 59 - H ILE 15 far 0 93 0 - 8.2-10.7 HB3 SER 85 - H GLU 17 far 0 65 0 - 9.5-11.7 Violated in 0 structures by 0.00 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 95 100 100 95 3.5-3.9 593/6256=44...(11) 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 - 6.4-9.2 HA LYS 90 - H ILE 15 far 0 89 0 - 8.8-11.3 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): 1 out of 2 assignments used, quality = 0.93: HA ILE 15 + H ILE 15 OK 93 93 100 100 2.8-2.9 3.0=100 ! HA ILE 15 - H GLU 17 far 10 100 10 - 4.5-5.0 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...(12) H GLU 16 + H ILE 15 OK 75 93 100 81 2.5-2.8 6231/6217=27...(15) H LYS 90 - H GLU 17 far 0 77 0 - 6.5-8.9 H LYS 90 - H ILE 15 far 0 67 0 - 8.3-10.2 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 3.5-3.6 3.6=81, 3.0/6250=53...(9) HA GLU 16 - H ILE 15 far 0 93 0 - 5.1-5.4 HA GLU 17 - H ILE 15 far 0 92 0 - 6.8-7.3 HA LYS 20 - H GLU 17 far 0 100 0 - 7.0-8.2 HB3 SER 59 - H ILE 15 far 0 92 0 - 8.0-9.7 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 10 assignments used, quality = 0.99: * HB2 GLU 16 + H GLU 17 OK 99 100 100 99 2.3-3.7 702=82, 1.8/710=62...(7) HB3 PRO 86 - H GLU 17 far 0 79 0 - 4.5-6.6 HB2 GLU 16 - H ILE 15 far 0 93 0 - 4.8-6.3 HB3 PRO 86 - H ILE 15 far 0 69 0 - 5.5-7.4 HB2 MET 21 - H GLU 17 far 0 85 0 - 6.5-8.9 HG12 ILE 93 - H GLU 17 far 0 61 0 - 8.0-11.2 QE MET 21 - H GLU 17 far 0 88 0 - 8.4-9.6 HB2 MET 21 - H ILE 15 far 0 75 0 - 9.6-11.8 HG12 ILE 93 - H ILE 15 far 0 52 0 - 9.8-11.7 HB VAL 83 - H ILE 15 far 0 54 0 - 9.9-10.8 Violated in 19 structures by 0.14 A. Peak 6251 from nnoeabs.peaks (2.17, 8.06, 118.10 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 16 + H GLU 17 OK 100 100 100 100 2.3-3.9 710=100, 1.8/6250=82...(9) HB3 GLU 16 - H ILE 15 far 0 93 0 - 4.7-6.3 HG3 PRO 86 - H GLU 17 far 0 77 0 - 6.4-8.8 HG3 PRO 86 - H ILE 15 far 0 67 0 - 6.9-9.3 HB3 GLU 23 - H GLU 17 far 0 98 0 - 9.6-10.8 Violated in 5 structures by 0.06 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 1.9-4.5 3.0/6250=86, 3.0/710=81...(6) HG2 GLU 16 + H ILE 15 OK 72 93 90 86 3.7-5.9 6239/4.6=57, 717=38...(6) 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 3 assignments used, quality = 1.00: * HG3 GLU 16 + H GLU 17 OK 99 100 100 99 2.0-4.5 3.0/6250=73, 3.0/710=68...(7) HG3 GLU 16 + H ILE 15 OK 25 93 35 76 4.4-5.4 6240/4.6=45, 1.8/717=30...(6) HG2 GLU 23 - H GLU 17 far 0 81 0 - 9.0-11.3 Violated in 14 structures by 0.06 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 3.5-3.6 3.6=70, 3.0/6250=48...(9) HA GLU 16 - H ILE 15 far 0 92 0 - 5.1-5.4 HA PRO 86 - H GLU 17 far 0 63 0 - 5.5-7.4 HA PRO 86 - H ILE 15 far 0 54 0 - 5.9-6.9 HA GLU 17 - H ILE 15 far 0 93 0 - 6.8-7.3 HA LYS 20 - H GLU 17 far 0 100 0 - 7.0-8.2 HB3 SER 59 - H ILE 15 far 0 86 0 - 8.0-9.7 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 12 assignments used, quality = 0.98: * HB2 GLU 17 + H GLU 17 OK 96 100 100 96 3.5-3.6 4.0=46, 3.0/6258=45...(12) HB3 LEU 14 + H ILE 15 OK 49 51 100 96 2.5-3.5 1.8/601=43, 4.4=36...(19) HB2 LYS 13 - H ILE 15 far 0 75 0 - 4.8-5.7 HB3 LYS 20 - H GLU 17 far 0 100 0 - 4.9-6.5 HB3 LYS 13 - H ILE 15 far 0 72 0 - 4.9-5.9 HB3 ARG 19 - H GLU 17 far 0 98 0 - 4.9-7.3 HB3 LYS 13 - H GLU 17 far 0 82 0 - 5.0-6.1 HB2 LYS 13 - H GLU 17 far 0 85 0 - 5.6-6.6 HB3 LEU 14 - H GLU 17 far 0 59 0 - 5.7-6.0 HB2 GLU 17 - H ILE 15 far 0 93 0 - 6.6-7.5 HB3 ARG 19 - H ILE 15 far 0 89 0 - 6.7-9.1 HB3 LYS 20 - H ILE 15 far 0 92 0 - 8.7-10.6 Violated in 1 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 = 0.95: * HB3 GLU 17 + H GLU 17 OK 95 100 100 95 2.3-2.8 4.0=49, 3.0/6258=47...(11) HB3 GLU 17 - H ILE 15 far 0 93 0 - 4.8-5.9 HG12 ILE 93 - H GLU 17 far 0 75 0 - 8.0-11.2 HG12 ILE 93 - H ILE 15 far 0 65 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 6257 from nnoeabs.peaks (2.24, 8.06, 118.10 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 17 + H GLU 17 OK 100 100 100 100 1.9-3.6 751=83, 1.8/6258=80...(11) HG2 GLU 17 - H ILE 15 far 0 93 0 - 5.5-6.7 HG2 GLU 23 - H GLU 17 far 0 84 0 - 9.0-11.3 Violated in 1 structures by 0.00 A. Peak 6258 from nnoeabs.peaks (2.43, 8.06, 118.10 ppm; 3.34 A): 1 out of 7 assignments used, quality = 0.99: * HG3 GLU 17 + H GLU 17 OK 99 100 100 99 2.0-3.4 758=75, 1.8/6257=63...(14) HG3 GLU 17 - H ILE 15 far 0 93 0 - 5.1-7.2 HB2 ASP 11 - H ILE 15 far 0 93 0 - 5.5-6.0 HG3 MET 21 - H GLU 17 far 0 79 0 - 6.3-9.1 HB3 MET 21 - H GLU 17 far 0 77 0 - 6.5-9.7 HB2 ASP 11 - H GLU 17 far 0 100 0 - 8.8-9.4 HB3 MET 21 - H ILE 15 far 0 67 0 - 9.5-12.5 Violated in 1 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 = 0.99: * H ALA 18 + H GLU 17 OK 99 100 100 99 2.7-2.9 6266=84, 6269/6256=40...(15) H ALA 18 - H ILE 15 far 0 93 0 - 4.6-5.0 H ASP 11 - H ILE 15 far 0 84 0 - 4.7-5.3 H ASN 10 - H ILE 15 far 0 88 0 - 6.3-7.2 H ASP 11 - H GLU 17 far 0 94 0 - 8.6-9.5 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 4.0-4.6 6279=100, 6281/6259=80...(9) H ARG 19 - H ILE 15 far 0 93 0 - 5.9-6.4 H LEU 57 - H ILE 15 far 0 69 0 - 9.9-11.0 Violated in 4 structures by 0.02 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 4.1-4.8 8395=83, 593/6269=56...(13) HA LYS 90 + H ALA 18 OK 48 98 60 82 4.3-7.1 10025/11003=36...(10) HA LEU 14 - H ASP 11 far 0 64 0 - 6.5-7.1 HA LEU 14 - H ASN 10 far 0 85 0 - 8.0-8.9 HA GLU 88 - H ALA 18 far 0 88 0 - 9.5-10.9 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 3.5-4.0 642=98, 643/2.9=79...(24) HA ILE 15 - H ASP 11 far 0 64 0 - 6.4-7.3 HA ILE 15 - H ASN 10 far 0 85 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 6264 from nnoeabs.peaks (8.02, 8.65, 122.44 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.98: * H GLU 16 + H ALA 18 OK 98 100 100 98 3.9-4.3 6242=56, 3.6/6263=47...(13) H LYS 90 - H ALA 18 far 0 77 0 - 5.0-7.2 H GLU 16 - H ASP 11 far 0 64 0 - 7.0-7.8 H GLU 16 - H ASN 10 far 0 85 0 - 8.8-9.8 Violated in 17 structures by 0.15 A. Peak 6265 from nnoeabs.peaks (4.04, 8.65, 122.44 ppm; 4.11 A): 2 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 98 100 100 98 3.9-4.3 3.6/6259=67, 3.0/6264=63...(13) HB3 SER 59 - H ASN 10 poor 12 83 25 59 4.8-6.1 9405/3.6=42...(3) HB3 SER 59 - H ASP 11 far 0 62 0 - 6.1-6.8 HA LYS 20 - H ALA 18 far 0 100 0 - 6.5-7.3 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): 1 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...(15) H ILE 15 - H ALA 18 far 0 99 0 - 4.6-5.0 H ILE 15 - H ASP 11 far 0 61 0 - 4.7-5.3 H LYS 90 - H ALA 18 far 0 95 0 - 5.0-7.2 H LYS 13 - H ASP 11 far 0 60 0 - 5.1-5.6 H ILE 15 - H ASN 10 far 0 81 0 - 6.3-7.2 H LYS 13 - H ASN 10 far 0 80 0 - 7.1-7.8 H LYS 13 - H ALA 18 far 0 98 0 - 7.8-8.3 H GLU 17 - H ASP 11 far 0 64 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 6267 from nnoeabs.peaks (4.05, 8.65, 122.44 ppm; 3.96 A): 2 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 97 99 100 97 3.9-4.3 3.6/6259=63, 3.0/6264=59...(13) HB3 SER 59 - H ASN 10 far 4 77 5 - 4.8-6.1 HA PRO 86 - H ALA 18 far 0 63 0 - 5.0-6.6 HB3 SER 59 - H ASP 11 far 0 57 0 - 6.1-6.8 HA LYS 20 - H ALA 18 far 0 100 0 - 6.5-7.3 HA PRO 86 - H ASP 11 far 0 33 0 - 7.9-9.3 HA PRO 86 - H ASN 10 far 0 47 0 - 8.8-10.6 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): 3 out of 20 assignments used, quality = 1.00: * HB2 GLU 17 + H ALA 18 OK 99 100 100 99 3.4-4.0 1.8/6269=74, 742=56...(14) HB3 ARG 19 + H ALA 18 OK 50 98 55 93 4.5-6.1 799/6281=51...(13) HB3 LEU 14 + H ASP 11 OK 25 31 100 80 3.6-4.3 3.1/8398=34, 3.1/8369=20...(13) HB3 LYS 20 - H ALA 18 far 0 100 0 - 4.6-6.6 HB3 LEU 14 - H ASN 10 far 0 44 0 - 5.0-6.0 HB3 LEU 14 - H ALA 18 far 0 59 0 - 5.8-6.8 HB2 LYS 13 - H ASP 11 far 0 48 0 - 6.0-7.9 HB3 LYS 13 - H ASP 11 far 0 46 0 - 6.2-8.1 HB3 LYS 13 - H ALA 18 far 0 82 0 - 7.1-8.2 HB2 LYS 33 - H ASN 10 far 0 68 0 - 7.3-10.2 HB3 LYS 33 - H ASN 10 far 0 65 0 - 7.4-10.8 HB2 LYS 13 - H ALA 18 far 0 85 0 - 7.5-8.7 HB2 LYS 13 - H ASN 10 far 0 66 0 - 7.8-10.1 HB3 LYS 13 - H ASN 10 far 0 63 0 - 8.4-10.4 HB2 LYS 33 - H ASP 11 far 0 49 0 - 8.5-11.2 HB3 LYS 33 - H ASP 11 far 0 47 0 - 8.5-11.7 HB VAL 32 - H ASN 10 far 0 85 0 - 9.0-10.2 HB3 LYS 24 - H ALA 18 far 0 91 0 - 9.4-12.2 HB2 LYS 94 - H ALA 18 far 0 93 0 - 9.4-12.0 HB VAL 32 - H ASP 11 far 0 64 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 6269 from nnoeabs.peaks (2.01, 8.65, 122.44 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLU 17 + H ALA 18 OK 99 100 100 99 2.6-3.0 6256/6259=62, 750=53...(15) HG12 ILE 93 - H ALA 18 far 0 75 0 - 5.3-8.4 HB3 GLU 17 - H ASP 11 far 0 64 0 - 9.0-10.4 HB3 LYS 94 - H ALA 18 far 0 96 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 6270 from nnoeabs.peaks (2.24, 8.65, 122.44 ppm; 5.70 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 17 + H ALA 18 OK 100 100 100 100 4.2-5.1 757=100, 748/6269=98...(13) HG2 GLU 23 - H ALA 18 far 0 84 0 - 8.1-9.8 HG2 GLU 17 - H ASP 11 far 0 64 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6271 from nnoeabs.peaks (2.43, 8.65, 122.44 ppm; 4.35 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 17 + H ALA 18 OK 100 100 100 100 4.0-5.0 6258/6259=77...(11) HB2 ASP 11 + H ASN 10 OK 81 84 100 95 3.6-4.8 8360/4.0=43...(11) HB2 ASP 11 + H ASP 11 OK 64 64 100 100 2.3-3.3 4.0=100 HB3 MET 21 + H ALA 18 OK 29 77 40 93 4.6-7.7 ~770=36, ~959=35...(13) HG3 MET 21 - H ALA 18 far 0 79 0 - 5.3-7.3 HG3 GLU 17 - H ASP 11 far 0 64 0 - 9.2-11.7 HB2 ASP 11 - H ALA 18 far 0 100 0 - 9.6-10.6 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 - 5.0-5.2 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 2.1-2.3 2.9=100 HB2 LEU 57 - H ALA 18 far 0 73 0 - 7.6-8.7 QB ALA 18 - H ASP 11 far 0 64 0 - 8.0-8.6 QG2 THR 84 - H ASN 10 far 0 78 0 - 8.6-11.5 QB ALA 18 - H ASN 10 far 0 85 0 - 8.8-9.5 HB2 LEU 57 - H ASN 10 far 0 55 0 - 9.1-10.5 QG2 THR 84 - H ASP 11 far 0 58 0 - 9.1-11.6 HB2 LEU 57 - H ASP 11 far 0 40 0 - 9.3-10.7 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...(17) H LEU 57 - H ALA 18 far 0 79 0 - 9.4-10.2 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 3.8-4.7 6291/6281=81, 6296=80...(13) H SER 9 + H ASN 10 OK 74 74 100 100 4.3-4.4 4.6=92, 2.9/6114=60...(9) H SER 9 + H ASP 11 OK 49 54 100 90 4.8-5.3 2.9/333=32, 6111=32...(9) H SER 9 - H ALA 18 far 0 93 0 - 9.5-10.2 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 3.7-4.6 643/6283=82, 8434=81...(17) 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 = 0.99: * HA GLU 16 + H ARG 19 OK 98 100 100 98 3.1-3.6 692=45, 3.6/6279=39...(19) HA GLU 17 + H ARG 19 OK 61 99 65 95 4.2-4.9 3.6/6281=53, 2.9/6279=45...(9) 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 4.0-4.6 6260=93, 6259/6281=78...(9) H ILE 15 - H ARG 19 far 0 99 0 - 5.9-6.4 H LYS 90 - H ARG 19 far 0 95 0 - 7.0-8.8 H LYS 13 - H ARG 19 far 0 98 0 - 9.1-9.6 Violated in 4 structures by 0.05 A. Peak 6280 from nnoeabs.peaks (4.05, 8.90, 118.56 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 16 + H ARG 19 OK 98 99 100 98 3.1-3.6 692=45, 3.6/6279=40...(19) * HA GLU 17 + H ARG 19 OK 66 100 70 95 4.2-4.9 3.6/6281=54, 2.9/6279=45...(9) HA LYS 20 - H ARG 19 far 0 100 0 - 5.2-5.5 HA PRO 86 - H ARG 19 far 0 63 0 - 7.4-9.0 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...(17) 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 3.5-3.6 3.6=81, 2.1/6283=69...(14) 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 2.3-2.9 776=74, 2.9/6281=49...(22) HB2 LEU 57 - H ARG 19 far 0 73 0 - 8.9-10.0 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 3.5-3.6 3.6=75, 2.1/6283=66...(14) HA ALA 22 - H ARG 19 far 0 95 0 - 7.3-7.9 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 10 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...(18) HB3 ARG 19 + H ARG 19 OK 62 63 100 97 2.2-3.6 1.8/789=46, 3.9=44...(19) HB2 LYS 20 - H ARG 19 far 0 100 0 - 4.7-6.4 HB VAL 5 - H ARG 19 far 0 75 0 - 7.1-8.1 HB3 LEU 14 - H ARG 19 far 0 99 0 - 7.5-8.8 HB2 LYS 12 - H ARG 19 far 0 81 0 - 8.4-9.0 HB3 LYS 13 - H ARG 19 far 0 90 0 - 8.9-9.9 HB2 LYS 13 - H ARG 19 far 0 87 0 - 9.3-10.2 HB3 LYS 12 - H ARG 19 far 0 84 0 - 9.7-10.3 HB2 LYS 94 - H ARG 19 far 0 77 0 - 10.0-12.1 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 10 assignments used, quality = 1.00: * HB3 ARG 19 + H ARG 19 OK 99 100 100 99 2.2-3.6 799=55, 1.8/789=50...(20) HB2 ARG 19 + H ARG 19 OK 62 63 100 98 2.1-3.6 1.8/799=49, 3.9=49...(16) HB3 LYS 20 - H ARG 19 far 0 100 0 - 4.5-6.2 HB2 GLU 17 - H ARG 19 far 0 98 0 - 5.3-6.2 HB3 LEU 14 - H ARG 19 far 0 82 0 - 7.5-8.8 HB3 LYS 24 - H ARG 19 far 0 71 0 - 8.4-11.5 HB3 LYS 13 - H ARG 19 far 0 96 0 - 8.9-9.9 HB2 LYS 24 - H ARG 19 far 0 71 0 - 9.2-11.6 HB2 LYS 13 - H ARG 19 far 0 98 0 - 9.3-10.2 HB2 LYS 94 - H ARG 19 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6287 from nnoeabs.peaks (1.58, 8.90, 118.56 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 19 + H ARG 19 OK 100 100 100 100 2.6-4.2 1.8/6288=89, 808=88...(23) HB3 LEU 29 - H ARG 19 far 15 99 15 - 4.9-6.0 HG3 LYS 90 - H ARG 19 far 0 100 0 - 6.6-8.5 HG3 LYS 12 - H ARG 19 far 0 99 0 - 9.1-11.3 HG2 LYS 24 - H ARG 19 far 0 100 0 - 9.5-10.9 HB2 ARG 30 - H ARG 19 far 0 94 0 - 9.7-10.9 Violated in 2 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 1.9-3.1 1.8/6287=58, 817=57...(22) HB ILE 15 - H ARG 19 far 0 75 0 - 5.5-6.3 HD2 LYS 90 - H ARG 19 far 0 91 0 - 5.8-9.5 Violated in 0 structures by 0.00 A. Peak 6289 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 19 + H ARG 19 OK 100 100 100 100 3.7-5.0 3.0/6288=76, 3.0/6287=67...(22) * HD2 ARG 19 + H ARG 19 OK 100 100 100 100 3.7-5.1 3.0/6288=76, 3.0/6287=67...(23) HB3 TRP 92 - H ARG 19 far 0 93 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6290 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 19 + H ARG 19 OK 100 100 100 100 3.7-5.0 3.0/6288=76, 3.0/6287=67...(22) HD2 ARG 19 + H ARG 19 OK 100 100 100 100 3.7-5.1 3.0/6288=76, 3.0/6287=67...(23) HB3 TRP 92 - H ARG 19 far 0 93 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6291 from nnoeabs.peaks (7.79, 8.90, 118.56 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 20 + H ARG 19 OK 100 100 100 100 2.5-3.0 6298=93, 797/789=32...(20) HE ARG 30 - H ARG 19 far 0 100 0 - 9.1-13.0 H SER 9 - H ARG 19 far 0 93 0 - 9.9-11.1 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 3.8-4.7 6315/6291=84, 6320=81...(13) H ALA 25 - H ARG 19 far 0 84 0 - 9.3-10.0 Violated in 1 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 2.7-2.9 2.9=100 * HA GLU 16 + H LYS 20 OK 71 100 85 84 3.5-4.8 844=29, 6278/6291=25...(17) HA GLU 17 + H LYS 20 OK 62 99 75 84 3.7-4.2 732=35, 3.6/6296=25...(14) 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 2.7-2.9 2.9=100 HA GLU 16 + H LYS 20 OK 63 99 80 79 3.5-4.8 844=25, 6278/6291=22...(17) * HA GLU 17 + H LYS 20 OK 24 100 30 79 3.7-4.2 732=30, 3.6/6296=21...(13) HA PRO 86 - H LYS 20 far 0 63 0 - 8.6-10.8 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 3.8-4.7 6281/6291=88...(13) 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 = 0.97: * HA ALA 18 + H LYS 20 OK 89 100 90 99 4.2-5.0 3.6/6291=66, 769/6315=57...(10) 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 2.5-3.0 6291=100, 789/797=33...(20) 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 40 70 60 97 4.2-5.0 3.6/6291=63, 2.1/8526=49...(10) 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 8 assignments used, quality = 1.00: HB2 LYS 20 + H LYS 20 OK 97 100 100 97 2.4-3.6 1.8/871=56, 4.0=41...(15) * HB2 ARG 19 + H LYS 20 OK 83 100 90 92 3.1-4.2 797=40, 789/6291=34...(16) HB3 ARG 19 + H LYS 20 OK 50 63 85 93 2.2-4.2 4.1=39, 1.8/797=38...(16) HB VAL 5 - H LYS 20 far 0 75 0 - 8.4-9.6 HB2 LYS 94 - H LYS 20 far 0 77 0 - 9.2-11.7 HB2 LYS 12 - H LYS 20 far 0 81 0 - 9.3-10.6 HB3 LEU 14 - H LYS 20 far 0 99 0 - 9.4-10.9 HB3 LYS 13 - H LYS 20 far 0 90 0 - 9.6-11.0 Violated in 5 structures by 0.02 A. Peak 6301 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.89 A): 3 out of 9 assignments used, quality = 0.99: HB3 LYS 20 + H LYS 20 OK 95 100 100 95 2.1-3.6 871=62, 6325/6315=34...(14) * HB3 ARG 19 + H LYS 20 OK 75 100 80 93 2.2-4.2 1.8/797=35, 4.1=35...(17) HB2 ARG 19 + H LYS 20 OK 46 63 85 85 3.1-4.2 4.1=35, 3.9/6291=30...(13) HB2 GLU 17 - H LYS 20 far 0 98 0 - 5.6-6.2 HB3 LYS 24 - H LYS 20 far 0 71 0 - 6.5-9.5 HB2 LYS 24 - H LYS 20 far 0 71 0 - 6.9-9.6 HB2 LYS 94 - H LYS 20 far 0 100 0 - 9.2-11.7 HB3 LEU 14 - H LYS 20 far 0 82 0 - 9.4-10.9 HB3 LYS 13 - H LYS 20 far 0 96 0 - 9.6-11.0 Violated in 1 structures by 0.01 A. Peak 6302 from nnoeabs.peaks (1.58, 7.79, 118.64 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 19 + H LYS 20 OK 100 100 100 100 1.9-4.9 4.9=88, 1.8/6303=88...(17) HB3 LEU 29 - H LYS 20 far 0 99 0 - 5.7-7.1 HG3 LYS 90 - H LYS 20 far 0 100 0 - 6.0-8.8 HG2 LYS 24 - H LYS 20 far 0 100 0 - 7.2-9.1 Violated in 9 structures by 0.07 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 2.2-4.4 6288/6291=71, 4.9=67...(16) HD2 LYS 90 - H LYS 20 far 0 91 0 - 7.0-9.4 HB ILE 15 - H LYS 20 far 0 75 0 - 7.3-8.6 Violated in 11 structures by 0.03 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 4.3-5.5 3.0/6303=80, 3.6/797=76...(15) * HD2 ARG 19 + H LYS 20 OK 70 100 70 100 4.1-6.2 3.0/6303=80, 3.6/797=76...(15) Violated in 1 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 4.3-5.5 3.0/6303=80, 3.6/797=76...(15) HD2 ARG 19 + H LYS 20 OK 70 100 70 100 4.1-6.2 3.0/6303=80, 3.6/797=76...(15) Violated in 1 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 2.7-2.9 2.9=100 HA GLU 16 + H LYS 20 OK 63 100 80 79 3.5-4.8 844=25, 6278/6291=22...(17) HA GLU 17 + H LYS 20 OK 24 100 30 79 3.7-4.2 732=30, 3.6/6296=21...(13) HA PRO 86 - H LYS 20 far 0 61 0 - 8.6-10.8 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 7 assignments used, quality = 0.99: * HB2 LYS 20 + H LYS 20 OK 97 100 100 97 2.4-3.6 1.8/871=56, 4.0=41...(15) HB2 ARG 19 + H LYS 20 OK 83 100 90 92 3.1-4.2 797=40, 789/6291=34...(16) HB VAL 5 - H LYS 20 far 0 81 0 - 8.4-9.6 HB2 LYS 94 - H LYS 20 far 0 71 0 - 9.2-11.7 HB2 LYS 12 - H LYS 20 far 0 85 0 - 9.3-10.6 HB3 LEU 14 - H LYS 20 far 0 98 0 - 9.4-10.9 HB3 LYS 13 - H LYS 20 far 0 85 0 - 9.6-11.0 Violated in 11 structures by 0.06 A. Peak 6308 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.89 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LYS 20 + H LYS 20 OK 95 100 100 95 2.1-3.6 871=62, 6325/6315=35...(14) HB3 ARG 19 + H LYS 20 OK 75 100 80 93 2.2-4.2 1.8/797=35, 4.1=35...(17) HB2 GLU 17 - H LYS 20 far 0 100 0 - 5.6-6.2 HB3 LYS 24 - H LYS 20 far 0 81 0 - 6.5-9.5 HB2 LYS 24 - H LYS 20 far 0 81 0 - 6.9-9.6 HB2 LYS 94 - H LYS 20 far 0 98 0 - 9.2-11.7 HB3 LEU 14 - H LYS 20 far 0 73 0 - 9.4-10.9 HB3 LYS 13 - H LYS 20 far 0 92 0 - 9.6-11.0 Violated in 1 structures by 0.01 A. Peak 6309 from nnoeabs.peaks (1.46, 7.79, 118.64 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 20 + H LYS 20 OK 100 100 100 100 1.9-4.0 882=73, 1.8/893=68...(21) QB ALA 22 - H LYS 20 far 0 90 0 - 4.8-5.4 HG LEU 29 - H LYS 20 far 0 90 0 - 7.2-8.4 HB2 LEU 27 - H LYS 20 far 0 100 0 - 8.6-9.8 HG12 ILE 7 - H LYS 20 far 0 71 0 - 9.5-11.2 HG2 LYS 12 - H LYS 20 far 0 98 0 - 10.0-12.2 Violated in 4 structures by 0.04 A. Peak 6310 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.99: * HG3 LYS 20 + H LYS 20 OK 88 100 90 98 1.9-4.1 1.8/6309=52, 893=49...(17) HD3 LYS 20 + H LYS 20 OK 82 100 85 96 2.4-4.7 2.8/6309=41, 2.8/893=37...(22) HD2 LYS 20 + H LYS 20 OK 67 100 70 96 1.9-4.6 2.8/6309=41, 2.8/893=37...(22) HD3 LYS 24 - H LYS 20 far 0 90 0 - 5.8-10.2 HD3 LYS 90 - H LYS 20 far 0 90 0 - 5.9-10.6 HD2 LYS 24 - H LYS 20 far 0 91 0 - 6.1-9.7 HG12 ILE 15 - H LYS 20 far 0 93 0 - 8.4-9.8 HD2 LYS 13 - H LYS 20 far 0 84 0 - 8.6-12.7 HD3 LYS 13 - H LYS 20 far 0 81 0 - 8.9-12.6 HD2 LYS 12 - H LYS 20 far 0 84 0 - 9.0-14.1 HD3 LYS 12 - H LYS 20 far 0 84 0 - 9.1-13.8 Violated in 0 structures by 0.00 A. Peak 6311 from nnoeabs.peaks (1.68, 7.79, 118.64 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.99: HG3 LYS 20 + H LYS 20 OK 88 100 90 98 1.9-4.1 1.8/6309=52, 893=49...(17) HD3 LYS 20 + H LYS 20 OK 82 100 85 96 2.4-4.7 2.8/6309=41, 2.8/893=37...(22) * HD2 LYS 20 + H LYS 20 OK 67 100 70 96 1.9-4.6 2.8/6309=41, 2.8/893=37...(22) HD3 LYS 24 - H LYS 20 far 0 93 0 - 5.8-10.2 HD3 LYS 90 - H LYS 20 far 0 93 0 - 5.9-10.6 HD2 LYS 24 - H LYS 20 far 0 94 0 - 6.1-9.7 HG12 ILE 15 - H LYS 20 far 0 96 0 - 8.4-9.8 HD2 LYS 13 - H LYS 20 far 0 88 0 - 8.6-12.7 HD3 LYS 13 - H LYS 20 far 0 85 0 - 8.9-12.6 HD2 LYS 12 - H LYS 20 far 0 88 0 - 9.0-14.1 HD3 LYS 12 - H LYS 20 far 0 88 0 - 9.1-13.8 Violated in 0 structures by 0.00 A. Peak 6312 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.99: HG3 LYS 20 + H LYS 20 OK 88 100 90 98 1.9-4.1 1.8/6309=52, 893=49...(17) * HD3 LYS 20 + H LYS 20 OK 82 100 85 96 2.4-4.7 2.8/6309=41, 2.8/893=37...(22) HD2 LYS 20 + H LYS 20 OK 67 100 70 96 1.9-4.6 2.8/6309=41, 2.8/893=37...(22) HD3 LYS 24 - H LYS 20 far 0 90 0 - 5.8-10.2 HD3 LYS 90 - H LYS 20 far 0 90 0 - 5.9-10.6 HD2 LYS 24 - H LYS 20 far 0 91 0 - 6.1-9.7 HG12 ILE 15 - H LYS 20 far 0 93 0 - 8.4-9.8 HD2 LYS 13 - H LYS 20 far 0 84 0 - 8.6-12.7 HD3 LYS 13 - H LYS 20 far 0 81 0 - 8.9-12.6 HD2 LYS 12 - H LYS 20 far 0 84 0 - 9.0-14.1 HD3 LYS 12 - H LYS 20 far 0 84 0 - 9.1-13.8 Violated in 0 structures by 0.00 A. Peak 6313 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.99: * HE2 LYS 20 + H LYS 20 OK 95 100 95 100 3.5-5.6 3.6/6309=73, 3.6/893=70...(24) HE3 LYS 20 + H LYS 20 OK 90 100 90 100 3.6-5.7 3.6/6309=73, 3.6/893=70...(24) HG2 MET 21 - H LYS 20 far 12 81 15 - 5.3-6.9 HE3 LYS 90 - H LYS 20 far 0 87 0 - 5.8-11.2 HE2 LYS 94 - H LYS 20 far 0 99 0 - 9.7-15.0 Violated in 2 structures by 0.00 A. Peak 6314 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.99: HE2 LYS 20 + H LYS 20 OK 95 100 95 100 3.5-5.6 3.6/6309=73, 3.6/893=70...(24) * HE3 LYS 20 + H LYS 20 OK 90 100 90 100 3.6-5.7 3.6/6309=73, 3.6/893=70...(24) HG2 MET 21 - H LYS 20 far 12 82 15 - 5.3-6.9 HE3 LYS 90 - H LYS 20 far 0 88 0 - 5.8-11.2 HE2 LYS 94 - H LYS 20 far 0 100 0 - 9.7-15.0 Violated in 2 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 2.5-3.0 6322=96, 6325/871=41...(20) H ALA 25 - H LYS 20 far 0 84 0 - 8.0-8.6 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 4.3-4.8 6343=100, 6345/6315=87...(10) Violated in 6 structures by 0.02 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 3.5-3.6 3.6=100 * HA GLU 17 + H MET 21 OK 72 100 90 80 4.0-4.7 8492/769=30, 732/6315=28...(12) HA GLU 16 - H MET 21 far 0 99 0 - 6.0-6.9 HA PRO 86 - H MET 21 far 0 63 0 - 8.6-10.1 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 3.4-3.8 769=83, 2.1/8560=46...(15) HA ARG 19 + H MET 21 OK 66 70 100 96 4.1-4.7 3.6/6315=61, 3.0/6292=46...(13) 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 1 assignment used, quality = 1.00: * H ARG 19 + H MET 21 OK 100 100 100 100 3.8-4.7 6292=100, 6291/6315=90...(13) Violated in 0 structures by 0.00 A. Peak 6321 from nnoeabs.peaks (3.81, 7.68, 118.10 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 19 + H MET 21 OK 99 100 100 99 4.1-4.7 3.6/6315=66, 786/6345=55...(13) HA ALA 18 + H MET 21 OK 69 70 100 99 3.4-3.8 769=58, 2.1/8560=51...(15) HA ALA 22 - H MET 21 far 0 95 0 - 5.3-5.5 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 2.5-3.0 6315=100, 871/6325=42...(20) H GLU 28 - H MET 21 far 0 100 0 - 9.9-11.7 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 3.5-3.6 3.6=100 HA GLU 17 + H MET 21 OK 72 100 90 80 4.0-4.7 8492/769=30, 732/6315=28...(12) HA GLU 16 - H MET 21 far 0 100 0 - 6.0-6.9 HA PRO 86 - H MET 21 far 0 61 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 6324 from nnoeabs.peaks (1.89, 7.68, 118.10 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.96: * HB2 LYS 20 + H MET 21 OK 96 100 100 96 2.7-3.9 869=50, 4.0/6315=47...(16) HB2 ARG 19 - H MET 21 far 0 100 0 - 5.1-6.2 HB2 LYS 94 - H MET 21 far 0 71 0 - 6.3-8.8 HB VAL 5 - H MET 21 far 0 81 0 - 8.1-9.1 Violated in 12 structures by 0.06 A. Peak 6325 from nnoeabs.peaks (1.93, 7.68, 118.10 ppm; 3.48 A): 1 out of 6 assignments used, quality = 0.95: * HB3 LYS 20 + H MET 21 OK 95 100 100 95 2.3-4.0 871/6315=52, 881=49...(12) HB3 ARG 19 - H MET 21 far 0 100 0 - 4.5-6.1 HB3 LYS 24 - H MET 21 far 0 81 0 - 4.6-7.6 HB2 LYS 24 - H MET 21 far 0 81 0 - 5.2-7.7 HB2 GLU 17 - H MET 21 far 0 100 0 - 5.3-5.8 HB2 LYS 94 - H MET 21 far 0 98 0 - 6.3-8.8 Violated in 3 structures by 0.05 A. Peak 6326 from nnoeabs.peaks (1.46, 7.68, 118.10 ppm; 4.05 A): 2 out of 7 assignments used, quality = 0.98: QB ALA 22 + H MET 21 OK 88 90 100 99 4.2-4.6 2.9/6345=78, 3.6/6339=41...(16) * HG2 LYS 20 + H MET 21 OK 80 100 80 100 1.9-5.2 3.0/6325=70, 3.0/6324=67...(17) HB2 LEU 27 - H MET 21 far 0 100 0 - 7.6-8.4 HG LEU 29 - H MET 21 far 0 90 0 - 7.6-8.8 HB2 ARG 91 - H MET 21 far 0 79 0 - 9.0-11.6 HG3 ARG 91 - H MET 21 far 0 100 0 - 9.1-13.3 HG12 ILE 7 - H MET 21 far 0 71 0 - 9.9-11.3 Violated in 4 structures by 0.01 A. Peak 6327 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.90: * HG3 LYS 20 + H MET 21 OK 60 100 60 99 2.7-5.4 3.0/6325=69, 3.0/6324=66...(16) HD3 LYS 20 + H MET 21 OK 54 100 55 98 4.1-6.3 3.5/6325=60, 3.5/6324=57...(11) HD2 LYS 20 + H MET 21 OK 44 100 45 98 4.1-6.2 3.5/6325=60, 3.5/6324=57...(12) HD3 LYS 90 - H MET 21 far 9 90 10 - 4.2-8.6 HD3 LYS 24 - H MET 21 far 4 90 5 - 4.7-8.2 HD2 LYS 24 - H MET 21 far 0 91 0 - 5.3-8.0 HB3 ARG 91 - H MET 21 far 0 99 0 - 9.5-11.5 Violated in 11 structures by 0.03 A. Peak 6328 from nnoeabs.peaks (1.68, 7.68, 118.10 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.89: HG3 LYS 20 + H MET 21 OK 60 100 60 99 2.7-5.4 3.0/6325=69, 3.0/6324=66...(16) HD3 LYS 20 + H MET 21 OK 54 100 55 98 4.1-6.3 3.5/6325=60, 3.5/6324=57...(11) * HD2 LYS 20 + H MET 21 OK 44 100 45 98 4.1-6.2 3.5/6325=60, 3.5/6324=57...(12) HD3 LYS 90 - H MET 21 far 9 93 10 - 4.2-8.6 HD3 LYS 24 - H MET 21 far 5 93 5 - 4.7-8.2 HD2 LYS 24 - H MET 21 far 0 94 0 - 5.3-8.0 HB3 ARG 91 - H MET 21 far 0 100 0 - 9.5-11.5 Violated in 11 structures by 0.03 A. Peak 6329 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.90: HG3 LYS 20 + H MET 21 OK 60 100 60 99 2.7-5.4 3.0/6325=69, 3.0/6324=66...(16) * HD3 LYS 20 + H MET 21 OK 54 100 55 98 4.1-6.3 3.5/6325=60, 3.5/6324=57...(11) HD2 LYS 20 + H MET 21 OK 44 100 45 98 4.1-6.2 3.5/6325=60, 3.5/6324=57...(12) HD3 LYS 90 - H MET 21 far 9 90 10 - 4.2-8.6 HD3 LYS 24 - H MET 21 far 4 90 5 - 4.7-8.2 HD2 LYS 24 - H MET 21 far 0 91 0 - 5.3-8.0 HB3 ARG 91 - H MET 21 far 0 99 0 - 9.5-11.5 Violated in 11 structures by 0.03 A. Peak 6330 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.85: HG2 MET 21 + H MET 21 OK 81 81 100 100 2.8-4.3 3.0/6333=80, 977=74...(16) * HE2 LYS 20 + H MET 21 OK 24 100 25 96 4.1-6.8 4.7/6325=47, 4.7/6324=46...(11) HE3 LYS 20 - H MET 21 far 10 100 10 - 4.4-6.8 HE3 LYS 90 - H MET 21 far 4 87 5 - 4.7-9.6 HE2 LYS 94 - H MET 21 far 0 99 0 - 7.0-12.3 HE3 LYS 94 - H MET 21 far 0 100 0 - 7.6-12.2 Violated in 0 structures by 0.00 A. Peak 6331 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.87: HG2 MET 21 + H MET 21 OK 82 82 100 100 2.8-4.3 3.0/6333=80, 977=76...(16) HE2 LYS 20 + H MET 21 OK 24 100 25 96 4.1-6.8 4.7/6325=47, 4.7/6324=46...(11) ! HE3 LYS 20 - H MET 21 far 10 100 10 - 4.4-6.8 HE3 LYS 90 - H MET 21 far 4 88 5 - 4.7-9.6 HE2 LYS 94 - H MET 21 far 0 100 0 - 7.0-12.3 HE3 LYS 94 - H MET 21 far 0 100 0 - 7.6-12.2 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 - 8.6-9.4 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 5 assignments used, quality = 0.96: * HB2 MET 21 + H MET 21 OK 96 100 100 96 2.1-3.5 960=61, 6347/6345=44...(13) HG12 ILE 93 - H MET 21 far 0 98 0 - 4.5-7.7 HB2 GLU 23 - H MET 21 far 0 65 0 - 6.3-7.0 HB2 GLU 16 - H MET 21 far 0 85 0 - 6.6-8.6 HB3 LYS 94 - H MET 21 far 0 81 0 - 7.3-9.6 Violated in 8 structures by 0.12 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 2.1-3.5 4.0=95, 1.8/6333=94...(14) HG3 MET 21 + H MET 21 OK 100 100 100 100 2.7-4.5 1.8/6335=75, 3.0/6333=74...(17) HG3 GLU 17 - H MET 21 far 0 77 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 6335 from nnoeabs.peaks (2.94, 7.68, 118.10 ppm; 3.99 A): 1 out of 8 assignments used, quality = 1.00: * HG2 MET 21 + H MET 21 OK 100 100 100 100 2.8-4.3 977=93, 3.0/6333=75...(16) HE2 LYS 20 - H MET 21 poor 16 81 20 - 4.1-6.8 HE3 LYS 24 - H MET 21 far 9 90 10 - 4.8-9.9 HE3 LYS 20 - H MET 21 far 8 82 10 - 4.4-6.8 HE3 LYS 90 - H MET 21 far 5 100 5 - 4.7-9.6 HE2 LYS 24 - H MET 21 far 0 90 0 - 5.8-9.8 HE2 LYS 94 - H MET 21 far 0 92 0 - 7.0-12.3 HE3 LYS 94 - H MET 21 far 0 79 0 - 7.6-12.2 Violated in 4 structures by 0.02 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 2.1-3.5 4.0=95, 1.8/6333=94...(14) * HG3 MET 21 + H MET 21 OK 100 100 100 100 2.7-4.5 1.8/6335=75, 3.0/6333=74...(17) HG3 GLU 17 - H MET 21 far 0 79 0 - 6.7-7.9 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 5 assignments used, quality = 0.98: * QE MET 21 + H MET 21 OK 98 100 100 98 4.0-4.3 954/3.0=48, 6351/6345=48...(14) HB2 GLU 23 - H MET 21 far 0 98 0 - 6.3-7.0 HB2 GLU 16 - H MET 21 far 0 88 0 - 6.6-8.6 HB3 PRO 86 - H MET 21 far 0 100 0 - 8.1-9.6 HB2 PRO 86 - H MET 21 far 0 91 0 - 8.3-10.4 Violated in 20 structures by 0.70 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 2.7-3.0 6345=100, 6347/6333=46...(18) 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 3.8-4.3 6354/6345=90, 855/3.6=71...(13) H LYS 94 - H MET 21 far 0 98 0 - 6.2-7.9 H LEU 27 - H MET 21 far 0 68 0 - 8.1-8.6 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 = 0.91: * HA ALA 18 + H ALA 22 OK 76 100 80 95 3.7-4.7 769/6345=42, 2.1/8569=39...(13) HA ARG 19 + H ALA 22 OK 64 70 100 92 3.5-4.0 3.6/6343=33, 786=32...(15) Violated in 9 structures by 0.03 A. Peak 6342 from nnoeabs.peaks (3.81, 8.81, 122.15 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.99: HA ALA 22 + H ALA 22 OK 95 95 100 100 2.8-2.8 3.0=100 * HA ARG 19 + H ALA 22 OK 89 100 95 94 3.5-4.0 786=39, 787/6353=37...(15) HA ALA 18 - H ALA 22 poor 17 70 25 - 3.7-4.7 HA SER 97 - H ALA 22 far 0 100 0 - 9.1-10.9 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 4.3-4.8 6316=89, 6315/6345=84...(10) H GLU 28 - H ALA 22 far 0 100 0 - 7.2-8.9 HE ARG 30 - H ALA 22 far 0 100 0 - 9.8-13.9 Violated in 14 structures by 0.10 A. Peak 6344 from nnoeabs.peaks (4.05, 8.81, 122.15 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.99: * HA LYS 20 + H ALA 22 OK 99 100 100 99 4.5-5.0 3.6/6345=81, 855/6354=70...(8) HA GLU 17 - H ALA 22 far 0 100 0 - 6.6-7.4 HA GLU 16 - H ALA 22 far 0 100 0 - 7.5-8.2 Violated in 17 structures by 0.15 A. Peak 6345 from nnoeabs.peaks (7.68, 8.81, 122.15 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * H MET 21 + H ALA 22 OK 100 100 100 100 2.7-3.0 6338=88, 6333/6347=42...(18) H ALA 25 - H ALA 22 far 0 84 0 - 4.7-5.0 H GLU 98 - H ALA 22 far 0 79 0 - 9.6-11.3 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 3.6-3.6 3.6=100 HA ALA 25 - H ALA 22 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 6347 from nnoeabs.peaks (2.05, 8.81, 122.15 ppm; 3.35 A): 1 out of 7 assignments used, quality = 0.96: * HB2 MET 21 + H ALA 22 OK 96 100 100 96 2.5-3.7 6333/6345=55, 967=49...(16) HG12 ILE 93 - H ALA 22 poor 20 98 20 - 3.3-6.0 HB2 GLU 23 - H ALA 22 far 0 65 0 - 6.2-6.4 HB3 LYS 94 - H ALA 22 far 0 81 0 - 7.0-9.1 HG3 GLU 28 - H ALA 22 far 0 98 0 - 8.5-11.7 HB2 GLU 16 - H ALA 22 far 0 85 0 - 8.8-10.1 HG2 GLU 28 - H ALA 22 far 0 98 0 - 9.0-11.8 Violated in 1 structures by 0.02 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 2.3-3.1 4.6=100 HG3 MET 21 + H ALA 22 OK 100 100 100 100 3.4-5.0 3.0/6347=90, 1.8/6349=82...(19) HG3 GLU 17 - H ALA 22 far 0 77 0 - 9.3-10.3 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 2.7-5.0 3.0/6347=88, 984=82...(17) HE3 LYS 24 - H ALA 22 far 0 90 0 - 6.1-10.3 HE3 LYS 90 - H ALA 22 far 0 100 0 - 6.4-11.1 HE2 LYS 24 - H ALA 22 far 0 90 0 - 6.4-10.4 HE3 LYS 20 - H ALA 22 far 0 82 0 - 6.7-9.4 HE2 LYS 20 - H ALA 22 far 0 81 0 - 6.8-9.1 HE2 LYS 94 - H ALA 22 far 0 92 0 - 7.4-12.0 HE3 LYS 94 - H ALA 22 far 0 79 0 - 8.2-11.8 Violated in 16 structures by 0.07 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 2.3-3.1 4.6=100 * HG3 MET 21 + H ALA 22 OK 100 100 100 100 3.4-5.0 3.0/6347=90, 1.8/6349=82...(19) HG3 GLU 17 - H ALA 22 far 0 79 0 - 9.3-10.3 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 5 assignments used, quality = 1.00: * QE MET 21 + H ALA 22 OK 100 100 100 100 3.6-4.0 6337/6345=58, 954/3.6=47...(18) HB2 GLU 23 - H ALA 22 far 0 98 0 - 6.2-6.4 HG3 GLU 28 - H ALA 22 far 0 68 0 - 8.5-11.7 HB2 GLU 16 - H ALA 22 far 0 88 0 - 8.8-10.1 HG2 GLU 28 - H ALA 22 far 0 68 0 - 9.0-11.8 Violated in 17 structures by 0.15 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 2.8-2.8 3.0=100 HA ARG 19 + H ALA 22 OK 83 95 95 92 3.5-4.0 786=36, 787/6353=34...(14) HA LYS 94 - H ALA 22 far 0 59 0 - 5.8-7.3 HA SER 97 - H ALA 22 far 0 99 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 6353 from nnoeabs.peaks (1.44, 8.81, 122.15 ppm; 2.76 A): 1 out of 5 assignments used, quality = 0.97: * QB ALA 22 + H ALA 22 OK 97 100 100 97 2.0-2.2 2.9=85, 6363/6354=32...(18) HB2 LEU 27 - H ALA 22 far 0 90 0 - 4.7-5.6 HG2 LYS 20 - H ALA 22 far 0 90 0 - 4.9-7.4 HG LEU 29 - H ALA 22 far 0 100 0 - 6.0-7.1 HG12 ILE 7 - H ALA 22 far 0 99 0 - 9.6-11.0 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 2.7-2.9 6361=81, 6363/6353=53...(18) H LYS 94 - H ALA 22 far 0 98 0 - 5.5-7.0 H LEU 27 - H ALA 22 far 0 68 0 - 5.7-6.3 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 4.0-4.6 6374=100, 6376/6354=88...(12) 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 = 0.99: HA ALA 22 + H GLU 23 OK 95 95 100 100 3.5-3.6 3.6=100 * HA ARG 19 + H GLU 23 OK 87 100 90 96 3.9-5.1 786/6354=52, 787/6363=48...(9) HA ALA 18 - H GLU 23 far 0 70 0 - 6.2-7.1 HA SER 97 - H GLU 23 far 0 100 0 - 10.0-11.8 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 = 1.00: * HA LYS 20 + H GLU 23 OK 100 100 100 100 3.4-3.8 855=100, 6344/6354=49...(9) HA GLU 17 - H GLU 23 far 0 100 0 - 7.8-8.6 HA GLU 16 - H GLU 23 far 0 100 0 - 7.8-8.8 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 3.8-4.3 6345/6354=79, 6339=69...(13) H ALA 25 + H GLU 23 OK 83 84 100 99 3.7-4.0 6397/6376=59...(13) 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 3.9-4.6 3.6/6354=87...(12) HA ALA 25 - H GLU 23 far 0 100 0 - 6.6-6.9 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 2.7-2.9 6354=100, 6353/6363=60...(18) 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 81 95 90 95 3.9-5.1 786/6354=48, 787/6363=45...(9) HA LYS 94 - H GLU 23 far 0 59 0 - 7.7-8.9 HA SER 97 - H GLU 23 far 0 99 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 6363 from nnoeabs.peaks (1.44, 8.28, 117.00 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 22 + H GLU 23 OK 100 100 100 100 2.4-2.9 3.6=79, 6353/6354=56...(22) HB2 LEU 27 - H GLU 23 far 0 90 0 - 4.6-6.0 HG2 LYS 20 - H GLU 23 far 0 90 0 - 5.5-6.6 HG LEU 29 - H GLU 23 far 0 100 0 - 7.0-8.6 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 3.5-3.6 1020=95, 1.8/6366=75...(13) QE MET 21 - H GLU 23 far 0 98 0 - 4.3-5.2 HB2 MET 21 - H GLU 23 far 0 65 0 - 4.8-5.5 HG3 GLU 28 - H GLU 23 far 0 88 0 - 8.1-10.8 HG2 GLU 28 - H GLU 23 far 0 88 0 - 8.2-11.0 HB2 GLU 16 - H GLU 23 far 0 99 0 - 8.8-10.7 Violated in 20 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 2.2-2.7 1028=86, 1.8/6365=66...(13) HB3 GLU 16 - H GLU 23 far 0 98 0 - 9.3-10.9 Violated in 0 structures by 0.00 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 1.9-3.1 1035=100, 1.8/1042=87...(11) 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 1 assignment used, quality = 1.00: * HG3 GLU 23 + H GLU 23 OK 100 100 100 100 2.1-3.6 1042=100, 2.9/6366=67...(15) 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 2.5-2.9 6376=100, 6377/3.0=57...(17) 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 3.7-4.0 6397/6376=81...(13) H MET 21 + H GLU 23 OK 83 84 100 99 3.8-4.3 6339=65, 6338/6354=64...(13) 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 = 0.62: HA PRO 86 + H GLU 88 OK 51 61 95 89 3.9-4.6 3.5/7386=51...(15) * HA LYS 20 + H LYS 24 OK 23 100 30 76 3.9-5.0 855/6376=44...(6) HA GLU 17 - H LYS 24 far 0 100 0 - 8.4-9.3 HA GLU 17 - H GLU 88 far 0 100 0 - 8.7-10.9 HB3 SER 59 - H GLU 88 far 0 96 0 - 9.1-11.6 HA GLU 16 - H LYS 24 far 0 100 0 - 9.6-10.7 Violated in 18 structures by 0.17 A. Peak 6373 from nnoeabs.peaks (4.41, 7.57, 119.96 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.98: * HA MET 21 + H LYS 24 OK 98 100 100 98 3.2-3.7 956=65, 3.6/6374=36...(14) HA ALA 25 - H LYS 24 far 0 100 0 - 5.0-5.3 HB THR 84 - H GLU 88 far 0 78 0 - 7.4-8.3 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 4.0-4.6 6355=98, 6354/6376=87...(12) Violated in 0 structures by 0.00 A. Peak 6375 from nnoeabs.peaks (3.83, 7.57, 119.96 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 22 + H LYS 24 OK 100 100 100 100 4.1-4.8 3.6/6376=87...(13) HA ARG 19 - H LYS 24 far 0 95 0 - 6.5-7.6 HA LYS 94 - H LYS 24 far 0 59 0 - 6.7-8.0 HA SER 97 - H LYS 24 far 0 99 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 6376 from nnoeabs.peaks (8.28, 7.57, 119.96 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 23 + H LYS 24 OK 100 100 100 100 2.5-2.9 6369=85, 3.0/6377=51...(17) H LEU 27 - H LYS 24 far 0 68 0 - 5.1-5.6 H LYS 94 - H LYS 24 far 0 98 0 - 7.9-9.0 H LYS 94 - H GLU 88 far 0 97 0 - 9.2-10.1 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 2 assignments used, quality = 1.00: * HA GLU 23 + H LYS 24 OK 100 100 100 100 3.5-3.6 3.6=94, 3.0/6376=56...(14) HB2 SER 59 - H GLU 88 far 0 97 0 - 9.6-11.7 Violated in 19 structures by 0.04 A. Peak 6378 from nnoeabs.peaks (2.09, 7.57, 119.96 ppm; 2.89 A): 3 out of 11 assignments used, quality = 0.99: HB3 GLU 88 + H GLU 88 OK 94 99 100 96 2.2-3.6 1.8/7393=51, 3879=44...(15) * HB2 GLU 23 + H LYS 24 OK 63 100 70 91 3.0-4.0 1.8/1034=37, 3.0/6377=36...(9) QE MET 21 + H LYS 24 OK 52 98 65 82 3.3-4.3 954/6373=25, 8540/3.0=23...(12) HB VAL 83 - H GLU 88 far 0 83 0 - 4.0-4.6 HB2 MET 21 - H LYS 24 far 0 65 0 - 4.9-5.9 HB3 PRO 86 - H GLU 88 far 0 93 0 - 4.9-6.1 HB2 PRO 86 - H GLU 88 far 0 71 0 - 5.0-6.1 QE MET 21 - H GLU 88 far 0 97 0 - 9.2-10.3 HB2 MET 21 - H GLU 88 far 0 65 0 - 9.2-10.5 HG2 GLU 28 - H LYS 24 far 0 88 0 - 9.7-12.6 HB2 GLU 16 - H LYS 24 far 0 99 0 - 10.0-12.6 Violated in 16 structures by 0.09 A. Peak 6379 from nnoeabs.peaks (2.15, 7.57, 119.96 ppm; 3.05 A): 2 out of 3 assignments used, quality = 0.99: * HB3 GLU 23 + H LYS 24 OK 94 100 100 94 2.5-3.0 1034=45, 3.0/6377=41...(10) HG2 GLU 88 + H GLU 88 OK 81 97 85 98 2.5-4.1 3886=47, 3.0/7393=42...(14) HB2 PRO 86 - H GLU 88 far 0 69 0 - 5.0-6.1 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 3 assignments used, quality = 1.00: * HG2 GLU 23 + H LYS 24 OK 100 100 100 100 3.9-4.7 1016/6377=77...(8) HG2 GLU 17 - H GLU 88 far 0 83 0 - 6.8-10.3 HG2 GLU 95 - H GLU 88 far 0 100 0 - 10.0-13.2 Violated in 15 structures by 0.04 A. Peak 6381 from nnoeabs.peaks (2.49, 7.57, 119.96 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.98: HB2 ASP 87 + H GLU 88 OK 91 99 100 92 2.5-4.0 8796=36, 4.0/7386=34...(16) HB3 ASP 87 + H GLU 88 OK 79 99 90 89 2.7-4.3 8796=35, 4.0/7386=34...(14) ! HG3 GLU 23 - H LYS 24 far 15 100 15 - 3.9-5.0 HD2 ARG 91 - H GLU 88 far 0 100 0 - 4.9-7.8 HG3 GLU 98 - H LYS 24 far 0 95 0 - 9.9-12.0 Violated in 2 structures by 0.02 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 48 98 55 89 3.9-4.6 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 96 100 100 96 2.1-3.6 1061=39, 1.8/1073=29...(25) * HB2 LYS 24 + H LYS 24 OK 96 100 100 96 2.1-3.6 1073=39, 1.8/1073=29...(25) HG3 GLU 88 + H GLU 88 OK 73 92 85 93 2.0-4.6 1.8/3886=35, 3.0/7393=34...(16) HB3 LYS 20 - H LYS 24 far 0 81 0 - 5.5-6.4 HB2 GLU 17 - H GLU 88 far 0 90 0 - 6.1-8.4 HB3 ARG 19 - H LYS 24 far 0 71 0 - 7.4-9.1 HB2 GLU 17 - H LYS 24 far 0 91 0 - 9.8-10.5 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 96 100 100 96 2.1-3.6 1061=39, 1.8/1073=29...(25) HB2 LYS 24 + H LYS 24 OK 96 100 100 96 2.1-3.6 1073=39, 1.8/1073=29...(25) HG3 GLU 88 + H GLU 88 OK 73 92 85 93 2.0-4.6 1.8/3886=35, 3.0/7393=34...(16) HB3 LYS 20 - H LYS 24 far 0 81 0 - 5.5-6.4 HB2 GLU 17 - H GLU 88 far 0 90 0 - 6.1-8.4 HB3 ARG 19 - H LYS 24 far 0 71 0 - 7.4-9.1 HB2 GLU 17 - H LYS 24 far 0 91 0 - 9.8-10.5 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 10 assignments used, quality = 1.00: * HG2 LYS 24 + H LYS 24 OK 100 100 100 100 3.5-4.2 1.8/6386=66, 1084=54...(29) HG3 LYS 90 - H GLU 88 far 0 100 0 - 4.8-7.4 HG LEU 27 - H LYS 24 far 0 98 0 - 6.2-6.9 HG2 ARG 19 - H LYS 24 far 0 100 0 - 6.4-9.6 HB3 LEU 29 - H LYS 24 far 0 99 0 - 7.2-8.5 HD3 LYS 94 - H LYS 24 far 0 98 0 - 7.6-11.4 HG3 LYS 90 - H LYS 24 far 0 100 0 - 8.3-11.0 HD2 LYS 94 - H LYS 24 far 0 61 0 - 8.9-11.1 HD3 LYS 94 - H GLU 88 far 0 97 0 - 8.9-10.9 HD2 LYS 94 - H GLU 88 far 0 61 0 - 9.5-12.0 Violated in 5 structures by 0.04 A. Peak 6386 from nnoeabs.peaks (1.51, 7.57, 119.96 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 24 + H LYS 24 OK 100 100 100 100 1.9-4.6 1.8/6385=84, 1096/3.0=73...(26) HB2 ARG 91 - H GLU 88 far 13 89 15 - 4.7-7.2 HB2 LEU 14 - H GLU 88 far 0 96 0 - 7.4-9.1 HG LEU 57 - H GLU 88 far 0 99 0 - 7.7-8.6 Violated in 1 structures by 0.02 A. Peak 6387 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.15 A): 4 out of 10 assignments used, quality = 0.99: HD3 LYS 24 + H LYS 24 OK 90 100 90 100 2.9-5.4 3.0/6385=66, 3.0/6386=61...(27) * HD2 LYS 24 + H LYS 24 OK 85 100 85 100 2.0-5.4 3.0/6385=66, 3.0/6386=61...(27) HB3 ARG 91 + H GLU 88 OK 33 97 35 97 4.6-7.1 3871/3.0=50, ~4024=41...(20) HG2 PRO 86 + H GLU 88 OK 23 100 25 92 4.7-6.5 3.8/6372=39...(14) HD3 LYS 90 - H GLU 88 far 10 100 10 - 4.9-7.6 HG3 LYS 20 - H LYS 24 far 0 91 0 - 5.7-7.7 HD3 LYS 20 - H LYS 24 far 0 91 0 - 6.5-9.2 HD2 LYS 20 - H LYS 24 far 0 94 0 - 6.5-9.4 HD3 LYS 90 - H LYS 24 far 0 100 0 - 8.1-11.5 HD2 ARG 81 - H GLU 88 far 0 76 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 6388 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.15 A): 4 out of 10 assignments used, quality = 0.99: * HD3 LYS 24 + H LYS 24 OK 90 100 90 100 2.9-5.4 3.0/6385=66, 3.0/6386=61...(27) HD2 LYS 24 + H LYS 24 OK 85 100 85 100 2.0-5.4 3.0/6385=66, 3.0/6386=61...(27) HB3 ARG 91 + H GLU 88 OK 33 96 35 97 4.6-7.1 3871/3.0=49, ~4024=41...(20) HG2 PRO 86 + H GLU 88 OK 23 100 25 92 4.7-6.5 3.8/6372=39...(14) HD3 LYS 90 - H GLU 88 far 10 100 10 - 4.9-7.6 HG3 LYS 20 - H LYS 24 far 0 90 0 - 5.7-7.7 HD3 LYS 20 - H LYS 24 far 0 90 0 - 6.5-9.2 HD2 LYS 20 - H LYS 24 far 0 93 0 - 6.5-9.4 HD3 LYS 90 - H LYS 24 far 0 100 0 - 8.1-11.5 HD2 ARG 81 - H GLU 88 far 0 78 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 6389 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 5.65 A): 3 out of 6 assignments used, quality = 1.00: * HE2 LYS 24 + H LYS 24 OK 100 100 100 100 3.4-6.4 3.7/6385=88, 3.7/6386=84...(17) HE3 LYS 24 + H LYS 24 OK 90 100 90 100 3.8-6.8 3.7/6385=88, 3.7/6386=84...(17) HE3 LYS 90 + H GLU 88 OK 47 83 65 88 5.1-7.4 9906/3.6=50, 7.0/7398=39...(10) HG2 MET 21 - H LYS 24 poor 18 90 20 - 5.3-7.1 HG2 MET 21 - H GLU 88 far 0 89 0 - 8.2-10.9 HE3 LYS 90 - H LYS 24 far 0 84 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 6390 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 5.65 A): 3 out of 6 assignments used, quality = 1.00: HE2 LYS 24 + H LYS 24 OK 100 100 100 100 3.4-6.4 3.7/6385=88, 3.7/6386=84...(17) * HE3 LYS 24 + H LYS 24 OK 90 100 90 100 3.8-6.8 3.7/6385=88, 3.7/6386=84...(17) HE3 LYS 90 + H GLU 88 OK 47 83 65 88 5.1-7.4 9906/3.6=50, 7.0/7398=39...(10) HG2 MET 21 - H LYS 24 poor 18 90 20 - 5.3-7.1 HG2 MET 21 - H GLU 88 far 0 89 0 - 8.2-10.9 HE3 LYS 90 - H LYS 24 far 0 84 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 6391 from nnoeabs.peaks (7.71, 7.57, 119.96 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 25 + H LYS 24 OK 100 100 100 100 2.4-2.7 6397=100, 6396/6377=36...(19) H SER 85 - H GLU 88 far 13 89 15 - 3.9-4.6 H MET 21 - H LYS 24 far 0 84 0 - 4.6-5.1 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): 1 out of 2 assignments used, quality = 1.00: HA ALA 25 + H ALA 25 OK 100 100 100 100 2.9-2.9 3.0=100 ! HA MET 21 - H ALA 25 far 0 100 0 - 4.3-5.0 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 = 1.00: * HA ALA 22 + H ALA 25 OK 100 100 100 100 3.3-3.6 1005=67, 1006/6408=45...(15) HA LYS 94 - H ALA 25 far 0 59 0 - 5.5-6.6 HA SER 97 - H ALA 25 far 0 99 0 - 7.4-9.1 HA ARG 19 - H ALA 25 far 0 95 0 - 7.5-8.5 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 3.7-4.0 6376/6397=66...(13) H LEU 27 + H ALA 25 OK 66 68 100 98 3.5-4.2 10489=47, 4.6/6409=47...(12) H LYS 94 - H ALA 25 far 0 98 0 - 7.2-8.1 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 3.8-4.1 6377/6397=62...(11) Violated in 7 structures by 0.03 A. Peak 6397 from nnoeabs.peaks (7.57, 7.71, 119.26 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + H ALA 25 OK 100 100 100 100 2.4-2.7 6391=93, 6377/6396=34...(19) 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 3.4-3.4 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 = 0.82: HB3 LYS 24 + H ALA 25 OK 65 100 70 93 3.1-4.3 4.4=37, 4.0/6397=34...(15) * HB2 LYS 24 + H ALA 25 OK 47 100 50 94 3.1-4.3 4.4=37, 4.0/6397=34...(15) HB3 LYS 20 - H ALA 25 far 0 81 0 - 7.5-8.5 HB3 ARG 19 - H ALA 25 far 0 71 0 - 8.7-10.2 Violated in 10 structures by 0.01 A. Peak 6400 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.82: * HB3 LYS 24 + H ALA 25 OK 65 100 70 93 3.1-4.3 4.4=37, 4.0/6397=34...(15) HB2 LYS 24 + H ALA 25 OK 47 100 50 94 3.1-4.3 4.4=37, 4.0/6397=34...(15) HB3 LYS 20 - H ALA 25 far 0 81 0 - 7.5-8.5 HB3 ARG 19 - H ALA 25 far 0 71 0 - 8.7-10.2 Violated in 10 structures by 0.01 A. Peak 6401 from nnoeabs.peaks (1.59, 7.71, 119.26 ppm; 4.25 A): 1 out of 9 assignments used, quality = 0.98: HG LEU 27 + H ALA 25 OK 98 98 100 100 4.1-4.6 8622/6408=60...(14) ! HG2 LYS 24 - H ALA 25 far 15 100 15 - 3.7-5.5 HD3 LYS 94 - H ALA 25 far 0 98 0 - 7.5-11.0 HB3 LEU 29 - H ALA 25 far 0 99 0 - 7.6-8.8 HB2 LEU 3 - H ALA 25 far 0 71 0 - 8.0-10.5 HG2 ARG 19 - H ALA 25 far 0 100 0 - 8.3-11.3 HD2 LYS 94 - H ALA 25 far 0 61 0 - 8.5-10.6 HG3 LYS 90 - H ALA 25 far 0 100 0 - 9.1-12.2 HB3 GLU 28 - H ALA 25 far 0 88 0 - 9.7-10.2 Violated in 16 structures by 0.19 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 3.9-5.1 1096/3.6=82...(12) Violated in 4 structures by 0.02 A. Peak 6403 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 4.87 A): 2 out of 6 assignments used, quality = 0.87: * HD2 LYS 24 + H ALA 25 OK 74 100 75 99 4.5-6.3 3.0/6402=65, 3.6/6399=50...(10) HD3 LYS 24 + H ALA 25 OK 49 100 50 99 4.9-6.0 3.0/6402=65, 3.6/6400=50...(10) HG3 LYS 20 - H ALA 25 far 0 91 0 - 7.8-10.0 HD3 LYS 90 - H ALA 25 far 0 100 0 - 8.8-12.8 HD2 LYS 20 - H ALA 25 far 0 94 0 - 8.9-11.6 HD3 LYS 20 - H ALA 25 far 0 91 0 - 8.9-11.5 Violated in 3 structures by 0.00 A. Peak 6404 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 4.87 A): 2 out of 6 assignments used, quality = 0.87: HD2 LYS 24 + H ALA 25 OK 74 100 75 99 4.5-6.3 3.0/6402=65, 3.6/6399=50...(10) * HD3 LYS 24 + H ALA 25 OK 49 100 50 99 4.9-6.0 3.0/6402=65, 3.6/6400=50...(10) HG3 LYS 20 - H ALA 25 far 0 90 0 - 7.8-10.0 HD3 LYS 90 - H ALA 25 far 0 100 0 - 8.8-12.8 HD2 LYS 20 - H ALA 25 far 0 93 0 - 8.9-11.6 HD3 LYS 20 - H ALA 25 far 0 90 0 - 8.9-11.5 Violated in 3 structures by 0.00 A. Peak 6407 from nnoeabs.peaks (4.41, 7.71, 119.26 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 25 + H ALA 25 OK 100 100 100 100 2.9-2.9 3.0=100 HA MET 21 - H ALA 25 far 0 100 0 - 4.3-5.0 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 = 0.98: * QB ALA 25 + H ALA 25 OK 98 100 100 98 2.2-2.4 2.9=86, 6413/6409=32...(15) HB3 LEU 27 - H ALA 25 far 0 100 0 - 6.2-6.9 HG2 LYS 94 - H ALA 25 far 0 100 0 - 7.4-9.7 QB ALA 89 - H ALA 25 far 0 100 0 - 9.6-11.2 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 2.2-2.4 6411=95, 6412/3.0=45...(17) H LEU 3 - H ALA 25 far 0 100 0 - 9.3-10.9 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 2.2-2.4 6409=100, 3.0/6412=46...(17) H MET 21 - H ASN 26 far 0 84 0 - 8.1-8.5 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 3.1-3.3 3.6=82, 2.1/6413=59...(15) HA MET 21 - H ASN 26 far 0 100 0 - 6.4-7.1 Violated in 1 structures by 0.00 A. Peak 6413 from nnoeabs.peaks (1.34, 7.84, 115.27 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 25 + H ASN 26 OK 100 100 100 100 3.2-3.5 3.6=96, 2.1/6412=73...(21) HB3 LEU 27 - H ASN 26 far 0 100 0 - 6.2-6.4 HG2 LYS 94 - H ASN 26 far 0 100 0 - 9.1-11.7 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 = 0.95: * HA ASN 26 + H ASN 26 OK 95 100 100 95 2.3-2.3 3.0=73, 6434/6419=34...(9) Violated in 0 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 3.0-3.7 3.8=85, 3.0/6414=71...(7) Violated in 11 structures by 0.05 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 - 9.2-10.4 Violated in 20 structures by 0.18 A. Peak 6418 from nnoeabs.peaks (7.47, 7.84, 115.27 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + H ASN 26 OK 100 100 100 100 3.3-4.7 5.5=100 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 4 assignments used, quality = 1.00: * H LEU 27 + H ASN 26 OK 100 100 100 100 2.8-3.1 6433=98, 6434/6414=55...(14) H GLU 23 - H ASN 26 far 0 68 0 - 4.7-5.1 H SER 97 - H ASN 26 far 0 85 0 - 8.2-9.5 H LYS 94 - H ASN 26 far 0 88 0 - 9.2-10.1 Violated in 4 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 4.0-5.6 5.5=100 H LEU 3 - HD21 ASN 26 far 0 100 0 - 7.1-11.6 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 3.3-4.9 4.4=100 Violated in 2 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 3.4-4.1 3.5=100 Violated in 1 structures by 0.01 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 3.7-4.1 3.5=100 Violated in 8 structures by 0.00 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 3.3-4.7 5.5=100 H LEU 3 - HD22 ASN 26 far 5 100 5 - 6.2-10.0 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 1.9-4.5 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 2.1-3.5 3.5=100 Violated in 1 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 2.8-3.5 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 2.8-3.1 6419=100, 6414/6434=56...(14) H LEU 3 - H LEU 27 far 0 100 0 - 6.4-7.7 Violated in 1 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 2.5-2.8 1165=64, 6414/6419=51...(10) 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 4.3-4.6 3.0/6434=85, 1172=83...(7) Violated in 14 structures by 0.10 A. Peak 6436 from nnoeabs.peaks (3.07, 8.24, 116.83 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 26 + H LEU 27 OK 100 100 100 100 4.2-4.4 1179=91, 3.0/6434=83...(8) HB2 PHE 96 - H LEU 27 far 0 73 0 - 8.1-9.3 HD3 ARG 30 - H LEU 27 far 0 95 0 - 9.6-13.6 Violated in 18 structures by 0.07 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 2.6-2.9 1188=55, 3.0/6442=48...(16) QB ALA 22 + H LEU 27 OK 81 90 100 91 3.1-3.6 2.1/8638=45...(14) HG LEU 29 - H LEU 27 far 0 90 0 - 8.0-9.8 HG2 LYS 20 - H LEU 27 far 0 100 0 - 10.0-11.4 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, 1.8/1188=57...(15) QB ALA 25 + H LEU 27 OK 99 100 100 99 3.3-4.1 6413/6419=46...(15) HB3 LEU 2 - H LEU 27 far 0 99 0 - 8.4-10.1 HG3 LYS 94 - H LEU 27 far 0 63 0 - 9.2-12.2 Violated in 16 structures by 0.07 A. Peak 6442 from nnoeabs.peaks (1.60, 8.24, 116.83 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.99: * HG LEU 27 + H LEU 27 OK 99 100 100 99 2.8-3.4 1204=53, 3.0/1188=42...(17) HB3 LEU 29 - H LEU 27 far 0 100 0 - 5.9-7.3 HB3 GLU 28 - H LEU 27 far 0 68 0 - 6.0-6.6 HG2 LYS 24 - H LEU 27 far 0 98 0 - 7.6-9.3 HG2 ARG 19 - H LEU 27 far 0 98 0 - 8.1-11.3 Violated in 5 structures by 0.01 A. Peak 6443 from nnoeabs.peaks (0.73, 8.24, 116.83 ppm; 3.72 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 27 + H LEU 27 OK 100 100 100 100 3.4-4.0 2.1/6442=78, 1213/3.0=62...(17) QD1 LEU 27 + H LEU 27 OK 59 59 100 100 3.8-4.4 2.1/6442=78, 3.1/1188=52...(20) QG2 ILE 93 - H LEU 27 far 0 91 0 - 4.6-5.8 QG1 VAL 5 - H LEU 27 far 0 100 0 - 6.8-8.6 HG13 ILE 93 - H LEU 27 far 0 97 0 - 7.6-10.5 QG1 VAL 54 - H LEU 27 far 0 73 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 6444 from nnoeabs.peaks (0.77, 8.24, 116.83 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 27 + H LEU 27 OK 100 100 100 100 3.8-4.4 2.1/6442=80, 3.1/1188=54...(21) QD2 LEU 27 + H LEU 27 OK 59 59 100 100 3.4-4.0 2.1/6442=80, 3.1/1188=54...(17) QG2 ILE 93 - H LEU 27 far 5 94 5 - 4.6-5.8 QD1 ILE 93 - H LEU 27 far 0 100 0 - 6.9-8.2 HG13 ILE 93 - H LEU 27 far 0 85 0 - 7.6-10.5 QG1 VAL 54 - H LEU 27 far 0 100 0 - 9.4-10.6 QD2 LEU 57 - H LEU 27 far 0 82 0 - 9.4-11.3 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 4.3-4.4 1187/3.0=65, 4.6=46...(9) H LYS 20 - H LEU 27 far 0 100 0 - 8.9-9.8 HE ARG 30 - H LEU 27 far 0 99 0 - 9.6-13.0 Violated in 20 structures by 0.76 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): 1 out of 3 assignments used, quality = 1.00: * H LEU 27 + H GLU 28 OK 100 100 100 100 4.3-4.4 4.6=100 H GLU 23 - H GLU 28 far 0 68 0 - 7.2-8.4 H SER 97 - H GLU 28 far 0 85 0 - 8.9-10.2 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 1 assignment used, quality = 1.00: * HA LEU 27 + H GLU 28 OK 100 100 100 100 2.1-2.6 1187=100, 3.0/6445=45...(11) 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 5 assignments used, quality = 1.00: * HB2 LEU 27 + H GLU 28 OK 100 100 100 100 3.0-4.2 1195=92, 1.8/6450=77...(11) QB ALA 22 + H GLU 28 OK 80 90 95 94 3.6-5.0 10452/3.0=33...(12) HG LEU 29 - H GLU 28 far 0 90 0 - 7.1-7.8 HG13 ILE 52 - H GLU 28 far 0 100 0 - 7.8-9.2 HG3 LYS 53 - H GLU 28 far 0 99 0 - 9.4-12.3 Violated in 1 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 2.0-3.3 1203=92, 3.0/1187=74...(13) HB3 LEU 2 - H GLU 28 far 0 99 0 - 5.3-7.6 QB ALA 25 - H GLU 28 far 0 100 0 - 5.8-6.8 HB3 ARG 30 - H GLU 28 far 0 82 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (1.60, 7.80, 121.34 ppm; 4.03 A): 2 out of 5 assignments used, quality = 0.80: HB3 GLU 28 + H GLU 28 OK 67 68 100 100 2.1-2.6 4.0=100 * HG LEU 27 + H GLU 28 OK 40 100 40 100 4.7-5.3 2.1/1219=68...(9) HB3 LEU 29 - H GLU 28 far 0 100 0 - 5.7-6.7 HB2 ARG 30 - H GLU 28 far 0 100 0 - 8.5-9.9 HG2 ARG 19 - H GLU 28 far 0 98 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 6452 from nnoeabs.peaks (0.73, 7.80, 121.34 ppm; 4.23 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 27 + H GLU 28 OK 100 100 100 100 3.1-3.7 1219=100, 1213/1187=75...(11) QD1 LEU 27 + H GLU 28 OK 59 59 100 100 3.9-4.9 4.7=75, 2.1/1219=74...(11) QG2 ILE 93 - H GLU 28 far 0 91 0 - 5.5-6.8 QG1 VAL 5 - H GLU 28 far 0 100 0 - 6.0-7.4 QG1 VAL 54 - H GLU 28 far 0 73 0 - 6.4-7.8 QD1 ILE 52 - H GLU 28 far 0 68 0 - 7.4-9.0 HG13 ILE 93 - H GLU 28 far 0 97 0 - 7.4-11.0 QD1 ILE 56 - H GLU 28 far 0 90 0 - 9.4-12.5 QG1 VAL 78 - H GLU 28 far 0 96 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 6453 from nnoeabs.peaks (0.77, 7.80, 121.34 ppm; 4.54 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 27 + H GLU 28 OK 100 100 100 100 3.9-4.9 1227=100, 2.1/1219=83...(11) QD2 LEU 27 + H GLU 28 OK 59 59 100 100 3.1-3.7 4.7=93, 2.1/1227=74...(12) QG2 ILE 93 - H GLU 28 far 0 94 0 - 5.5-6.8 QG1 VAL 54 - H GLU 28 far 0 100 0 - 6.4-7.8 HG13 ILE 93 - H GLU 28 far 0 85 0 - 7.4-11.0 QD1 ILE 93 - H GLU 28 far 0 100 0 - 7.5-9.1 QD1 LEU 6 - H GLU 28 far 0 100 0 - 8.4-9.6 QD2 LEU 57 - H GLU 28 far 0 82 0 - 8.5-10.8 QG2 ILE 52 - H GLU 28 far 0 99 0 - 8.6-10.1 QG1 VAL 78 - H GLU 28 far 0 88 0 - 9.7-12.4 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 2.8-2.9 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 1 assignment used, quality = 1.00: * HB2 GLU 28 + H GLU 28 OK 100 100 100 100 2.8-3.7 1235=100, 1.8/1242=78...(9) Violated in 0 structures by 0.00 A. Peak 6456 from nnoeabs.peaks (1.56, 7.80, 121.34 ppm; 3.62 A): 1 out of 7 assignments used, quality = 0.99: * HB3 GLU 28 + H GLU 28 OK 99 100 100 99 2.1-2.6 1242=90, 1.8/1235=68...(11) HB2 LEU 3 - H GLU 28 poor 17 99 25 67 4.0-5.7 10132/1219=43...(5) HG LEU 27 - H GLU 28 far 0 68 0 - 4.7-5.3 HB3 LEU 29 - H GLU 28 far 0 71 0 - 5.7-6.7 HG3 ARG 30 - H GLU 28 far 0 71 0 - 6.9-10.2 HG LEU 6 - H GLU 28 far 0 61 0 - 8.2-9.6 HG2 ARG 19 - H GLU 28 far 0 90 0 - 9.3-12.5 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 7 assignments used, quality = 1.00: HG3 GLU 28 + H GLU 28 OK 97 100 100 97 3.2-4.6 3.0/1242=65, 3.0/1235=64...(8) * HG2 GLU 28 + H GLU 28 OK 97 100 100 97 3.5-4.8 3.0/1242=65, 3.0/1235=64...(8) HG12 ILE 93 - H GLU 28 far 0 84 0 - 7.0-10.1 QE MET 21 - H GLU 28 far 0 68 0 - 8.2-9.9 HB2 GLU 23 - H GLU 28 far 0 88 0 - 8.7-9.9 HB2 MET 21 - H GLU 28 far 0 98 0 - 9.1-12.1 HB3 GLU 48 - H GLU 28 far 0 96 0 - 9.6-12.5 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 7 assignments used, quality = 1.00: * HG3 GLU 28 + H GLU 28 OK 97 100 100 97 3.2-4.6 3.0/1242=65, 3.0/1235=64...(8) HG2 GLU 28 + H GLU 28 OK 97 100 100 97 3.5-4.8 3.0/1242=65, 3.0/1235=64...(8) HG12 ILE 93 - H GLU 28 far 0 84 0 - 7.0-10.1 QE MET 21 - H GLU 28 far 0 68 0 - 8.2-9.9 HB2 GLU 23 - H GLU 28 far 0 88 0 - 8.7-9.9 HB2 MET 21 - H GLU 28 far 0 98 0 - 9.1-12.1 HB3 GLU 48 - H GLU 28 far 0 96 0 - 9.6-12.5 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 3 assignments used, quality = 1.00: * H LEU 29 + H GLU 28 OK 100 100 100 100 3.8-4.5 4.5=100 H LYS 53 - H GLU 28 far 0 96 0 - 7.8-8.6 H VAL 54 - H GLU 28 far 0 59 0 - 9.6-10.6 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 3.8-4.5 4.5=100 HE ARG 30 - H LEU 29 poor 20 99 20 - 3.6-8.2 H LYS 20 - H LEU 29 far 0 100 0 - 7.8-8.9 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...(10) 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 3.2-4.2 3.0/6462=82, 4.6=69...(10) HG3 ARG 19 - H LEU 29 far 0 94 0 - 6.7-8.6 Violated in 5 structures by 0.01 A. Peak 6464 from nnoeabs.peaks (1.56, 8.45, 126.55 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.79: HB3 LEU 29 + H LEU 29 OK 70 71 100 98 2.3-2.7 1.8/6468=66, 4.0=64...(16) * HB3 GLU 28 + H LEU 29 OK 29 100 30 98 4.0-4.7 3.0/6462=64, 1.8/6463=55...(10) HG3 ARG 30 - H LEU 29 far 0 71 0 - 4.4-7.1 HG2 ARG 19 - H LEU 29 far 0 90 0 - 5.1-8.4 HG LEU 27 - H LEU 29 far 0 68 0 - 6.6-8.0 HG LEU 6 - H LEU 29 far 0 61 0 - 7.4-8.8 HB2 LEU 3 - H LEU 29 far 0 99 0 - 7.7-8.9 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 = 0.90: * HG2 GLU 28 + H LEU 29 OK 69 100 70 98 2.9-5.5 3.7/6462=70, 3.0/6463=61...(8) HG3 GLU 28 + H LEU 29 OK 69 100 70 98 2.3-5.6 3.7/6462=70, 3.0/6463=61...(8) HG12 ILE 93 - H LEU 29 far 0 84 0 - 6.9-9.3 HB2 GLU 23 - H LEU 29 far 0 88 0 - 7.1-8.6 QE MET 21 - H LEU 29 far 0 68 0 - 8.2-9.6 HB2 MET 21 - H LEU 29 far 0 98 0 - 8.3-10.3 Violated in 9 structures by 0.01 A. Peak 6466 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.90: HG2 GLU 28 + H LEU 29 OK 69 100 70 98 2.9-5.5 3.7/6462=70, 3.0/6463=61...(8) * HG3 GLU 28 + H LEU 29 OK 69 100 70 98 2.3-5.6 3.7/6462=70, 3.0/6463=61...(8) HG12 ILE 93 - H LEU 29 far 0 84 0 - 6.9-9.3 HB2 GLU 23 - H LEU 29 far 0 88 0 - 7.1-8.6 QE MET 21 - H LEU 29 far 0 68 0 - 8.2-9.6 HB2 MET 21 - H LEU 29 far 0 98 0 - 8.3-10.3 Violated in 9 structures by 0.01 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 = 1.00: * HB2 LEU 29 + H LEU 29 OK 100 100 100 100 2.7-3.4 1.8/6469=81, 4.0=77...(19) QG2 THR 31 - H LEU 29 far 0 93 0 - 7.0-7.8 HB3 LEU 3 - H LEU 29 far 0 99 0 - 7.5-9.5 HB2 LEU 6 - H LEU 29 far 0 92 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 6469 from nnoeabs.peaks (1.60, 8.45, 126.55 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.98: * HB3 LEU 29 + H LEU 29 OK 98 100 100 98 2.3-2.7 1.8/6468=63, 4.0=60...(17) HB3 GLU 28 - H LEU 29 poor 14 71 20 - 4.0-4.7 HG2 ARG 19 - H LEU 29 far 0 99 0 - 5.1-8.4 HB2 ARG 30 - H LEU 29 far 0 100 0 - 6.0-7.2 HG LEU 27 - H LEU 29 far 0 100 0 - 6.6-8.0 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 4 assignments used, quality = 1.00: * HG LEU 29 + H LEU 29 OK 100 100 100 100 4.5-4.6 3.0/6469=66, 3.0/6468=60...(14) QB ALA 22 + H LEU 29 OK 98 100 100 98 2.7-4.0 8586=54, 8577/6468=46...(15) HB2 LEU 27 + H LEU 29 OK 25 90 45 62 4.2-5.9 1195/4.5=32...(6) HG2 LYS 20 - H LEU 29 far 0 90 0 - 8.9-11.3 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 3.6-4.1 3.1/6469=66, 3.1/6468=61...(16) QD1 LEU 29 + H LEU 29 OK 98 99 100 100 4.3-4.7 3.1/6469=66, 3.1/6468=61...(16) QG2 VAL 54 - H LEU 29 far 0 98 0 - 8.1-9.4 QD1 ILE 7 - H LEU 29 far 0 90 0 - 8.5-9.3 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 4.3-4.7 3.1/6469=66, 3.1/6468=61...(16) QD2 LEU 29 + H LEU 29 OK 98 99 100 100 3.6-4.1 3.1/6469=66, 3.1/6468=61...(16) QD2 LEU 6 - H LEU 29 far 0 71 0 - 5.6-7.5 QG2 VAL 54 - H LEU 29 far 0 100 0 - 8.1-9.4 QD1 ILE 7 - H LEU 29 far 0 71 0 - 8.5-9.3 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 4.2-4.6 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 4.2-4.6 2.9/6476=76, 4.6=61...(11) H ILE 7 + H ARG 30 OK 98 100 100 99 3.7-4.6 8238=71, 6072/8698=62...(14) H VAL 32 - H ARG 30 far 0 79 0 - 6.4-7.1 Violated in 8 structures by 0.02 A. Peak 6476 from nnoeabs.peaks (5.66, 9.09, 125.04 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 29 + H ARG 30 OK 98 100 100 98 2.1-2.3 1270=68, 3.6/6479=32...(13) Violated in 0 structures by 0.00 A. Peak 6477 from nnoeabs.peaks (1.16, 9.09, 125.04 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + H ARG 30 OK 100 100 100 100 3.8-4.2 2.9/6476=79, 4.3=78...(13) QG2 THR 31 + H ARG 30 OK 32 93 40 87 4.6-5.5 4.0/6491=40...(8) HB2 LEU 6 - H ARG 30 far 9 92 10 - 4.3-5.7 HB2 LEU 57 - H ARG 30 far 0 65 0 - 8.9-10.2 HB3 LEU 3 - H ARG 30 far 0 99 0 - 9.2-10.4 Violated in 3 structures by 0.01 A. Peak 6478 from nnoeabs.peaks (1.60, 9.09, 125.04 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + H ARG 30 OK 100 100 100 100 3.8-4.4 2.9/6476=74, 4.3=68...(11) HB2 ARG 30 + H ARG 30 OK 99 100 100 100 2.7-3.8 4.0=84, 1.8/6484=76...(12) HG2 ARG 19 - H ARG 30 far 0 99 0 - 5.2-9.1 HB3 GLU 28 - H ARG 30 far 0 71 0 - 6.0-7.4 HG LEU 27 - H ARG 30 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 6479 from nnoeabs.peaks (1.44, 9.09, 125.04 ppm; 3.44 A): 1 out of 6 assignments used, quality = 0.99: * HG LEU 29 + H ARG 30 OK 99 100 100 99 2.0-2.9 1294=57, 2.1/1302=52...(14) QB ALA 22 - H ARG 30 far 0 100 0 - 5.0-5.9 HB2 LEU 27 - H ARG 30 far 0 90 0 - 7.4-8.4 HG12 ILE 7 - H ARG 30 far 0 99 0 - 7.5-8.2 HB2 LEU 38 - H ARG 30 far 0 92 0 - 9.1-12.0 HG LEU 38 - H ARG 30 far 0 87 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 6480 from nnoeabs.peaks (0.64, 9.09, 125.04 ppm; 3.39 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + H ARG 30 OK 100 100 100 100 2.5-3.6 2.1/6479=64, 1302=59...(18) QD1 LEU 29 + H ARG 30 OK 83 99 85 99 3.7-4.4 2.1/6479=64, 2.1/1302=50...(14) QD1 ILE 7 - H ARG 30 far 0 90 0 - 6.2-7.2 QG2 VAL 54 - H ARG 30 far 0 98 0 - 6.6-7.7 Violated in 2 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (0.65, 9.09, 125.04 ppm; 3.39 A): 3 out of 6 assignments used, quality = 1.00: QD2 LEU 29 + H ARG 30 OK 98 99 100 100 2.5-3.6 2.1/6479=64, 1302=58...(18) * QD1 LEU 29 + H ARG 30 OK 84 100 85 99 3.7-4.4 2.1/6479=64, 2.1/1302=50...(14) QD2 LEU 6 + H ARG 30 OK 64 71 100 90 2.3-4.0 4.0/8698=35, 10232=29...(13) QD1 ILE 7 - H ARG 30 far 0 71 0 - 6.2-7.2 QG2 VAL 54 - H ARG 30 far 0 100 0 - 6.6-7.7 QD1 LEU 42 - H ARG 30 far 0 68 0 - 9.4-10.6 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 69 90 80 96 4.7-5.0 3.0/6491=50...(12) HA ILE 56 - H ARG 30 far 0 75 0 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 6483 from nnoeabs.peaks (1.60, 9.09, 125.04 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 30 + H ARG 30 OK 100 100 100 100 2.7-3.8 4.0=84, 1.8/6484=76...(12) HB3 LEU 29 + H ARG 30 OK 99 100 100 100 3.8-4.4 2.9/6476=74, 4.3=68...(11) HG2 ARG 19 - H ARG 30 far 0 94 0 - 5.2-9.1 HG LEU 27 - H ARG 30 far 0 100 0 - 9.7-10.7 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 2.4-3.8 4.0=80, 2.9/6485=48...(12) HB3 LEU 27 - H ARG 30 far 0 82 0 - 7.1-8.2 HG12 ILE 8 - H ARG 30 far 0 99 0 - 7.9-8.9 QB ALA 89 - H ARG 30 far 0 73 0 - 8.5-9.3 QB ALA 25 - H ARG 30 far 0 73 0 - 9.2-10.4 QB ALA 67 - H ARG 30 far 0 70 0 - 9.5-10.6 HG3 LYS 40 - H ARG 30 far 0 98 0 - 9.7-14.0 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 3.7-4.5 2.9/6484=73, 4.9=68...(13) Violated in 5 structures by 0.02 A. Peak 6486 from nnoeabs.peaks (1.53, 9.09, 125.04 ppm; 4.04 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + H ARG 30 OK 100 100 100 100 3.4-4.9 1.8/6485=68, 2.9/6484=65...(11) HG LEU 6 + H ARG 30 OK 88 100 95 93 3.5-5.0 2.1/10232=60...(7) HB ILE 7 - H ARG 30 far 0 99 0 - 5.0-6.0 HB3 GLU 28 - H ARG 30 far 0 71 0 - 6.0-7.4 HG12 ILE 56 - H ARG 30 far 0 100 0 - 7.1-10.5 HG LEU 57 - H ARG 30 far 0 79 0 - 8.1-9.5 HB2 LEU 3 - H ARG 30 far 0 88 0 - 9.3-10.5 Violated in 2 structures by 0.01 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 4.4-4.5 1319/3.0=76, 6491=66...(12) H ILE 7 + H ARG 30 OK 57 61 100 94 3.7-4.6 3.6/8698=56, 8238=40...(14) H VAL 32 - H ARG 30 far 0 96 0 - 6.4-7.1 Violated in 1 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 4.4-4.5 4.6=99, 3.0/1319=89...(13) 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 96 100 100 96 2.3-2.5 1319=72, 3.0/6493=33...(12) HA THR 31 + H THR 31 OK 88 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 - 8.9-9.8 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 4 assignments used, quality = 1.00: * HB2 ARG 30 + H THR 31 OK 100 100 100 100 2.3-3.7 3.0/1319=64, 1.8/6494=62...(14) HG2 ARG 19 - H THR 31 far 0 94 0 - 5.9-10.0 HB3 LEU 29 - H THR 31 far 0 100 0 - 6.6-7.2 HG3 LYS 12 - H THR 31 far 0 99 0 - 9.5-12.5 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 2.3-4.1 1.8/6493=85, 3.0/1319=75...(14) HG12 ILE 8 - H THR 31 far 0 99 0 - 7.0-7.9 HG3 LYS 40 - H THR 31 far 0 98 0 - 7.8-11.9 QB ALA 67 - H THR 31 far 0 70 0 - 9.9-11.3 QB ALA 89 - H THR 31 far 0 73 0 - 9.9-10.8 Violated in 1 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 2.4-4.8 1.8/6496=90, 2.9/6493=84...(13) Violated in 4 structures by 0.00 A. Peak 6496 from nnoeabs.peaks (1.53, 8.50, 114.75 ppm; 4.23 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + H THR 31 OK 100 100 100 100 3.2-4.4 2.9/6493=72, 3.9/1319=65...(12) HG LEU 6 - H THR 31 far 0 100 0 - 5.7-7.5 HG3 LYS 33 - H THR 31 far 0 84 0 - 6.4-7.1 HB ILE 7 - H THR 31 far 0 99 0 - 6.7-6.9 HG2 LYS 33 - H THR 31 far 0 94 0 - 6.8-7.5 HG12 ILE 56 - H THR 31 far 0 100 0 - 9.1-13.0 HB3 GLU 28 - H THR 31 far 0 71 0 - 9.5-10.5 Violated in 17 structures by 0.06 A. Peak 6497 from nnoeabs.peaks (2.67, 8.50, 114.75 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + H THR 31 OK 100 100 100 100 2.2-5.2 1364=100, 1.8/6498=95...(10) HB3 TYR 41 - H THR 31 far 0 68 0 - 6.8-7.9 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 2.3-4.8 1373=75, 1366/1319=72...(11) Violated in 3 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 88 90 100 99 2.3-2.5 1319=83, 3.0/6493=41...(13) HA ILE 56 - H THR 31 far 0 99 0 - 8.9-9.8 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 3.5-3.7 3.9=94, 2.1/6501=79...(7) 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 3.0-3.4 4.0=60, 2.1/6500=54...(9) HB2 LEU 6 - H THR 31 far 0 59 0 - 5.2-7.6 HB2 LEU 29 - H THR 31 far 0 93 0 - 7.5-7.8 QG2 THR 34 - H THR 31 far 0 70 0 - 9.4-9.9 HG2 LYS 40 - H THR 31 far 0 95 0 - 9.4-10.8 Violated in 11 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 = 0.90: * HA THR 31 + H VAL 32 OK 90 100 100 90 2.2-2.4 3.6=58, 3.0/6506=36...(8) HA ARG 30 - H VAL 32 far 0 90 0 - 6.3-6.5 HA ILE 56 - H VAL 32 far 0 99 0 - 7.2-8.2 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 2.4-3.2 3.0/6505=67, 2.1/6507=64...(10) Violated in 0 structures by 0.00 A. Peak 6507 from nnoeabs.peaks (1.14, 8.48, 122.32 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 31 + H VAL 32 OK 100 100 100 100 3.0-3.6 4.0=85, 2.1/6506=73...(9) HB2 LEU 6 - H VAL 32 far 9 59 15 - 4.3-7.0 QG2 THR 34 - H VAL 32 far 0 70 0 - 7.3-7.6 HB2 LEU 29 - H VAL 32 far 0 93 0 - 9.5-10.1 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 - 7.0-7.3 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 2.6-2.9 3.9=67, 2.1/6511=43...(13) HB2 GLU 37 - H VAL 32 far 0 63 0 - 5.3-5.8 HB2 LYS 33 - H VAL 32 far 0 88 0 - 6.0-6.8 HB3 LYS 33 - H VAL 32 far 0 85 0 - 6.1-6.9 HB3 ARG 19 - H VAL 32 far 0 99 0 - 8.4-12.2 HB3 LEU 14 - H VAL 32 far 0 61 0 - 8.7-10.8 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 3.7-3.9 4.0=94, 2.1/6509=80...(12) HG13 ILE 8 + H VAL 32 OK 71 92 80 97 3.7-5.3 12203/6509=48...(13) HG13 ILE 7 - H VAL 32 far 0 97 0 - 5.3-6.0 QG2 VAL 5 - H VAL 32 far 0 57 0 - 9.1-10.1 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 8 assignments used, quality = 0.99: * QG2 VAL 32 + H VAL 32 OK 97 100 100 97 2.9-3.3 2.1/6509=61, 4.0=56...(11) QG2 ILE 7 + H VAL 32 OK 61 71 100 85 2.8-3.3 8255/6505=28...(14) QD2 LEU 38 - H VAL 32 far 0 99 0 - 4.5-7.1 QG2 ILE 15 - H VAL 32 far 0 90 0 - 5.0-6.0 QD1 LEU 38 - H VAL 32 far 0 79 0 - 5.3-8.5 QD2 LEU 57 - H VAL 32 far 0 65 0 - 6.8-8.7 QD1 LEU 70 - H VAL 32 far 0 96 0 - 8.4-11.7 QD1 LEU 57 - H VAL 32 far 0 100 0 - 8.7-9.6 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 4.2-4.4 4.6=100 H LEU 6 - H VAL 32 far 0 99 0 - 7.1-8.2 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 3 assignments used, quality = 1.00: * H VAL 32 + H LYS 33 OK 100 100 100 100 4.2-4.4 4.6=100 H THR 31 - H LYS 33 far 0 96 0 - 6.6-7.1 H ILE 7 - H LYS 33 far 0 90 0 - 7.1-8.4 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 = 0.99: * HA VAL 32 + H LYS 33 OK 99 100 100 99 2.1-2.2 1394=94, 3.2/6517=32...(15) HA SER 9 - H LYS 33 far 0 94 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 6516 from nnoeabs.peaks (1.94, 9.30, 123.65 ppm; 3.07 A): 3 out of 4 assignments used, quality = 0.99: HB2 LYS 33 + H LYS 33 OK 87 88 100 98 2.8-3.8 4.1=43, 2.8/6523=40...(18) HB3 LYS 33 + H LYS 33 OK 84 85 100 98 2.8-3.8 4.1=43, 2.8/6523=40...(18) HB2 GLU 37 + H LYS 33 OK 55 63 100 87 2.6-3.4 1.8/8818=25, 3.0/8816=23...(11) ! HB VAL 32 - H LYS 33 far 5 100 5 - 4.0-4.3 Violated in 0 structures by 0.00 A. Peak 6517 from nnoeabs.peaks (0.91, 9.30, 123.65 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 32 + H LYS 33 OK 100 100 100 100 2.0-2.5 1406=94, 3.2/6515=65...(18) HG13 ILE 8 - H LYS 33 far 9 92 10 - 4.4-7.3 HG13 ILE 7 - H LYS 33 far 0 97 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 6518 from nnoeabs.peaks (0.83, 9.30, 123.65 ppm; 4.07 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 32 + H LYS 33 OK 100 100 100 100 3.6-4.0 1412=100, 2.1/6517=81...(15) QD2 LEU 38 - H LYS 33 far 0 99 0 - 5.1-6.1 QD1 LEU 38 - H LYS 33 far 0 79 0 - 5.3-7.9 QG2 ILE 7 - H LYS 33 far 0 71 0 - 6.4-6.9 QD1 LEU 70 - H LYS 33 far 0 96 0 - 7.4-10.2 QG2 ILE 15 - H LYS 33 far 0 90 0 - 7.9-8.6 QD2 LEU 70 - H LYS 33 far 0 87 0 - 8.8-11.3 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): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 33 + H LYS 33 OK 98 100 100 98 2.8-3.8 4.1=43, 2.8/6523=40...(18) * HB2 LYS 33 + H LYS 33 OK 98 100 100 98 2.8-3.8 4.1=43, 2.8/6523=40...(17) HB VAL 32 - H LYS 33 far 4 88 5 - 4.0-4.3 HB ILE 8 - H LYS 33 far 0 90 0 - 7.1-8.0 HG LEU 42 - H LYS 33 far 0 91 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 6521 from nnoeabs.peaks (1.92, 9.30, 123.65 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 33 + H LYS 33 OK 98 100 100 98 2.8-3.8 4.1=43, 2.8/6523=40...(18) HB2 LYS 33 + H LYS 33 OK 98 100 100 98 2.8-3.8 4.1=43, 2.8/6523=40...(17) HB VAL 32 - H LYS 33 far 4 85 5 - 4.0-4.3 HB ILE 8 - H LYS 33 far 0 92 0 - 7.1-8.0 HG LEU 42 - H LYS 33 far 0 93 0 - 10.0-11.0 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 5 assignments used, quality = 1.00: * HG2 LYS 33 + H LYS 33 OK 100 100 100 100 2.2-2.9 1446=64, 1.8/1457=60...(21) HG3 ARG 30 - H LYS 33 far 0 94 0 - 8.0-10.7 HG LEU 6 - H LYS 33 far 0 88 0 - 9.1-10.1 HB ILE 7 - H LYS 33 far 0 84 0 - 9.6-10.1 HG12 ILE 56 - H LYS 33 far 0 95 0 - 9.6-13.6 Violated in 0 structures by 0.00 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 2.5-3.1 1457=65, 1418/3.0=61...(22) HD3 LYS 40 - H LYS 33 far 0 59 0 - 7.2-9.5 HG3 ARG 30 - H LYS 33 far 0 84 0 - 8.0-10.7 HG LEU 6 - H LYS 33 far 0 91 0 - 9.1-10.1 HB ILE 7 - H LYS 33 far 0 94 0 - 9.6-10.1 HG12 ILE 56 - H LYS 33 far 0 82 0 - 9.6-13.6 HG3 LYS 66 - H LYS 33 far 0 99 0 - 9.9-13.6 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 3 assignments used, quality = 1.00: * HD2 LYS 33 + H LYS 33 OK 100 100 100 100 4.4-5.0 3.0/6523=80, 3.0/6522=79...(23) HD3 LYS 33 + H LYS 33 OK 100 100 100 100 4.5-5.0 3.0/6523=80, 3.0/6522=79...(21) HG12 ILE 15 - H LYS 33 far 0 75 0 - 7.7-8.8 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 3 assignments used, quality = 1.00: HD2 LYS 33 + H LYS 33 OK 100 100 100 100 4.4-5.0 3.0/6523=80, 3.0/6522=79...(23) * HD3 LYS 33 + H LYS 33 OK 100 100 100 100 4.5-5.0 3.0/6523=80, 3.0/6522=79...(21) HG12 ILE 15 - H LYS 33 far 0 75 0 - 7.7-8.8 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 1.9-2.3 6530=100, 8749/6517=37...(18) 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 1.9-2.3 6528=84, 6517/8749=33...(18) 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 3.5-3.6 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): 2 out of 4 assignments used, quality = 0.98: HB3 LYS 33 + H THR 34 OK 90 100 95 95 2.6-4.1 4.4=39, 4.1/6530=38...(11) * HB2 LYS 33 + H THR 34 OK 80 100 85 94 2.4-4.2 4.4=39, 4.1/6530=38...(10) HB VAL 32 - H THR 34 far 0 88 0 - 4.8-5.8 HB ILE 8 - H THR 34 far 0 90 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 6533 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.22 A): 2 out of 4 assignments used, quality = 0.98: * HB3 LYS 33 + H THR 34 OK 90 100 95 94 2.6-4.1 4.4=39, 4.1/6530=38...(10) HB2 LYS 33 + H THR 34 OK 80 100 85 94 2.4-4.2 4.4=39, 4.1/6530=38...(10) HB VAL 32 - H THR 34 far 0 85 0 - 4.8-5.8 HB ILE 8 - H THR 34 far 0 92 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 6534 from nnoeabs.peaks (1.55, 7.25, 106.30 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 33 + H THR 34 OK 100 100 100 100 3.2-3.9 6522/6530=77, 4.9=74...(9) HG3 ARG 30 - H THR 34 far 0 94 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 6535 from nnoeabs.peaks (1.50, 7.25, 106.30 ppm; 4.32 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 33 + H THR 34 OK 100 100 100 100 4.1-4.4 6523/6530=75...(10) HD3 LYS 40 - H THR 34 far 0 59 0 - 7.5-9.6 HG3 LYS 66 - H THR 34 far 0 99 0 - 8.2-12.2 HG3 ARG 30 - H THR 34 far 0 84 0 - 9.6-12.6 HG2 LYS 66 - H THR 34 far 0 98 0 - 9.8-13.6 Violated in 17 structures by 0.04 A. Peak 6536 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 5.12 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 33 + H THR 34 OK 100 100 100 100 5.0-5.7 3.0/6535=81, 3.0/6534=79...(9) * HD2 LYS 33 + H THR 34 OK 100 100 100 100 5.3-6.0 3.0/6535=81, 3.0/6534=79...(9) HG LEU 70 - H THR 34 far 0 84 0 - 9.2-12.0 HD3 LYS 66 - H THR 34 far 0 88 0 - 9.6-14.0 HG12 ILE 15 - H THR 34 far 0 75 0 - 9.6-10.6 HB3 LEU 70 - H THR 34 far 0 99 0 - 10.0-11.6 Violated in 1 structures by 0.00 A. Peak 6537 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 5.12 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 33 + H THR 34 OK 100 100 100 100 5.0-5.7 3.0/6535=81, 3.0/6534=79...(9) HD2 LYS 33 + H THR 34 OK 100 100 100 100 5.3-6.0 3.0/6535=81, 3.0/6534=79...(9) HG LEU 70 - H THR 34 far 0 84 0 - 9.2-12.0 HD3 LYS 66 - H THR 34 far 0 88 0 - 9.6-14.0 HG12 ILE 15 - H THR 34 far 0 75 0 - 9.6-10.6 HB3 LEU 70 - H THR 34 far 0 99 0 - 10.0-11.6 Violated in 1 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 3.7-4.0 4.0=100 HA ILE 8 - H THR 34 far 0 96 0 - 6.3-7.1 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...(16) QG2 THR 31 - H THR 34 far 0 70 0 - 7.7-8.2 HB2 LEU 6 - H THR 34 far 0 100 0 - 8.2-10.4 HG2 LYS 40 - H THR 34 far 0 95 0 - 9.5-10.4 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 4.4-4.5 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 4.4-4.5 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 = 0.88: * HA THR 34 + H GLU 35 OK 88 100 100 88 2.3-2.7 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 2.1-2.7 1521=86, 3.0/6546=59...(9) HA ILE 8 - H GLU 35 far 0 96 0 - 8.4-9.9 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 3.7-4.0 1526=91, 2.1/6547=84...(10) Violated in 1 structures by 0.00 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 2.8-2.9 3.0=100 HA GLU 63 - H GLU 35 far 0 82 0 - 6.3-9.2 HA ALA 67 - H GLU 35 far 0 71 0 - 7.0-9.5 HA LEU 38 - H GLU 35 far 0 98 0 - 7.1-8.2 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 2.1-3.6 1534=77, 1.8/6551=73...(17) HB2 GLU 37 - H GLU 35 far 0 77 0 - 5.4-6.2 HB2 GLU 62 - H GLU 35 far 0 99 0 - 7.8-12.0 QE MET 74 - H GLU 35 far 0 100 0 - 9.2-10.7 Violated in 1 structures by 0.00 A. Peak 6551 from nnoeabs.peaks (2.08, 9.17, 121.92 ppm; 3.55 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLU 35 + H GLU 35 OK 99 100 100 99 2.7-3.5 1541=73, 1.8/6550=72...(17) HG3 GLU 37 - H GLU 35 far 0 79 0 - 4.5-5.7 HB3 LEU 38 - H GLU 35 far 0 99 0 - 4.8-7.8 HB3 GLU 62 - H GLU 35 far 0 99 0 - 8.2-13.5 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: * HG2 GLU 35 + H GLU 35 OK 99 100 100 99 2.8-4.5 2.9/6551=61, 2.9/6550=61...(18) HG3 GLU 35 + H GLU 35 OK 94 100 95 99 1.9-4.7 2.9/6551=61, 2.9/6550=61...(18) HB2 GLU 63 - H GLU 35 far 0 100 0 - 7.1-9.3 Violated in 8 structures by 0.06 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: HG2 GLU 35 + H GLU 35 OK 99 100 100 99 2.8-4.5 2.9/6551=61, 2.9/6550=61...(18) * HG3 GLU 35 + H GLU 35 OK 94 100 95 99 1.9-4.7 2.9/6551=61, 2.9/6550=61...(18) HB2 GLU 63 - H GLU 35 far 0 100 0 - 7.1-9.3 Violated in 8 structures by 0.06 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 2.4-2.8 6556=100, 8794/6547=57...(16) H LYS 68 - H GLU 35 far 0 100 0 - 9.3-12.6 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 2.4-2.8 6554=83, 6547/8794=51...(16) 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 3.4-3.5 3.6=100 HA LEU 38 - H ASP 36 far 0 98 0 - 6.9-7.3 HA LYS 40 - H ASP 36 far 0 90 0 - 8.0-8.5 HA ALA 67 - H ASP 36 far 0 71 0 - 8.2-10.1 HA GLU 63 - H ASP 36 far 0 82 0 - 8.4-11.2 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 = 0.97: * HB2 GLU 35 + H ASP 36 OK 97 100 100 97 2.9-3.8 1540=65, 6550/6556=44...(12) HB2 GLU 37 - H ASP 36 far 0 77 0 - 4.5-5.4 QE MET 74 - H ASP 36 far 0 100 0 - 8.1-9.2 Violated in 12 structures by 0.12 A. Peak 6559 from nnoeabs.peaks (2.08, 8.19, 118.33 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 35 + H ASP 36 OK 99 100 100 99 4.1-4.3 1.8/6558=77, 1547=54...(12) HG3 GLU 37 + H ASP 36 OK 66 79 100 84 3.6-4.3 1608/6565=35...(8) HB3 LEU 38 - H ASP 36 far 0 99 0 - 5.2-7.3 Violated in 16 structures by 0.05 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 2.1-4.6 2.9/6558=63, 2.9/6559=36...(15) HG3 GLU 35 + H ASP 36 OK 88 100 90 98 2.2-4.8 2.9/6558=63, 2.9/6559=36...(16) HB2 GLU 63 - H ASP 36 far 0 100 0 - 9.5-11.4 HG2 GLU 43 - H ASP 36 far 0 99 0 - 9.9-11.3 Violated in 4 structures by 0.00 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 2.1-4.6 2.9/6558=63, 2.9/6559=36...(15) * HG3 GLU 35 + H ASP 36 OK 88 100 90 98 2.2-4.8 2.9/6558=63, 2.9/6559=36...(16) HB2 GLU 63 - H ASP 36 far 0 100 0 - 9.5-11.4 HG2 GLU 43 - H ASP 36 far 0 99 0 - 9.9-11.3 Violated in 4 structures by 0.00 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 2.8-2.9 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 3 assignments used, quality = 0.99: * HB2 ASP 36 + H ASP 36 OK 90 100 100 90 2.2-2.9 3.6=49, 1.8/1572=29...(14) HB3 ASP 36 + H ASP 36 OK 90 100 100 90 2.3-3.6 3.6=49, 1.8/1567=29...(14) HG3 GLU 63 - H ASP 36 far 0 99 0 - 9.9-12.4 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 3 assignments used, quality = 0.99: * HB3 ASP 36 + H ASP 36 OK 90 100 100 90 2.3-3.6 3.6=49, 1.8/1567=29...(14) HB2 ASP 36 + H ASP 36 OK 90 100 100 90 2.2-2.9 3.6=49, 1.8/1572=29...(14) HG3 GLU 63 - H ASP 36 far 0 99 0 - 9.9-12.4 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 2.4-2.9 6567=88, 8822/8794=31...(13) 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 3 assignments used, quality = 1.00: * H ASP 36 + H GLU 37 OK 100 100 100 100 2.4-2.9 6565=100, 8794/8822=34...(13) H LYS 68 - H LEU 64 far 0 43 0 - 5.6-6.2 H GLU 43 - H GLU 37 far 0 99 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 6568 from nnoeabs.peaks (4.29, 7.74, 120.70 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 36 + H GLU 37 OK 100 100 100 100 3.4-3.6 3.6=100 HA ASP 65 - H LEU 64 far 2 32 5 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 6569 from nnoeabs.peaks (2.50, 7.74, 120.70 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.99: HB3 ASP 36 + H GLU 37 OK 90 100 95 95 2.4-4.2 4.0=52, 3.6/6565=44...(15) * HB2 ASP 36 + H GLU 37 OK 85 100 90 95 2.5-4.3 4.0=52, 3.6/6565=44...(15) HG3 GLU 63 - H LEU 64 far 2 41 5 - 4.0-4.9 HB2 ASP 61 - H LEU 64 far 0 42 0 - 5.3-6.1 Violated in 0 structures by 0.00 A. Peak 6570 from nnoeabs.peaks (2.51, 7.74, 120.70 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.99: * HB3 ASP 36 + H GLU 37 OK 90 100 95 95 2.4-4.2 4.0=52, 3.6/6565=44...(15) HB2 ASP 36 + H GLU 37 OK 85 100 90 95 2.5-4.3 4.0=52, 3.6/6565=44...(15) HG3 GLU 63 - H LEU 64 far 2 41 5 - 4.0-4.9 HB2 ASP 61 - H LEU 64 far 0 42 0 - 5.3-6.1 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 2.8-2.9 3.0=100 HB THR 80 - H LEU 64 far 0 28 0 - 6.7-7.8 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 2.4-2.8 1587=65, 1.8/1594=61...(19) HB2 GLU 62 - H LEU 64 far 0 20 0 - 5.0-5.8 HB2 GLU 35 - H GLU 37 far 0 77 0 - 5.2-5.9 HB VAL 32 - H GLU 37 far 0 63 0 - 6.3-7.0 QE MET 74 - H GLU 37 far 0 87 0 - 7.7-8.6 HB2 GLU 35 - H LEU 64 far 0 27 0 - 9.3-12.6 HB VAL 32 - H LEU 64 far 0 21 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 6573 from nnoeabs.peaks (2.13, 7.74, 120.70 ppm; 2.99 A): 3 out of 7 assignments used, quality = 1.00: * HB3 GLU 37 + H GLU 37 OK 99 100 100 99 3.6-3.6 1.8/6572=57, 1594=52...(19) HG3 GLU 37 + H GLU 37 OK 95 96 100 99 1.9-2.5 1.8/6574=55, 1608=41...(21) HB2 LEU 64 + H LEU 64 OK 38 39 100 97 2.1-2.3 2810=44, 1.8/2818=41...(20) HB3 GLU 62 - H LEU 64 far 0 21 0 - 4.9-6.1 HG2 GLU 69 - H LEU 64 far 0 43 0 - 8.0-8.5 HB2 GLU 69 - H LEU 64 far 0 43 0 - 8.6-9.8 HG2 GLU 44 - H GLU 37 far 0 99 0 - 10.0-13.7 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 2.7-3.5 1601=76, 1.8/1608=57...(16) HG2 GLU 63 - H LEU 64 poor 9 21 40 - 3.7-5.2 HG2 GLU 62 - H LEU 64 far 0 42 0 - 5.1-6.7 HG3 GLU 62 - H LEU 64 far 0 42 0 - 5.2-7.2 Violated in 14 structures by 0.03 A. Peak 6575 from nnoeabs.peaks (2.11, 7.74, 120.70 ppm; 2.99 A): 3 out of 11 assignments used, quality = 1.00: * HG3 GLU 37 + H GLU 37 OK 99 100 100 99 1.9-2.5 1.8/6574=55, 1608=44...(21) HB3 GLU 37 + H GLU 37 OK 94 96 100 98 3.6-3.6 1.8/6572=57, 1594=49...(19) HB2 LEU 64 + H LEU 64 OK 41 42 100 97 2.1-2.3 2810=46, 1.8/2818=41...(20) HB3 LEU 38 - H GLU 37 far 0 63 0 - 4.4-6.4 HB3 GLU 62 - H LEU 64 far 0 34 0 - 4.9-6.1 HB3 GLU 35 - H GLU 37 far 0 79 0 - 5.5-6.0 HB3 GLU 35 - H LEU 64 far 0 28 0 - 7.8-11.0 HG2 GLU 69 - H LEU 64 far 0 37 0 - 8.0-8.5 HB2 GLU 69 - H LEU 64 far 0 37 0 - 8.6-9.8 HB3 LEU 38 - H LEU 64 far 0 21 0 - 9.0-11.2 HG2 GLU 44 - H GLU 37 far 0 85 0 - 10.0-13.7 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 2.5-2.9 6579=96, 6581/6572=39...(24) 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 3.8-4.4 6591/6576=82, 6594=79...(15) Violated in 0 structures by 0.00 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 2.5-2.9 6576=100, 6572/6581=40...(25) 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 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 6581 from nnoeabs.peaks (1.98, 7.53, 119.20 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 37 + H LEU 38 OK 100 100 100 100 2.2-2.6 1593=63, 1.8/1600=57...(15) HB VAL 32 - H LEU 38 far 0 63 0 - 4.6-5.6 HB2 GLU 35 - H LEU 38 far 0 77 0 - 5.2-6.3 QE MET 74 - H LEU 38 far 0 87 0 - 6.7-7.4 HB2 GLU 44 - H LEU 38 far 0 88 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 6582 from nnoeabs.peaks (2.13, 7.53, 119.20 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.99: * HB3 GLU 37 + H LEU 38 OK 98 100 100 98 3.3-3.9 1.8/6581=58, 1600=44...(13) HG3 GLU 37 + H LEU 38 OK 75 96 80 98 3.6-4.4 3.0/6581=43, 1614=36...(18) HG2 GLU 44 - H LEU 38 far 0 99 0 - 9.2-12.1 Violated in 19 structures by 0.12 A. Peak 6583 from nnoeabs.peaks (2.26, 7.53, 119.20 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + H LEU 38 OK 100 100 100 100 4.4-4.7 1.8/1614=83, 1607=83...(12) HG2 GLU 63 - H LEU 38 far 0 63 0 - 9.3-12.0 Violated in 13 structures by 0.03 A. Peak 6584 from nnoeabs.peaks (2.11, 7.53, 119.20 ppm; 3.20 A): 3 out of 5 assignments used, quality = 0.99: HB3 GLU 37 + H LEU 38 OK 93 96 100 98 3.3-3.9 1.8/6581=58, 1600=41...(13) * HG3 GLU 37 + H LEU 38 OK 79 100 80 99 3.6-4.4 3.0/6581=43, 1614=38...(20) HB3 LEU 38 + H LEU 38 OK 62 63 100 97 2.1-3.6 3.8=59, 1.8/1626=53...(22) HB3 GLU 35 - H LEU 38 far 0 79 0 - 5.2-6.1 HG2 GLU 44 - H LEU 38 far 0 85 0 - 9.2-12.1 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 90 98 100 92 3.2-3.8 12057=49, 3.6/8941=26...(17) HA ALA 67 - H LEU 38 far 0 92 0 - 6.2-8.2 HA LYS 40 - H LEU 38 far 0 99 0 - 6.6-7.1 HA GLU 63 - H LEU 38 far 0 57 0 - 8.4-10.5 HA ALA 71 - H LEU 38 far 0 81 0 - 9.0-10.6 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 = 0.99: * HB2 LEU 38 + H LEU 38 OK 98 100 100 98 2.1-3.6 1626=52, 1.8/1634=49...(28) HG LEU 38 + H LEU 38 OK 38 100 40 96 1.9-4.6 3.0/1634=37, 3.0/1626=37...(22) HG3 LYS 39 - H LEU 38 far 0 97 0 - 5.3-7.0 HD3 LYS 40 - H LEU 38 far 0 99 0 - 6.2-8.4 HD2 LYS 40 - H LEU 38 far 0 99 0 - 6.3-8.7 HG3 LYS 66 - H LEU 38 far 0 61 0 - 8.2-11.4 HG2 LYS 66 - H LEU 38 far 0 65 0 - 9.5-12.5 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 2.1-3.6 1634=59, 1.8/6586=51...(23) HG3 GLU 37 + H LEU 38 OK 44 63 75 93 3.6-4.4 3.0/6581=41, 3.0/1600=33...(16) HB3 GLU 35 - H LEU 38 far 0 99 0 - 5.2-6.1 HB3 GLU 43 - H LEU 38 far 0 99 0 - 9.0-10.2 Violated in 4 structures by 0.03 A. Peak 6588 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 3.04 A): 2 out of 7 assignments used, quality = 0.98: HB2 LEU 38 + H LEU 38 OK 98 100 100 98 2.1-3.6 1626=52, 1.8/1634=49...(28) * HG LEU 38 + H LEU 38 OK 38 100 40 96 1.9-4.6 3.0/1634=37, 3.0/1626=37...(22) HG3 LYS 39 - H LEU 38 far 0 94 0 - 5.3-7.0 HD3 LYS 40 - H LEU 38 far 0 100 0 - 6.2-8.4 HD2 LYS 40 - H LEU 38 far 0 100 0 - 6.3-8.7 HG3 LYS 66 - H LEU 38 far 0 70 0 - 8.2-11.4 HG2 LYS 66 - H LEU 38 far 0 73 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 6589 from nnoeabs.peaks (0.82, 7.53, 119.20 ppm; 3.37 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 38 + H LEU 38 OK 99 100 100 99 2.8-3.5 3.1/1634=45, 3.1/1626=44...(26) QG2 VAL 32 + H LEU 38 OK 96 99 100 96 2.7-3.5 2.1/8937=60...(16) QD1 LEU 38 + H LEU 38 OK 38 61 65 96 3.0-4.3 3.1/1634=45, 3.1/1626=44...(19) QD1 LEU 70 - H LEU 38 poor 16 100 25 65 3.8-6.2 6601/6591=18...(11) QD2 LEU 70 - H LEU 38 far 0 96 0 - 4.8-7.3 QG2 ILE 8 - H LEU 38 far 0 65 0 - 5.7-6.5 QG2 ILE 7 - H LEU 38 far 0 87 0 - 8.3-9.0 QD1 ILE 76 - H LEU 38 far 0 90 0 - 8.7-10.0 QD2 LEU 57 - H LEU 38 far 0 82 0 - 9.8-11.6 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 5 assignments used, quality = 0.96: QG2 VAL 32 + H LEU 38 OK 74 79 100 93 2.7-3.5 2.1/8937=60...(17) QD2 LEU 38 + H LEU 38 OK 60 61 100 98 2.8-3.5 3.1/1634=45, 3.1/1626=44...(19) * QD1 LEU 38 + H LEU 38 OK 59 100 60 98 3.0-4.3 3.1/1634=45, 3.1/1626=44...(20) HG13 ILE 8 - H LEU 38 far 0 82 0 - 5.2-7.4 QG2 ILE 76 - H LEU 38 far 0 88 0 - 10.0-11.5 Violated in 0 structures by 0.00 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 2.7-2.9 6596=91, 6599/1634=40...(22) 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 3.9-4.5 6616=100, 6618/6591=67...(16) H GLU 44 - H LEU 38 far 0 75 0 - 9.4-10.1 Violated in 3 structures by 0.02 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 3.8-4.4 6577=100, 6576/6591=90...(15) H MET 74 - H LYS 39 far 0 100 0 - 8.6-10.2 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 4.3-4.6 3.6/6591=92...(10) HA LEU 42 - H LYS 39 far 0 100 0 - 7.0-7.4 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 2.7-2.9 6591=100, 1634/6599=42...(22) Violated in 0 structures by 0.00 A. Peak 6597 from nnoeabs.peaks (3.87, 8.08, 116.94 ppm; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 38 + H LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 35 + H LYS 39 OK 84 98 90 96 3.7-4.9 12057/6591=49...(16) HA LYS 40 - H LYS 39 far 0 99 0 - 5.1-5.3 HA ALA 67 - H LYS 39 far 0 92 0 - 6.0-7.5 HA ALA 71 - H LYS 39 far 0 81 0 - 7.1-8.8 HA GLU 43 - H LYS 39 far 0 99 0 - 8.1-9.1 HA GLU 63 - H LYS 39 far 0 57 0 - 9.5-11.1 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 2.4-4.0 1.8/6599=65, 1633=47...(18) HG3 LYS 39 + H LYS 39 OK 97 97 100 99 2.9-4.2 1713=54, 3.0/6604=54...(22) HG LEU 38 + H LYS 39 OK 38 100 40 94 1.8-5.0 3.0/6599=49, 3.0/1633=37...(17) HD3 LYS 40 - H LYS 39 far 0 99 0 - 5.9-8.1 HD2 LYS 40 - H LYS 39 far 0 99 0 - 6.7-8.2 HG2 LYS 73 - H LYS 39 far 0 63 0 - 8.1-11.8 HG3 LYS 66 - H LYS 39 far 0 61 0 - 8.2-11.1 HG2 LYS 66 - H LYS 39 far 0 65 0 - 9.1-12.1 HG13 ILE 76 - H LYS 39 far 0 93 0 - 9.8-12.1 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 2.3-3.9 1641=68, 1.8/1633=52...(16) HB3 GLU 35 - H LYS 39 far 0 99 0 - 4.5-6.6 HG3 GLU 37 - H LYS 39 far 0 63 0 - 5.7-6.2 HB3 GLU 43 - H LYS 39 far 0 99 0 - 7.1-8.3 HB2 MET 74 - H LYS 39 far 0 99 0 - 8.4-9.5 Violated in 6 structures by 0.04 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 2.4-4.0 1.8/6599=65, 1633=47...(18) HG3 LYS 39 + H LYS 39 OK 93 94 100 99 2.9-4.2 3.0/6604=54, 3.0/6605=52...(22) * HG LEU 38 + H LYS 39 OK 38 100 40 94 1.8-5.0 3.0/6599=49, 3.0/1633=37...(17) HD3 LYS 40 - H LYS 39 far 0 100 0 - 5.9-8.1 HD2 LYS 40 - H LYS 39 far 0 100 0 - 6.7-8.2 HG2 LYS 73 - H LYS 39 far 0 71 0 - 8.1-11.8 HG3 LYS 66 - H LYS 39 far 0 70 0 - 8.2-11.1 HG2 LYS 66 - H LYS 39 far 0 73 0 - 9.1-12.1 HG13 ILE 76 - H LYS 39 far 0 88 0 - 9.8-12.1 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 = 0.99: QD1 LEU 70 + H LYS 39 OK 93 100 100 94 2.9-4.4 ~10822=29, 8952/3.0=27...(25) QD1 LEU 38 + H LYS 39 OK 53 61 90 95 2.0-4.8 3.1/6599=56, 3.1/1633=44...(13) QD2 LEU 70 + H LYS 39 OK 48 96 55 90 3.2-6.2 10822/3.0=47...(18) * QD2 LEU 38 + H LYS 39 OK 34 100 35 96 3.6-4.8 3.1/6599=56, 3.1/1633=44...(13) QG2 VAL 32 - H LYS 39 far 0 99 0 - 4.6-5.6 QD1 ILE 76 - H LYS 39 far 0 90 0 - 6.8-8.2 QG2 ILE 8 - H LYS 39 far 0 65 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 6602 from nnoeabs.peaks (0.86, 8.08, 116.94 ppm; 3.99 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 38 + H LYS 39 OK 99 100 100 99 2.0-4.8 3.1/6599=64, 3.1/1633=52...(16) QD2 LEU 38 + H LYS 39 OK 60 61 100 97 3.6-4.8 3.1/6599=64, 3.1/1633=52...(10) QG2 VAL 32 + H LYS 39 OK 23 79 40 73 4.6-5.6 10162/3.6=40...(7) HG13 ILE 8 - H LYS 39 far 0 82 0 - 7.1-9.3 QG2 ILE 76 - H LYS 39 far 0 88 0 - 8.7-10.1 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 2.8-2.9 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 6 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-2.2 1.8/6605=68, 1680=63...(24) HB2 LEU 42 - H LYS 39 far 0 99 0 - 4.6-5.3 HB2 LYS 66 - H LYS 39 far 0 73 0 - 7.0-9.2 HG2 ARG 46 - H LYS 39 far 0 82 0 - 9.4-13.8 HG3 ARG 46 - H LYS 39 far 0 99 0 - 9.4-12.8 HB ILE 56 - H LYS 39 far 0 68 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 6605 from nnoeabs.peaks (1.86, 8.08, 116.94 ppm; 3.37 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LYS 39 + H LYS 39 OK 99 100 100 99 2.9-3.5 1.8/6604=73, 4.0=58...(16) HG LEU 42 - H LYS 39 far 0 70 0 - 4.9-5.2 HB3 LYS 66 - H LYS 39 far 0 100 0 - 8.0-10.1 HG2 ARG 46 - H LYS 39 far 0 63 0 - 9.4-13.8 HB ILE 8 - H LYS 39 far 0 71 0 - 9.8-11.0 HB VAL 54 - H LYS 39 far 0 88 0 - 9.9-11.1 Violated in 10 structures by 0.04 A. Peak 6606 from nnoeabs.peaks (1.34, 8.08, 116.94 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 3.2-4.6 1702=85, 1.8/1713=82...(22) HB2 LEU 70 + H LYS 39 OK 31 87 40 89 4.6-6.5 9543/8947=34, ~10822=30...(9) HG3 LYS 40 - H LYS 39 far 0 97 0 - 6.1-7.1 QB ALA 67 - H LYS 39 far 0 99 0 - 6.1-7.4 HG12 ILE 8 - H LYS 39 far 0 94 0 - 7.6-9.1 HB3 ARG 30 - H LYS 39 far 0 84 0 - 9.5-10.7 Violated in 2 structures by 0.01 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 100 100 100 100 2.9-4.2 1713=59, 3.0/6604=55...(22) HB2 LEU 38 + H LYS 39 OK 95 97 100 98 2.4-4.0 1.8/6599=67, 1633=47...(18) HG LEU 38 + H LYS 39 OK 35 94 40 94 1.8-5.0 3.0/6599=50, 3.0/1633=38...(17) HD3 LYS 40 - H LYS 39 far 0 87 0 - 5.9-8.1 HD2 LYS 40 - H LYS 39 far 0 88 0 - 6.7-8.2 QB ALA 71 - H LYS 39 far 0 75 0 - 6.7-8.3 HG13 ILE 76 - H LYS 39 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 6608 from nnoeabs.peaks (1.65, 8.08, 116.94 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.90: HB2 LYS 40 + H LYS 39 OK 83 99 90 92 4.3-5.2 6625/6618=69...(7) * HD2 LYS 39 + H LYS 39 OK 45 100 45 100 4.5-5.7 3.6/6604=62, 3.6/6605=61...(22) HD3 LYS 39 - H LYS 39 far 15 98 15 - 4.5-5.9 HB3 LYS 40 - H LYS 39 far 12 79 15 - 4.7-5.5 HD3 LYS 73 - H LYS 39 far 0 99 0 - 6.6-13.4 HB3 LEU 6 - H LYS 39 far 0 100 0 - 7.3-9.7 HD2 LYS 73 - H LYS 39 far 0 98 0 - 8.1-13.0 HB ILE 76 - H LYS 39 far 0 99 0 - 9.5-10.7 Violated in 18 structures by 0.17 A. Peak 6609 from nnoeabs.peaks (1.64, 8.08, 116.94 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.90: HB2 LYS 40 + H LYS 39 OK 83 100 90 92 4.3-5.2 6625/6618=73...(7) HD2 LYS 39 + H LYS 39 OK 44 98 45 100 4.5-5.7 3.6/6604=62, 3.6/6605=61...(22) ! HD3 LYS 39 - H LYS 39 far 15 100 15 - 4.5-5.9 HD3 LYS 73 - H LYS 39 far 0 87 0 - 6.6-13.4 HB3 LEU 6 - H LYS 39 far 0 100 0 - 7.3-9.7 HD2 LYS 73 - H LYS 39 far 0 84 0 - 8.1-13.0 HB2 ARG 30 - H LYS 39 far 0 61 0 - 9.4-10.3 HB ILE 76 - H LYS 39 far 0 100 0 - 9.5-10.7 Violated in 18 structures by 0.17 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 2.5-2.7 6618=100, 6621/6605=51...(17) H GLU 44 - H LYS 39 far 0 75 0 - 8.2-8.8 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 3 assignments used, quality = 1.00: * H TYR 41 + H LYS 39 OK 100 100 100 100 3.9-4.5 6642=100, 6644/6618=95...(12) H LYS 73 - H LYS 39 far 0 94 0 - 9.4-11.0 H LYS 66 - H LYS 39 far 0 91 0 - 10.0-11.9 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 3.2-3.7 1584=88, 1782/6625=56...(16) HA LEU 42 - H LYS 40 far 0 100 0 - 6.5-6.9 Violated in 1 structures by 0.00 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 3.9-4.5 6592=92, 6591/6618=64...(16) Violated in 8 structures by 0.05 A. Peak 6617 from nnoeabs.peaks (3.87, 7.63, 118.27 ppm; 3.18 A): 1 out of 6 assignments used, quality = 0.99: HA LYS 40 + H LYS 40 OK 99 99 100 100 2.8-2.9 2.9=100 ! HA LEU 38 - H LYS 40 far 0 100 0 - 4.1-4.9 HA GLU 35 - H LYS 40 far 0 98 0 - 5.9-6.9 HA GLU 43 - H LYS 40 far 0 99 0 - 7.2-7.8 HA ALA 67 - H LYS 40 far 0 92 0 - 8.2-9.8 HA ALA 71 - H LYS 40 far 0 81 0 - 8.5-9.8 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 2.5-2.7 6612=87, 6605/6621=47...(17) 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 3.4-3.6 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 = 0.99: * HB2 LYS 39 + H LYS 40 OK 99 100 100 99 2.5-3.6 1.8/6621=77, 1690=70...(16) HB2 LEU 42 - H LYS 40 far 0 99 0 - 4.6-5.1 HG2 ARG 46 - H LYS 40 far 0 82 0 - 8.7-12.7 HG3 ARG 46 - H LYS 40 far 0 99 0 - 8.8-11.8 HB2 LYS 66 - H LYS 40 far 0 73 0 - 9.5-11.6 Violated in 5 structures by 0.01 A. Peak 6621 from nnoeabs.peaks (1.86, 7.63, 118.27 ppm; 3.38 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LYS 39 + H LYS 40 OK 98 100 100 98 2.7-3.9 1701=67, 1.8/6620=67...(10) HG LEU 42 - H LYS 40 far 0 70 0 - 5.3-5.8 HG2 ARG 46 - H LYS 40 far 0 63 0 - 8.7-12.7 Violated in 11 structures by 0.06 A. Peak 6622 from nnoeabs.peaks (1.34, 7.63, 118.27 ppm; 3.67 A): 1 out of 6 assignments used, quality = 0.97: HG3 LYS 40 + H LYS 40 OK 97 97 100 100 3.8-4.4 2.9/6625=72, 1817=65...(15) ! HG2 LYS 39 - H LYS 40 far 10 100 10 - 4.0-5.2 HB2 LEU 70 - H LYS 40 far 0 87 0 - 6.7-8.4 QB ALA 67 - H LYS 40 far 0 99 0 - 8.0-9.2 HB3 ARG 30 - H LYS 40 far 0 84 0 - 8.9-10.3 HG12 ILE 8 - H LYS 40 far 0 94 0 - 9.1-10.2 Violated in 20 structures by 0.35 A. Peak 6623 from nnoeabs.peaks (1.44, 7.63, 118.27 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.86: HD3 LYS 40 + H LYS 40 OK 65 87 75 100 3.9-5.8 3.5/6625=73, 3.0/6622=68...(19) HB2 LEU 38 + H LYS 40 OK 30 97 35 88 4.6-6.1 3.8/6616=51...(8) HD2 LYS 40 + H LYS 40 OK 26 88 30 100 4.6-5.8 3.5/6625=73, 3.0/6622=68...(19) * HG3 LYS 39 + H LYS 40 OK 25 100 25 100 2.9-5.3 3.0/6621=73, 3.0/6620=70...(13) HG LEU 38 - H LYS 40 poor 16 94 25 67 4.3-7.1 5.3/6616=34, 2.1/8862=21...(8) QB ALA 71 - H LYS 40 far 0 75 0 - 8.0-9.5 Violated in 2 structures by 0.01 A. Peak 6624 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.83 A): 2 out of 6 assignments used, quality = 0.99: HB2 LYS 40 + H LYS 40 OK 98 99 100 98 2.1-2.7 1783=63, 1.8/1795=52...(19) HB3 LYS 40 + H LYS 40 OK 76 79 100 96 2.4-3.2 1.8/1783=53, 1795=45...(17) ! HD2 LYS 39 - H LYS 40 far 0 100 0 - 4.8-6.7 HD3 LYS 39 - H LYS 40 far 0 98 0 - 5.4-6.7 HB3 LEU 6 - H LYS 40 far 0 100 0 - 7.8-10.1 HD3 LYS 73 - H LYS 40 far 0 99 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 6625 from nnoeabs.peaks (1.64, 7.63, 118.27 ppm; 2.83 A): 1 out of 6 assignments used, quality = 0.98: HB2 LYS 40 + H LYS 40 OK 98 100 100 98 2.1-2.7 1783=64, 1.8/1795=52...(19) HD2 LYS 39 - H LYS 40 far 0 98 0 - 4.8-6.7 ! HD3 LYS 39 - H LYS 40 far 0 100 0 - 5.4-6.7 HB3 LEU 6 - H LYS 40 far 0 100 0 - 7.8-10.1 HD3 LYS 73 - H LYS 40 far 0 87 0 - 8.3-15.1 HB2 ARG 30 - H LYS 40 far 0 61 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 6628 from nnoeabs.peaks (3.86, 7.63, 118.27 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 40 + H LYS 40 OK 100 100 100 100 2.8-2.9 2.9=100 HA LEU 38 - H LYS 40 far 0 99 0 - 4.1-4.9 HA GLU 35 - H LYS 40 far 0 90 0 - 5.9-6.9 HA GLU 43 - H LYS 40 far 0 94 0 - 7.2-7.8 HA ALA 67 - H LYS 40 far 0 99 0 - 8.2-9.8 HA ALA 71 - H LYS 40 far 0 93 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 6629 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.83 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LYS 40 + H LYS 40 OK 98 100 100 98 2.1-2.7 1783=64, 1.8/1795=52...(19) HB3 LYS 40 + H LYS 40 OK 60 63 100 95 2.4-3.2 1.8/1783=53, 4.1=34...(16) HD2 LYS 39 - H LYS 40 far 0 99 0 - 4.8-6.7 HD3 LYS 39 - H LYS 40 far 0 100 0 - 5.4-6.7 HB3 LEU 6 - H LYS 40 far 0 100 0 - 7.8-10.1 HD3 LYS 73 - H LYS 40 far 0 93 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 6630 from nnoeabs.peaks (1.68, 7.63, 118.27 ppm; 2.80 A): 2 out of 7 assignments used, quality = 0.99: * HB3 LYS 40 + H LYS 40 OK 97 100 100 97 2.4-3.2 1795=60, 1.8/1783=51...(18) HB2 LYS 40 + H LYS 40 OK 60 63 100 95 2.1-2.7 1.8/1795=51, 1783=33...(18) HD2 LYS 39 - H LYS 40 far 0 79 0 - 4.8-6.7 HB3 LEU 70 - H LYS 40 far 0 73 0 - 6.3-8.8 HG LEU 70 - H LYS 40 far 0 96 0 - 6.9-9.5 HB3 LEU 6 - H LYS 40 far 0 68 0 - 7.8-10.1 HD3 LYS 73 - H LYS 40 far 0 94 0 - 8.3-15.1 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 4.4-4.6 1.8/6622=90, 2.9/6625=87...(21) QG2 THR 34 - H LYS 40 far 0 95 0 - 7.9-8.4 HB2 LEU 6 - H LYS 40 far 0 90 0 - 8.3-9.5 Violated in 20 structures by 0.18 A. Peak 6632 from nnoeabs.peaks (1.36, 7.63, 118.27 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 40 + H LYS 40 OK 100 100 100 100 3.8-4.4 2.9/6625=72, 1817=68...(15) HG2 LYS 39 - H LYS 40 far 10 97 10 - 4.0-5.2 HB2 LEU 70 - H LYS 40 far 0 99 0 - 6.7-8.4 QB ALA 67 - H LYS 40 far 0 90 0 - 8.0-9.2 HB3 ARG 30 - H LYS 40 far 0 98 0 - 8.9-10.3 HG12 ILE 8 - H LYS 40 far 0 100 0 - 9.1-10.2 Violated in 20 structures by 0.35 A. Peak 6633 from nnoeabs.peaks (1.46, 7.63, 118.27 ppm; 3.90 A): 2 out of 6 assignments used, quality = 0.77: HD3 LYS 40 + H LYS 40 OK 70 100 70 100 3.9-5.8 3.5/6625=68, 3.0/6622=63...(19) HB2 LEU 38 + H LYS 40 OK 25 99 30 85 4.6-6.1 1633/6618=46...(9) ! HD2 LYS 40 - H LYS 40 poor 20 100 20 100 4.6-5.8 3.5/6625=68, 3.0/6622=63...(19) HG LEU 38 - H LYS 40 poor 16 100 25 63 4.3-7.1 5.3/6616=31, 2.1/8862=19...(8) HG3 LYS 39 - H LYS 40 far 9 88 10 - 2.9-5.3 HG2 LYS 73 - H LYS 40 far 0 81 0 - 9.6-13.5 Violated in 19 structures by 0.50 A. Peak 6634 from nnoeabs.peaks (1.47, 7.63, 118.27 ppm; 3.90 A): 2 out of 6 assignments used, quality = 0.77: * HD3 LYS 40 + H LYS 40 OK 70 100 70 100 3.9-5.8 3.5/6625=68, 3.0/6622=63...(19) HB2 LEU 38 + H LYS 40 OK 25 99 30 85 4.6-6.1 3.8/6616=46...(9) HD2 LYS 40 - H LYS 40 poor 20 100 20 - 4.6-5.8 HG LEU 38 - H LYS 40 poor 16 100 25 62 4.3-7.1 5.3/6616=31, 2.1/8862=19...(8) HG3 LYS 39 - H LYS 40 far 9 87 10 - 2.9-5.3 HG2 LYS 73 - H LYS 40 far 0 82 0 - 9.6-13.5 Violated in 19 structures by 0.50 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 2.6-2.9 6644=100, 1793/6625=44...(21) HE ARG 30 - H LYS 40 far 0 70 0 - 9.4-12.8 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 3.7-4.2 6659/6644=79...(12) H LEU 70 - H LYS 40 far 0 100 0 - 9.7-11.0 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 3.8-4.5 6615/6644=69...(18) HA LEU 42 + H TYR 41 OK 83 100 85 98 5.0-5.3 3.0/6659=80, 3.6/6683=50...(7) 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...(17) * HA LEU 38 + H TYR 41 OK 97 100 100 97 3.5-4.1 1623=43, 1890/6656=37...(17) HA GLU 43 - H TYR 41 far 0 99 0 - 6.8-7.1 HA GLU 35 - H TYR 41 far 0 98 0 - 7.5-8.6 HA ALA 71 - H TYR 41 far 0 81 0 - 8.4-9.8 HA ALA 67 - H TYR 41 far 0 92 0 - 8.6-10.5 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 3.9-4.5 6618/6644=86, 6613=71...(12) 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 4.0-4.8 3.6/6644=91...(13) 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 2.6-2.9 6637=94, 6625/1793=42...(21) H GLU 44 - H TYR 41 far 0 75 0 - 4.8-5.4 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...(17) HA LEU 38 + H TYR 41 OK 96 99 100 97 3.5-4.1 1623=43, 1890/6656=37...(16) HA GLU 43 - H TYR 41 far 0 94 0 - 6.8-7.1 HA GLU 35 - H TYR 41 far 0 90 0 - 7.5-8.6 HA ALA 71 - H TYR 41 far 0 93 0 - 8.4-9.8 HA ALA 67 - H TYR 41 far 0 99 0 - 8.6-10.5 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 8 assignments used, quality = 1.00: * HB2 LYS 40 + H TYR 41 OK 99 100 100 99 2.4-4.0 1793=58, 1.8/1805=55...(18) HB3 LYS 40 + H TYR 41 OK 62 63 100 98 2.3-4.1 1.8/1793=52, 4.3=42...(16) HB3 LEU 6 - H TYR 41 far 0 100 0 - 6.4-8.4 HD2 LYS 39 - H TYR 41 far 0 99 0 - 7.1-8.9 HD3 LYS 39 - H TYR 41 far 0 100 0 - 7.4-8.8 HB ILE 76 - H TYR 41 far 0 100 0 - 9.5-10.1 HD3 LYS 47 - H TYR 41 far 0 68 0 - 9.6-13.3 HD2 LYS 47 - H TYR 41 far 0 70 0 - 9.7-13.7 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 100 100 100 100 2.3-4.1 1805=66, 1.8/1793=54...(19) HB2 LYS 40 + H TYR 41 OK 63 63 100 99 2.4-4.0 1.8/1805=57, 4.3=44...(18) HB3 LEU 6 - H TYR 41 far 0 68 0 - 6.4-8.4 HD2 LYS 39 - H TYR 41 far 0 79 0 - 7.1-8.9 HB3 LEU 70 - H TYR 41 far 0 73 0 - 7.7-10.0 HG LEU 70 - H TYR 41 far 0 96 0 - 8.6-11.3 HB ILE 76 - H TYR 41 far 0 59 0 - 9.5-10.1 HD3 LYS 47 - H TYR 41 far 0 100 0 - 9.6-13.3 HD2 LYS 47 - H TYR 41 far 0 100 0 - 9.7-13.7 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...(20) HB2 LEU 6 - H TYR 41 far 0 90 0 - 6.8-7.9 QG2 THR 34 - H TYR 41 far 0 95 0 - 8.8-9.6 QG2 THR 31 - H TYR 41 far 0 95 0 - 9.6-10.3 Violated in 1 structures by 0.00 A. Peak 6649 from nnoeabs.peaks (1.36, 7.82, 117.81 ppm; 4.64 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 40 + H TYR 41 OK 100 100 100 100 2.4-5.0 2.9/1805=79, 1.8/6648=79...(18) HG2 LYS 39 - H TYR 41 far 5 97 5 - 5.4-6.9 HB3 ARG 30 - H TYR 41 far 0 98 0 - 6.6-8.1 HB2 LEU 70 - H TYR 41 far 0 99 0 - 7.7-9.3 QB ALA 67 - H TYR 41 far 0 90 0 - 8.1-9.4 HG12 ILE 8 - H TYR 41 far 0 100 0 - 9.1-9.7 Violated in 5 structures by 0.06 A. Peak 6650 from nnoeabs.peaks (1.46, 7.82, 117.81 ppm; 4.51 A): 2 out of 6 assignments used, quality = 0.97: HD3 LYS 40 + H TYR 41 OK 90 100 90 100 4.2-6.0 3.5/1805=68, 3.5/1793=67...(16) * HD2 LYS 40 + H TYR 41 OK 70 100 70 100 4.5-6.3 3.5/1805=68, 3.5/1793=67...(16) HB2 LEU 38 - H TYR 41 far 5 99 5 - 5.3-6.2 HG3 LYS 39 - H TYR 41 far 4 88 5 - 5.0-7.2 HG LEU 38 - H TYR 41 far 0 100 0 - 5.4-7.4 HG2 LYS 47 - H TYR 41 far 0 82 0 - 9.6-12.9 Violated in 7 structures by 0.13 A. Peak 6651 from nnoeabs.peaks (1.47, 7.82, 117.81 ppm; 4.51 A): 2 out of 7 assignments used, quality = 0.97: * HD3 LYS 40 + H TYR 41 OK 90 100 90 100 4.2-6.0 3.5/1805=68, 3.5/1793=67...(16) HD2 LYS 40 + H TYR 41 OK 70 100 70 100 4.5-6.3 3.5/1805=68, 3.5/1793=67...(16) HB2 LEU 38 - H TYR 41 far 5 99 5 - 5.3-6.2 HG3 LYS 39 - H TYR 41 far 4 87 5 - 5.0-7.2 HG LEU 38 - H TYR 41 far 0 100 0 - 5.4-7.4 HG2 LYS 47 - H TYR 41 far 0 84 0 - 9.6-12.9 HG3 LYS 33 - H TYR 41 far 0 59 0 - 9.9-11.3 Violated in 7 structures by 0.13 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 2.8-2.9 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 = 1.00: * HB2 TYR 41 + H TYR 41 OK 100 100 100 100 2.3-3.6 1883=82, 1.8/6656=80...(13) HG3 GLU 43 - H TYR 41 far 0 99 0 - 4.6-7.4 HG3 GLU 44 - H TYR 41 far 0 59 0 - 5.7-9.0 HB2 TYR 4 - H TYR 41 far 0 88 0 - 8.8-10.0 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 = 0.99: * HB3 TYR 41 + H TYR 41 OK 99 100 100 99 2.3-3.6 1891=66, 1.8/6655=63...(14) HD2 ARG 30 - H TYR 41 far 0 68 0 - 6.9-9.3 HG3 MET 74 - H TYR 41 far 0 96 0 - 7.3-10.7 Violated in 15 structures by 0.20 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 2.3-3.4 2.5/6656=72, 2.5/6655=66...(30) QE TYR 41 + H TYR 41 OK 38 87 45 96 4.0-5.0 4.4/6656=42, 4.4/6655=39...(22) 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 1 assignment used, quality = 1.00: * H LEU 42 + H TYR 41 OK 100 100 100 100 2.4-2.7 6666=96, 6669/6656=43...(17) 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 4.0-4.3 6683=100, 6685/6659=82...(10) H ASP 36 - H TYR 41 far 0 99 0 - 7.8-8.5 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): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + H LEU 42 OK 97 100 100 97 3.9-4.7 1623/6659=46...(12) HA LYS 40 + H LEU 42 OK 95 99 100 96 4.0-4.6 3.6/6659=63, 2.9/6638=52...(9) HA GLU 43 - H LEU 42 far 0 99 0 - 5.1-5.4 HA ALA 71 - H LEU 42 far 0 81 0 - 6.2-7.5 HA ALA 67 - H LEU 42 far 0 92 0 - 7.6-9.7 HA GLU 35 - H LEU 42 far 0 98 0 - 8.0-9.2 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...(13) 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 2 assignments used, quality = 1.00: * H LYS 40 + H LEU 42 OK 100 100 100 100 3.7-4.2 6638=95, 6644/6659=77...(12) H GLU 44 + H LEU 42 OK 74 75 100 99 4.1-4.6 4.6/6685=56, 6702=54...(14) Violated in 0 structures by 0.00 A. Peak 6665 from nnoeabs.peaks (3.86, 7.96, 115.96 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 38 + H LEU 42 OK 96 99 100 97 3.9-4.7 3.8/8912=45...(12) * HA LYS 40 + H LEU 42 OK 96 100 100 96 4.0-4.6 3.6/6659=63, 2.9/6638=52...(9) HA GLU 43 - H LEU 42 far 0 94 0 - 5.1-5.4 HA ALA 71 - H LEU 42 far 0 93 0 - 6.2-7.5 HA ALA 67 - H LEU 42 far 0 99 0 - 7.6-9.7 HA GLU 35 - H LEU 42 far 0 90 0 - 8.0-9.2 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 2.4-2.7 6659=100, 6656/6669=44...(17) HE ARG 30 - H LEU 42 far 0 70 0 - 8.6-12.1 H LYS 73 - H LEU 42 far 0 94 0 - 10.0-11.3 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 3.4-3.5 3.6=100 HA GLU 44 - H LEU 42 far 0 99 0 - 6.9-7.3 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 100 100 100 100 2.6-3.9 4.1=83, 1.8/6669=80...(10) HG3 GLU 43 + H LEU 42 OK 42 99 45 94 4.4-6.1 6696/6685=57...(9) HG3 GLU 44 - H LEU 42 far 0 59 0 - 5.3-8.3 HB2 TYR 4 - H LEU 42 far 0 88 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 6669 from nnoeabs.peaks (2.64, 7.96, 115.96 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.98: * HB3 TYR 41 + H LEU 42 OK 98 100 100 98 2.7-3.9 4.1=72, 6656/6659=57...(13) HG3 MET 74 - H LEU 42 far 0 96 0 - 5.2-8.8 HD2 ARG 30 - H LEU 42 far 0 68 0 - 8.7-10.3 Violated in 9 structures by 0.04 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 3.7-4.7 4.6=100 QE TYR 41 - H LEU 42 far 0 87 0 - 5.8-6.6 Violated in 1 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 2.8-2.8 3.0=100 HA GLU 37 - H LEU 42 far 0 100 0 - 6.1-6.6 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 2.3-2.5 1.8/6674=60, 4.0=58...(20) HB2 LYS 39 - H LEU 42 far 0 99 0 - 5.3-5.9 HG3 ARG 46 - H LEU 42 far 0 92 0 - 6.1-9.5 HG2 ARG 46 - H LEU 42 far 0 94 0 - 6.2-10.1 HB VAL 78 - H LEU 42 far 0 82 0 - 7.4-9.7 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...(20) QB ALA 67 - H LEU 42 far 0 70 0 - 7.4-8.9 HG2 ARG 30 - H LEU 42 far 0 99 0 - 7.7-10.8 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 = 1.00: * HG LEU 42 + H LEU 42 OK 100 100 100 100 2.3-2.7 1927=51, 2.1/6676=50...(19) HB3 LYS 39 - H LEU 42 far 0 70 0 - 5.1-5.6 HB2 GLU 43 - H LEU 42 far 0 99 0 - 6.0-6.4 HB VAL 54 - H LEU 42 far 0 99 0 - 7.0-8.3 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 10 assignments used, quality = 1.00: * QD1 LEU 42 + H LEU 42 OK 100 100 100 100 3.3-3.6 2.1/6675=79, 3.1/6673=58...(19) QD2 LEU 6 - H LEU 42 far 0 100 0 - 4.7-5.9 QG2 VAL 54 - H LEU 42 far 0 70 0 - 5.3-6.5 QD1 ILE 56 - H LEU 42 far 0 93 0 - 5.4-7.6 QG2 VAL 78 - H LEU 42 far 0 71 0 - 6.1-7.7 HG13 ILE 56 - H LEU 42 far 0 84 0 - 7.1-8.9 QD1 ILE 52 - H LEU 42 far 0 100 0 - 7.3-8.3 QD1 ILE 8 - H LEU 42 far 0 91 0 - 7.5-8.6 QG1 VAL 5 - H LEU 42 far 0 61 0 - 9.4-10.9 QG1 VAL 58 - H LEU 42 far 0 73 0 - 9.9-10.8 Violated in 2 structures by 0.00 A. Peak 6677 from nnoeabs.peaks (0.77, 7.96, 115.96 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 42 + H LEU 42 OK 100 100 100 100 3.6-3.9 2.1/6675=74, 2.1/6676=63...(16) QD1 LEU 6 + H LEU 42 OK 77 100 95 81 3.1-4.4 8227/6669=32...(8) QD1 ILE 76 - H LEU 42 far 0 70 0 - 4.5-5.2 QG1 VAL 54 - H LEU 42 far 0 100 0 - 5.0-6.5 QG1 VAL 78 - H LEU 42 far 0 91 0 - 5.5-7.3 QG2 ILE 52 - H LEU 42 far 0 98 0 - 7.5-9.8 QG2 ILE 8 - H LEU 42 far 0 92 0 - 9.8-11.0 Violated in 12 structures by 0.05 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 2.5-2.8 6685=100, 6684/3.6=37...(15) H ASP 36 - H LEU 42 far 0 99 0 - 9.2-9.6 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 2 assignments used, quality = 1.00: * H GLU 44 + H LEU 42 OK 100 100 100 100 4.1-4.6 6702=74, 6697/6685=73...(14) H LYS 40 + H LEU 42 OK 74 75 100 99 3.7-4.2 3.6/6663=60, 6638=59...(12) 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 3.8-4.9 10557=76, 9609/12303=68...(9) Violated in 3 structures by 0.02 A. Peak 6682 from nnoeabs.peaks (3.86, 8.19, 117.17 ppm; 3.22 A): 2 out of 7 assignments used, quality = 0.99: HA GLU 43 + H GLU 43 OK 94 94 100 100 2.8-2.9 2.9=100 * HA LYS 40 + H GLU 43 OK 77 100 100 77 3.5-4.0 1779=31, 3.6/6683=26...(10) HA LEU 38 - H GLU 43 far 0 99 0 - 6.4-7.2 HA ALA 71 - H GLU 43 far 0 93 0 - 6.7-8.5 HB3 SER 49 - H GLU 43 far 0 99 0 - 9.6-11.3 HA ALA 67 - H GLU 43 far 0 99 0 - 9.7-11.7 HA GLU 35 - H GLU 43 far 0 90 0 - 9.7-11.1 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 2 assignments used, quality = 1.00: * H TYR 41 + H GLU 43 OK 100 100 100 100 4.0-4.3 6660=98, 6659/6685=81...(10) HE ARG 30 - H GLU 43 far 0 70 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 6684 from nnoeabs.peaks (3.93, 8.19, 117.17 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.97: * HA TYR 41 + H GLU 43 OK 97 100 100 97 3.8-4.2 3.6/6685=61...(7) HA GLU 44 - H GLU 43 far 0 99 0 - 5.1-5.4 Violated in 17 structures by 0.12 A. Peak 6685 from nnoeabs.peaks (7.96, 8.19, 117.17 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H GLU 43 OK 100 100 100 100 2.5-2.8 6678=99, 3.6/6684=37...(15) 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 3.5-3.5 3.6=100 HA GLU 37 - H GLU 43 far 0 100 0 - 7.3-8.1 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 2.7-3.0 1.8/6688=66...(17) HG2 ARG 46 + H GLU 43 OK 30 94 35 90 4.2-8.0 10172/2.9=32, ~10171=22...(17) HG3 ARG 46 - H GLU 43 poor 18 92 20 - 4.1-7.4 HB2 LYS 39 - H GLU 43 far 0 99 0 - 5.8-7.0 HB VAL 78 - H GLU 43 far 0 82 0 - 8.9-10.9 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 3.4-3.8 4.6=67, 1.8/6687=64...(19) HG2 ARG 30 - H GLU 43 far 0 99 0 - 9.2-12.3 QB ALA 67 - H GLU 43 far 0 70 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 6689 from nnoeabs.peaks (1.90, 8.19, 117.17 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.98: HB2 GLU 43 + H GLU 43 OK 98 99 100 99 3.5-3.6 1.8/6694=73, 1962=72...(15) ! HG LEU 42 - H GLU 43 far 0 100 0 - 4.4-4.7 HB3 LYS 39 - H GLU 43 far 0 70 0 - 4.7-6.4 HB3 LYS 47 - H GLU 43 far 0 81 0 - 8.3-9.3 HB VAL 54 - H GLU 43 far 0 99 0 - 8.5-9.9 Violated in 20 structures by 0.32 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 4.4-4.6 6676/6685=72...(16) QG2 VAL 54 - H GLU 43 far 0 70 0 - 6.3-7.5 QD2 LEU 6 - H GLU 43 far 0 100 0 - 6.8-7.8 QG2 VAL 78 - H GLU 43 far 0 71 0 - 6.8-9.4 QD1 ILE 52 - H GLU 43 far 0 100 0 - 7.2-7.8 QD1 ILE 56 - H GLU 43 far 0 93 0 - 7.5-9.2 HG13 ILE 56 - H GLU 43 far 0 84 0 - 9.5-11.2 QD1 ILE 8 - H GLU 43 far 0 91 0 - 9.8-10.7 Violated in 17 structures by 0.05 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 4.7-5.0 1944/3.6=72, 2.1/6690=69...(14) QD1 ILE 76 + H GLU 43 OK 64 70 100 92 3.8-4.6 9604/12303=33...(13) QD1 LEU 6 - H GLU 43 far 5 100 5 - 5.2-6.6 QG1 VAL 78 - H GLU 43 far 0 91 0 - 6.6-8.9 QG1 VAL 54 - H GLU 43 far 0 100 0 - 6.6-8.0 QG2 ILE 52 - H GLU 43 far 0 98 0 - 7.6-9.2 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 2.8-2.9 2.9=100 HA LYS 40 + H GLU 43 OK 75 94 100 80 3.5-4.0 1779=33, 3.6/6683=29...(10) HA LEU 38 - H GLU 43 far 0 99 0 - 6.4-7.2 HA ALA 71 - H GLU 43 far 0 63 0 - 6.7-8.5 HB3 SER 49 - H GLU 43 far 0 84 0 - 9.6-11.3 HA ALA 67 - H GLU 43 far 0 79 0 - 9.7-11.7 HA GLU 35 - H GLU 43 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 6693 from nnoeabs.peaks (1.91, 8.19, 117.17 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLU 43 + H GLU 43 OK 99 100 100 99 3.5-3.6 1.8/6694=73, 1962=73...(15) HG LEU 42 - H GLU 43 far 0 99 0 - 4.4-4.7 HB3 LYS 47 - H GLU 43 far 0 94 0 - 8.3-9.3 HB VAL 54 - H GLU 43 far 0 91 0 - 8.5-9.9 Violated in 20 structures by 0.32 A. Peak 6694 from nnoeabs.peaks (2.06, 8.19, 117.17 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.99: * HB3 GLU 43 + H GLU 43 OK 99 100 100 99 2.2-2.7 1.8/6689=66, 1970=57...(15) HB2 MET 74 - H GLU 43 far 0 100 0 - 5.9-6.9 HB3 LEU 38 - H GLU 43 far 0 99 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 6695 from nnoeabs.peaks (2.19, 8.19, 117.17 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 43 + H GLU 43 OK 100 100 100 100 2.5-2.9 1.8/6696=81, 3.0/6694=69...(15) HG3 GLU 35 - H GLU 43 far 0 99 0 - 9.0-12.8 HG2 GLU 35 - H GLU 43 far 0 99 0 - 9.5-12.3 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 5 assignments used, quality = 1.00: * HG3 GLU 43 + H GLU 43 OK 100 100 100 100 2.2-3.6 1984=84, 1.8/6695=66...(22) HG3 GLU 44 - H GLU 43 far 0 75 0 - 4.7-7.1 HB2 TYR 41 - H GLU 43 far 0 99 0 - 4.9-5.5 HB2 TYR 4 - H GLU 43 far 0 75 0 - 9.0-10.3 HG2 GLU 48 - H GLU 43 far 0 99 0 - 9.9-12.3 Violated in 1 structures by 0.00 A. Peak 6697 from nnoeabs.peaks (7.60, 8.19, 117.17 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + H GLU 43 OK 100 100 100 100 2.5-2.8 6704=98, 6705/2.9=52...(16) H LYS 40 - H GLU 43 far 0 75 0 - 4.7-5.2 H GLU 48 - H GLU 43 far 0 97 0 - 8.7-9.5 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 = 0.96: * H PHE 45 + H GLU 43 OK 96 100 100 96 3.8-4.2 6722/6697=67...(8) H ALA 71 - H GLU 43 far 0 100 0 - 8.8-10.1 Violated in 3 structures by 0.02 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): 1 out of 5 assignments used, quality = 0.94: HA GLU 43 + H GLU 44 OK 94 94 100 100 3.5-3.6 3.6=100 ! HA LYS 40 - H GLU 44 far 0 100 0 - 4.6-5.4 HA LEU 38 - H GLU 44 far 0 99 0 - 7.8-8.8 HA ALA 71 - H GLU 44 far 0 93 0 - 9.1-10.1 HB3 SER 49 - H GLU 44 far 0 99 0 - 9.2-10.8 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 2.8-2.8 3.0=100 * HA TYR 41 + H GLU 44 OK 94 100 100 94 3.2-3.6 1879=43, 6684/6697=35...(14) 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 4.1-4.6 6685/6697=83...(14) 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 4.2-4.7 3.6/6697=84...(13) HA GLU 37 - H GLU 44 far 0 100 0 - 8.3-9.1 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 2.5-2.8 6697=100, 2.9/6705=52...(16) Violated in 0 structures by 0.00 A. Peak 6705 from nnoeabs.peaks (3.88, 7.60, 120.47 ppm; 3.42 A): 1 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, 2.9/6697=55...(12) HA LYS 40 - H GLU 44 far 0 94 0 - 4.6-5.4 HA LEU 38 - H GLU 44 far 0 99 0 - 7.8-8.8 HA ALA 71 - H GLU 44 far 0 63 0 - 9.1-10.1 HB3 SER 49 - H GLU 44 far 0 84 0 - 9.2-10.8 Violated in 20 structures by 0.13 A. Peak 6706 from nnoeabs.peaks (1.91, 7.60, 120.47 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 43 + H GLU 44 OK 100 100 100 100 3.2-3.8 1.8/6707=78, 1968=70...(9) HG LEU 42 - H GLU 44 far 0 99 0 - 6.1-6.6 HB3 LYS 47 - H GLU 44 far 0 94 0 - 6.2-7.2 HB VAL 54 - H GLU 44 far 0 91 0 - 9.2-10.1 Violated in 13 structures by 0.03 A. Peak 6707 from nnoeabs.peaks (2.06, 7.60, 120.47 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLU 43 + H GLU 44 OK 99 100 100 99 2.4-2.9 1.8/6706=65, 1976=65...(9) HB2 MET 74 - H GLU 44 far 0 100 0 - 7.6-9.1 HB3 GLU 48 - H GLU 44 far 0 95 0 - 8.4-9.8 HB3 LEU 38 - H GLU 44 far 0 99 0 - 9.1-10.8 Violated in 0 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 4.2-4.8 3.0/6706=87, 3.7/6705=80...(10) 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 5 assignments used, quality = 1.00: * HG3 GLU 43 + H GLU 44 OK 100 100 100 100 4.1-5.0 3.0/6707=74, 3.0/6706=70...(13) HG3 GLU 44 + H GLU 44 OK 75 75 100 100 2.4-4.5 1.8/6713=84, 4.8=65...(20) HB2 TYR 41 - H GLU 44 far 5 99 5 - 5.0-5.8 HG2 GLU 48 - H GLU 44 far 0 99 0 - 7.9-10.2 HB2 TYR 4 - H GLU 44 far 0 75 0 - 8.5-9.6 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 2.8-2.8 3.0=100 HA TYR 41 + H GLU 44 OK 93 99 100 94 3.2-3.6 1879=43, 6684/6697=34...(14) 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 6 assignments used, quality = 1.00: * HB2 GLU 44 + H GLU 44 OK 95 100 100 95 2.1-2.8 3.9=36, 3.0/6713=30...(21) HB3 GLU 44 + H GLU 44 OK 94 100 100 94 2.8-3.6 3.9=36, 3.0/6713=30...(19) QE MET 74 - H GLU 44 far 0 100 0 - 4.7-5.3 HB2 ARG 46 - H GLU 44 far 0 84 0 - 4.9-7.0 HB2 LYS 47 - H GLU 44 far 0 73 0 - 7.5-8.5 HB3 MET 74 - H GLU 44 far 0 61 0 - 7.7-9.2 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 6 assignments used, quality = 1.00: HB2 GLU 44 + H GLU 44 OK 95 100 100 95 2.1-2.8 3.9=36, 3.0/6713=30...(21) * HB3 GLU 44 + H GLU 44 OK 94 100 100 94 2.8-3.6 3.9=36, 3.0/6713=30...(19) QE MET 74 - H GLU 44 far 0 100 0 - 4.7-5.3 HB2 ARG 46 - H GLU 44 far 0 84 0 - 4.9-7.0 HB2 LYS 47 - H GLU 44 far 0 73 0 - 7.5-8.5 HB3 MET 74 - H GLU 44 far 0 61 0 - 7.7-9.2 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 1.9-4.2 2017=61, 1995/3.0=61...(19) HB3 GLU 37 - H GLU 44 far 0 99 0 - 9.4-10.4 Violated in 8 structures by 0.05 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 2.4-4.5 1.8/6713=74, 1996/3.0=59...(20) HG3 GLU 43 + H GLU 44 OK 48 75 65 99 4.1-5.0 3.0/6707=65, 3.0/6706=61...(12) HB2 TYR 41 - H GLU 44 far 0 59 0 - 5.0-5.8 HG2 GLU 48 - H GLU 44 far 0 92 0 - 7.9-10.2 Violated in 9 structures by 0.06 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 2.5-2.8 6722=100, 6698/6697=36...(14) 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 3.9-4.2 6741/6722=86...(11) 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 3.4-3.5 3.6=100 * HA TYR 41 + H PHE 45 OK 77 100 80 97 4.3-4.9 10584=53, 1879/6722=48...(10) HA GLU 63 - H ALA 71 far 0 66 0 - 9.4-10.1 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 3 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...(12) HB THR 80 - H ALA 71 far 0 54 0 - 6.4-8.5 HA LEU 42 - H ALA 71 far 0 71 0 - 7.2-8.6 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 3 assignments used, quality = 1.00: * H GLU 43 + H PHE 45 OK 100 100 100 100 3.8-4.2 6698=100, 6697/6722=90...(8) H LYS 68 + H ALA 71 OK 69 70 100 98 4.5-5.2 7116/7155=70...(11) H GLU 43 - H ALA 71 far 0 71 0 - 8.8-10.1 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 11 assignments used, quality = 1.00: * HA GLU 43 + H PHE 45 OK 99 100 100 99 3.7-4.6 6705/6722=69...(8) HA ALA 67 + H ALA 71 OK 44 49 100 91 3.5-4.3 2978/7155=38...(12) HA ALA 71 + H ALA 71 OK 38 38 100 100 2.7-2.9 3.0=100 HA LEU 38 - H ALA 71 far 0 69 0 - 6.9-9.0 HA LYS 40 - H PHE 45 far 0 94 0 - 7.0-7.6 HB3 SER 49 - H PHE 45 far 0 84 0 - 7.2-8.7 HA GLU 35 - H ALA 71 far 0 71 0 - 7.5-9.6 HA ALA 71 - H PHE 45 far 0 63 0 - 8.3-9.3 HA LEU 38 - H PHE 45 far 0 99 0 - 8.5-9.3 HA GLU 63 - H ALA 71 far 0 46 0 - 9.4-10.1 HA GLU 43 - H ALA 71 far 0 71 0 - 9.7-11.2 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 4 assignments used, quality = 1.00: * H GLU 44 + H PHE 45 OK 100 100 100 100 2.5-2.8 6715=100, 6697/6698=36...(14) H GLU 48 - H PHE 45 far 0 97 0 - 5.2-6.0 H LYS 40 - H PHE 45 far 0 75 0 - 8.2-8.6 H LYS 40 - H ALA 71 far 0 46 0 - 8.8-10.1 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 3.4-3.5 3.6=100 HA TYR 41 + H PHE 45 OK 76 99 80 97 4.3-4.9 10584=52, 1879/6722=48...(10) HA GLU 63 - H ALA 71 far 0 56 0 - 9.4-10.1 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 9 assignments used, quality = 0.94: * HB2 GLU 44 + H PHE 45 OK 92 100 100 92 2.5-4.0 2016=36, 3.9/6722=36...(12) HB3 GLU 44 + H PHE 45 OK 22 100 25 89 3.6-4.4 3.9/6722=36, 2016=36...(9) HB2 ARG 46 - H PHE 45 far 4 84 5 - 3.9-6.2 QE MET 74 - H PHE 45 far 0 100 0 - 5.0-6.0 QE MET 74 - H ALA 71 far 0 71 0 - 5.0-6.4 HB3 MET 74 - H ALA 71 far 0 36 0 - 5.0-7.5 HB2 LYS 47 - H PHE 45 far 0 73 0 - 6.9-7.5 HB3 MET 74 - H PHE 45 far 0 61 0 - 7.3-8.6 HB2 GLU 35 - H ALA 71 far 0 70 0 - 7.7-11.4 Violated in 4 structures by 0.03 A. Peak 6725 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.21 A): 2 out of 9 assignments used, quality = 0.94: HB2 GLU 44 + H PHE 45 OK 92 100 100 92 2.5-4.0 2016=36, 3.9/6722=36...(12) * HB3 GLU 44 + H PHE 45 OK 22 100 25 89 3.6-4.4 3.9/6722=36, 2016=36...(9) HB2 ARG 46 - H PHE 45 far 4 84 5 - 3.9-6.2 QE MET 74 - H PHE 45 far 0 100 0 - 5.0-6.0 QE MET 74 - H ALA 71 far 0 71 0 - 5.0-6.4 HB3 MET 74 - H ALA 71 far 0 36 0 - 5.0-7.5 HB2 LYS 47 - H PHE 45 far 0 73 0 - 6.9-7.5 HB3 MET 74 - H PHE 45 far 0 61 0 - 7.3-8.6 HB2 GLU 35 - H ALA 71 far 0 70 0 - 7.7-11.4 Violated in 4 structures by 0.03 A. Peak 6726 from nnoeabs.peaks (2.13, 8.26, 119.27 ppm; 4.43 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 44 + H PHE 45 OK 100 100 100 100 2.2-4.4 6713/6722=70...(12) HB2 GLU 69 + H ALA 71 OK 47 69 70 96 4.7-5.4 4.6/7155=53...(10) HB3 GLU 69 - H ALA 71 far 7 69 10 - 5.1-6.2 HB2 GLN 72 - H ALA 71 far 0 49 0 - 5.8-6.4 HG2 GLU 69 - H ALA 71 far 0 69 0 - 6.0-7.1 HG2 GLU 75 - H ALA 71 far 0 36 0 - 8.7-10.7 HB2 GLU 75 - H ALA 71 far 0 71 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 6727 from nnoeabs.peaks (2.35, 8.26, 119.27 ppm; 5.15 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 44 + H PHE 45 OK 100 100 100 100 2.1-5.3 2030=96, 1996/3.6=83...(12) HG3 GLU 43 + H PHE 45 OK 32 75 50 86 5.5-6.7 5.0/6698=59, 3.7/6721=41...(4) HB2 TYR 41 + H PHE 45 OK 32 59 65 83 4.8-6.4 3.0/10584=74...(4) HG2 GLU 48 - H PHE 45 far 5 92 5 - 6.0-8.5 HG3 GLU 69 - H ALA 71 far 3 66 5 - 5.9-7.4 HB2 TYR 41 - H ALA 71 far 0 35 0 - 8.5-11.4 HG3 GLU 43 - H ALA 71 far 0 46 0 - 9.2-11.4 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 96 100 100 96 2.5-2.7 3.7=67, 2.5/6731=45...(13) HB3 PHE 45 + H PHE 45 OK 90 96 100 94 3.6-3.7 3.7=67, 2.5/6731=45...(12) HE3 LYS 47 - H PHE 45 far 0 99 0 - 4.4-9.8 HE2 LYS 47 - H PHE 45 far 0 99 0 - 5.3-8.8 HE2 LYS 73 - H ALA 71 far 0 45 0 - 7.0-9.4 HE3 LYS 73 - H ALA 71 far 0 38 0 - 7.2-9.8 HB2 PHE 45 - H ALA 71 far 0 71 0 - 8.9-10.5 HB3 PHE 45 - H ALA 71 far 0 64 0 - 9.9-11.9 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 3.6-3.7 3.7=70, 2.5/6731=47...(12) HB2 PHE 45 + H PHE 45 OK 93 96 100 97 2.5-2.7 3.7=70, 2.5/6731=47...(13) HE3 LYS 47 - H PHE 45 far 0 100 0 - 4.4-9.8 HE2 LYS 47 - H PHE 45 far 0 100 0 - 5.3-8.8 HE2 LYS 73 - H ALA 71 far 0 64 0 - 7.0-9.4 HE3 LYS 73 - H ALA 71 far 0 59 0 - 7.2-9.8 HB2 PHE 45 - H ALA 71 far 0 64 0 - 8.9-10.5 HB3 PHE 45 - H ALA 71 far 0 71 0 - 9.9-11.9 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 2.8-3.3 2035/3.0=68, 4.6=63...(18) QD PHE 45 - H ALA 71 far 0 70 0 - 7.6-9.3 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 4.2-4.7 2.2/6731=99, 9001/3.0=74...(14) QE PHE 45 - H ALA 71 far 0 71 0 - 7.9-10.0 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 1 assignment used, quality = 1.00: * H ARG 46 + H PHE 45 OK 100 100 100 100 2.1-2.8 6741=100, 6740/3.6=32...(14) Violated in 0 structures by 0.00 A. Peak 6735 from nnoeabs.peaks (7.47, 8.26, 119.27 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 47 + H PHE 45 OK 100 100 100 100 3.9-4.3 6759=100, 6755/6741=89...(10) HE22 GLN 72 - H ALA 71 far 5 46 10 - 5.3-8.1 HE ARG 46 - H PHE 45 far 0 100 0 - 6.1-8.7 H ILE 52 - H PHE 45 far 0 90 0 - 9.2-10.8 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 4.3-5.1 6719/6741=75...(11) HA LEU 14 + H GLU 16 OK 52 53 100 98 4.0-4.9 3.0/6204=81, 3.6/6222=48...(7) HA LYS 90 - H GLU 16 far 0 37 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 6738 from nnoeabs.peaks (3.88, 8.02, 118.14 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 43 + H ARG 46 OK 100 100 100 100 3.0-3.8 1958=86, 6705/6716=41...(14) HA LYS 12 + H GLU 16 OK 43 46 100 95 3.3-4.3 644/652=45, 8446/684=43...(11) HB3 SER 49 - H ARG 46 far 0 84 0 - 5.2-6.8 HA LYS 40 - H ARG 46 far 0 94 0 - 8.1-8.7 HA ALA 71 - H ARG 46 far 0 63 0 - 8.2-9.7 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 100 100 100 100 3.9-4.2 6722/6741=73, 6716=67...(11) H GLU 48 + H ARG 46 OK 95 97 100 98 4.2-4.9 6780/6755=72...(9) HE22 GLN 50 - H ARG 46 far 0 90 0 - 8.7-13.7 H LYS 40 - H ARG 46 far 0 75 0 - 9.5-10.0 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 3 assignments used, quality = 0.98: * HA GLU 44 + H ARG 46 OK 98 100 100 98 3.6-4.5 3.6/6741=76...(7) HA TYR 41 - H ARG 46 far 0 99 0 - 6.6-7.1 HB3 SER 9 - H GLU 16 far 0 62 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 6741 from nnoeabs.peaks (8.26, 8.02, 118.14 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + H ARG 46 OK 100 100 100 100 2.1-2.8 6734=95, 3.6/6740=31...(14) 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 3.3-3.5 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 12 assignments used, quality = 0.99: * HB2 PHE 45 + H ARG 46 OK 94 100 100 94 2.7-3.5 4.5=49, 3.7/6741=46...(15) HB3 PHE 45 + H ARG 46 OK 85 96 100 89 3.8-4.3 4.5=49, 3.7/6741=46...(13) HE3 LYS 47 - H ARG 46 far 5 99 5 - 4.0-8.6 HE2 LYS 12 - H GLU 16 far 0 50 0 - 4.6-8.9 HE3 LYS 12 - H GLU 16 far 0 57 0 - 5.1-8.8 HE2 LYS 47 - H ARG 46 far 0 99 0 - 5.2-7.8 HB3 ASP 11 - H GLU 16 far 0 62 0 - 6.2-6.9 HE2 LYS 13 - H GLU 16 far 0 52 0 - 6.2-9.7 HB2 SER 9 - H GLU 16 far 0 64 0 - 6.8-8.4 HE3 LYS 13 - H GLU 16 far 0 49 0 - 7.1-8.7 HE3 LYS 33 - H GLU 16 far 0 34 0 - 8.7-14.4 HE2 LYS 33 - H GLU 16 far 0 34 0 - 9.2-15.0 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: HB2 PHE 45 + H ARG 46 OK 90 96 100 94 2.7-3.5 4.5=50, 3.7/6741=46...(15) * HB3 PHE 45 + H ARG 46 OK 89 100 100 89 3.8-4.3 4.5=50, 3.7/6741=46...(13) HE3 LYS 47 - H ARG 46 far 5 100 5 - 4.0-8.6 HE3 LYS 12 - H GLU 16 far 0 65 0 - 5.1-8.8 HE2 LYS 47 - H ARG 46 far 0 100 0 - 5.2-7.8 HE3 LYS 90 - H GLU 16 far 0 42 0 - 6.0-12.0 HB3 ASP 11 - H GLU 16 far 0 47 0 - 6.2-6.9 HE2 LYS 13 - H GLU 16 far 0 64 0 - 6.2-9.7 HB2 SER 9 - H GLU 16 far 0 50 0 - 6.8-8.4 HE3 LYS 13 - H GLU 16 far 0 63 0 - 7.1-8.7 HG2 MET 21 - H GLU 16 far 0 47 0 - 9.3-11.5 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 4.2-4.6 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 6.0-6.4 9001/3.6=85...(7) 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 6 assignments used, quality = 1.00: * HA ARG 46 + H ARG 46 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 16 + H GLU 16 OK 44 44 100 100 2.8-2.8 3.0=100 HB2 SER 49 - H ARG 46 far 0 96 0 - 5.0-7.9 HA GLU 17 - H GLU 16 far 0 54 0 - 5.3-5.4 HA PRO 86 - H GLU 16 far 0 58 0 - 6.8-8.7 HA LYS 20 - H GLU 16 far 0 53 0 - 8.1-9.6 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...(22) HB3 ARG 46 + H ARG 46 OK 91 96 100 95 2.1-3.6 4.0=37, 1.8/2067=28...(21) HB3 GLU 17 - H GLU 16 far 0 41 0 - 4.6-5.2 QE MET 74 - H ARG 46 far 0 82 0 - 4.6-6.0 HB2 GLU 44 - H ARG 46 far 0 84 0 - 4.9-5.6 HB3 GLU 44 - H ARG 46 far 0 84 0 - 5.2-6.1 HB2 LYS 47 - H ARG 46 far 0 100 0 - 5.9-6.3 HB2 GLU 17 - H GLU 16 far 0 39 0 - 6.1-6.4 HB3 MET 74 - H ARG 46 far 0 98 0 - 6.3-8.1 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...(21) HB2 ARG 46 + H ARG 46 OK 91 96 100 95 2.1-3.6 4.0=37, 1.8/2077=29...(21) HB3 LYS 47 - H ARG 46 far 0 68 0 - 4.6-5.2 HB3 ARG 19 - H GLU 16 far 0 43 0 - 4.7-7.1 HB2 LYS 47 - H ARG 46 far 0 99 0 - 5.9-6.3 HB2 GLU 17 - H GLU 16 far 0 57 0 - 6.1-6.4 HB3 MET 74 - H ARG 46 far 0 100 0 - 6.3-8.1 HB3 LYS 20 - H GLU 16 far 0 49 0 - 6.7-8.5 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 8 assignments used, quality = 0.92: * HG2 ARG 46 + H ARG 46 OK 80 100 80 100 2.3-4.5 1.8/2095=55, 2086=53...(22) HG3 ARG 46 + H ARG 46 OK 61 61 100 99 2.1-4.1 1.8/2086=50, 4.9=37...(22) HB2 LYS 12 - H GLU 16 poor 14 32 45 - 4.1-5.0 HB2 LEU 42 - H ARG 46 far 0 94 0 - 5.9-6.7 HB2 LYS 90 - H GLU 16 far 0 61 0 - 7.3-12.4 HB3 LYS 90 - H GLU 16 far 0 63 0 - 7.4-11.8 HB3 LYS 39 - H ARG 46 far 0 63 0 - 9.2-10.8 HB3 LEU 57 - H GLU 16 far 0 65 0 - 9.6-10.6 Violated in 5 structures by 0.03 A. Peak 6752 from nnoeabs.peaks (1.79, 8.02, 118.14 ppm; 3.64 A): 3 out of 7 assignments used, quality = 1.00: * HG3 ARG 46 + H ARG 46 OK 100 100 100 100 2.1-4.1 2095=67, 1.8/2086=54...(22) HG2 ARG 46 + H ARG 46 OK 61 61 100 100 2.3-4.5 1.8/2095=59, 4.9=40...(22) HG3 ARG 19 + H GLU 16 OK 22 47 55 84 3.9-5.3 ~8503=21, 8519/660=18...(18) HB2 LEU 42 - H ARG 46 far 0 92 0 - 5.9-6.7 HB2 LYS 90 - H GLU 16 far 0 49 0 - 7.3-12.4 HB VAL 78 - H ARG 46 far 0 100 0 - 8.6-10.8 HB3 LEU 57 - H GLU 16 far 0 34 0 - 9.6-10.6 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 3.8-5.3 2104=98, 3.0/2095=87...(19) Violated in 1 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 3.3-5.0 3.0/2095=80, 3.0/2086=77...(18) HD2 ARG 19 + H GLU 16 OK 43 58 80 94 3.5-6.3 8502/3.0=39...(11) HD3 ARG 19 + H GLU 16 OK 41 58 75 94 3.8-7.0 8502/3.0=37...(11) HB2 ASP 77 - H ARG 46 far 0 96 0 - 8.1-11.0 Violated in 0 structures by 0.00 A. Peak 6755 from nnoeabs.peaks (7.47, 8.02, 118.14 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 47 + H ARG 46 OK 100 100 100 100 2.4-2.8 6761=96, 6760/3.6=27...(13) HE ARG 46 - H ARG 46 far 0 100 0 - 4.7-6.6 HE ARG 19 - H GLU 16 far 0 55 0 - 4.7-7.8 H ILE 52 - H ARG 46 far 0 90 0 - 8.4-9.7 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 3 assignments used, quality = 0.84: * HA GLU 43 + H LYS 47 OK 61 100 65 94 4.7-5.9 1958/6755=66...(9) HB3 SER 49 + H LYS 47 OK 60 84 75 96 4.6-6.0 10174/3.6=70...(11) HA LYS 40 - H LYS 47 far 0 94 0 - 9.6-10.5 Violated in 11 structures by 0.13 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 3.5-4.3 1998=95, 12089/6773=53...(14) HA TYR 41 - H LYS 47 far 0 99 0 - 8.0-8.8 Violated in 1 structures by 0.00 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 3.9-4.3 6735=96, 6741/6755=88...(11) 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 3.4-3.8 3.6/6755=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 = 1.00: * H ARG 46 + H LYS 47 OK 100 100 100 100 2.4-2.8 6755=100, 3.6/6760=28...(15) 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 3.3-3.5 3.6=100 HB2 SER 49 - H LYS 47 far 0 96 0 - 5.1-7.1 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 3.6-3.6 2134=64, 1.8/2146=52...(24) HB3 ARG 46 + H LYS 47 OK 51 96 70 76 3.0-4.3 4.0/6755=30, 4.7=27...(9) * HB2 ARG 46 + H LYS 47 OK 49 100 65 75 3.0-4.4 4.0/6755=30, 4.7=27...(8) HB3 GLU 44 - H LYS 47 far 0 84 0 - 4.9-6.4 HB2 GLU 44 - H LYS 47 far 0 84 0 - 5.3-6.3 QE MET 74 - H LYS 47 far 0 82 0 - 6.7-8.2 HB3 MET 74 - H LYS 47 far 0 98 0 - 8.6-10.2 Violated in 2 structures by 0.00 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 3.6-3.6 2134=57, 1.8/2146=48...(23) HB3 LYS 47 + H LYS 47 OK 66 68 100 98 2.3-2.7 1.8/2134=50, 3.0/6773=39...(24) * HB3 ARG 46 + H LYS 47 OK 47 100 65 72 3.0-4.3 4.0/6755=27, 4.7=24...(9) HB2 ARG 46 + H LYS 47 OK 41 96 60 72 3.0-4.4 4.0/6755=27, 4.7=24...(8) HB3 MET 74 - H LYS 47 far 0 100 0 - 8.6-10.2 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 3 assignments used, quality = 0.92: * HG2 ARG 46 + H LYS 47 OK 84 100 90 93 4.1-5.4 2086/6755=55...(8) HG3 ARG 46 + H LYS 47 OK 49 61 90 88 3.2-5.2 4.9/6755=47, 1.8/2094=30...(8) HB2 LEU 42 - H LYS 47 far 0 94 0 - 8.4-9.1 Violated in 16 structures by 0.12 A. Peak 6766 from nnoeabs.peaks (1.79, 7.47, 116.94 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.99: * HG3 ARG 46 + H LYS 47 OK 98 100 100 98 3.2-5.2 2095/6755=62...(8) HG2 ARG 46 + H LYS 47 OK 52 61 95 89 4.1-5.4 4.9/6755=51, 1.8/2103=37...(7) HB2 LEU 42 - H LYS 47 far 0 92 0 - 8.4-9.1 Violated in 7 structures by 0.03 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 2.8-2.9 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 3.6-3.6 2134=64, 1.8/2146=52...(23) HB3 ARG 46 + H LYS 47 OK 53 99 70 76 3.0-4.3 4.0/6755=30, 4.7=27...(9) HB2 ARG 46 + H LYS 47 OK 49 100 65 75 3.0-4.4 4.0/6755=30, 4.7=27...(8) HB3 GLU 44 - H LYS 47 far 0 73 0 - 4.9-6.4 HB2 GLU 44 - H LYS 47 far 0 73 0 - 5.3-6.3 QE MET 74 - H LYS 47 far 0 71 0 - 6.7-8.2 HB3 MET 74 - H LYS 47 far 0 100 0 - 8.6-10.2 Violated in 2 structures by 0.00 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 2.3-2.7 2146=57, 1.8/2134=51...(25) HB3 ARG 46 + H LYS 47 OK 31 68 65 71 3.0-4.3 4.0/6755=28, 4.7=25...(7) HB2 GLU 43 - H LYS 47 far 0 94 0 - 5.6-6.8 HB3 MET 74 - H LYS 47 far 0 61 0 - 8.6-10.2 HG LEU 42 - H LYS 47 far 0 81 0 - 9.5-10.1 HB VAL 54 - H LYS 47 far 0 59 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 6772 from nnoeabs.peaks (1.49, 7.47, 116.94 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 47 + H LYS 47 OK 100 100 100 100 1.9-3.8 1.8/6773=85, 3.0/2134=63...(33) HG13 ILE 52 - H LYS 47 far 0 70 0 - 6.6-7.8 HG LEU 2 - H LYS 47 far 0 87 0 - 7.7-9.4 Violated in 1 structures by 0.00 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 2168=71, 1.8/6772=58...(24) HB ILE 76 - H LYS 47 far 0 90 0 - 8.0-9.3 Violated in 1 structures by 0.00 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: * HD2 LYS 47 + H LYS 47 OK 100 100 100 100 3.4-4.7 3.0/6773=70, 3.0/6772=61...(34) HD3 LYS 47 + H LYS 47 OK 95 100 95 100 3.2-4.9 3.0/6773=70, 3.0/6772=61...(40) HB ILE 52 - H LYS 47 far 0 99 0 - 5.9-7.4 HB ILE 76 - H LYS 47 far 0 65 0 - 8.0-9.3 HB2 LEU 2 - H LYS 47 far 0 91 0 - 9.3-11.4 Violated in 5 structures by 0.01 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: HD2 LYS 47 + H LYS 47 OK 100 100 100 100 3.4-4.7 3.0/6773=70, 3.0/6772=61...(34) * HD3 LYS 47 + H LYS 47 OK 95 100 95 100 3.2-4.9 3.0/6773=70, 3.0/6772=61...(40) HB ILE 52 - H LYS 47 far 0 99 0 - 5.9-7.4 HB ILE 76 - H LYS 47 far 0 63 0 - 8.0-9.3 HB2 LEU 2 - H LYS 47 far 0 92 0 - 9.3-11.4 Violated in 5 structures by 0.01 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: HB2 PHE 45 + H LYS 47 OK 96 99 100 97 4.8-5.3 4.5/6755=65, 3.0/6760=63...(8) HB3 PHE 45 + H LYS 47 OK 96 100 100 96 5.0-5.5 4.5/6755=65, 3.0/6760=63...(7) * HE2 LYS 47 + H LYS 47 OK 90 100 90 100 3.6-6.0 3.8/6773=76, 3.8/6772=70...(30) HE3 LYS 47 + H LYS 47 OK 85 100 85 100 3.1-6.2 3.8/6773=76, 3.8/6772=70...(30) 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: HB2 PHE 45 + H LYS 47 OK 96 99 100 97 4.8-5.3 4.5/6755=65, 3.0/6760=63...(8) HB3 PHE 45 + H LYS 47 OK 96 100 100 96 5.0-5.5 4.5/6755=65, 3.0/6760=63...(7) HE2 LYS 47 + H LYS 47 OK 90 100 90 100 3.6-6.0 3.8/6773=76, 3.8/6772=70...(30) * HE3 LYS 47 + H LYS 47 OK 85 100 85 100 3.1-6.2 3.8/6773=76, 3.8/6772=70...(30) 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 2.5-2.8 6780=100, 2144/2134=38...(22) H GLU 44 - H LYS 47 far 0 97 0 - 5.2-5.8 HE22 GLN 50 - H LYS 47 far 0 99 0 - 6.9-12.3 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 2.5-2.8 6778=95, 2134/2144=36...(22) H ILE 52 - H GLU 48 far 0 90 0 - 6.0-7.5 HE ARG 46 - H GLU 48 far 0 100 0 - 7.0-9.6 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 2 assignments used, quality = 1.00: * HA LYS 47 + H GLU 48 OK 100 100 100 100 3.5-3.6 3.6=100 HA MET 1 - H GLU 48 far 0 97 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 6782 from nnoeabs.peaks (1.97, 7.62, 118.85 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 47 + H GLU 48 OK 100 100 100 100 3.3-3.8 2144=100, 1.8/2156=57...(14) HB2 ARG 46 - H GLU 48 far 0 100 0 - 5.2-6.2 HB3 ARG 46 - H GLU 48 far 0 99 0 - 5.4-6.1 HB3 GLU 44 - H GLU 48 far 0 73 0 - 5.7-8.0 HB2 GLU 44 - H GLU 48 far 0 73 0 - 6.2-8.1 QE MET 74 - H GLU 48 far 0 71 0 - 8.5-10.0 QE MET 1 - H GLU 48 far 0 99 0 - 8.7-10.7 HB3 MET 74 - H GLU 48 far 0 100 0 - 9.5-11.9 Violated in 16 structures by 0.06 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 2.2-3.9 1.8/2144=73, 2156=63...(13) HB3 ARG 46 - H GLU 48 far 0 68 0 - 5.4-6.1 HB2 GLU 43 - H GLU 48 far 0 94 0 - 8.2-9.5 HB3 MET 74 - H GLU 48 far 0 61 0 - 9.5-11.9 HB VAL 54 - H GLU 48 far 0 59 0 - 9.9-11.6 Violated in 8 structures by 0.09 A. Peak 6784 from nnoeabs.peaks (1.49, 7.62, 118.85 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 47 + H GLU 48 OK 100 100 100 100 2.1-4.9 3.0/6783=85, 3.0/2144=85...(16) HG13 ILE 52 - H GLU 48 far 10 70 15 - 5.5-6.2 HG LEU 2 - H GLU 48 far 9 87 10 - 5.7-7.5 HG2 LYS 53 - H GLU 48 far 0 81 0 - 9.7-10.8 Violated in 4 structures by 0.01 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 1.9-5.0 6773/6780=87...(13) HB ILE 76 - H GLU 48 far 0 90 0 - 8.1-10.2 Violated in 5 structures by 0.02 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: HB ILE 52 + H GLU 48 OK 99 99 100 100 4.1-5.6 3.2/9036=70...(13) * HD2 LYS 47 + H GLU 48 OK 95 100 95 100 4.1-6.3 3.9/6783=75, 3.9/2144=74...(13) HD3 LYS 47 + H GLU 48 OK 65 100 65 100 4.1-6.5 3.9/6783=75, 3.9/2144=74...(14) HB2 LEU 2 - H GLU 48 far 0 91 0 - 7.7-9.4 HB ILE 76 - H GLU 48 far 0 65 0 - 8.1-10.2 Violated in 0 structures by 0.00 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: HB ILE 52 + H GLU 48 OK 98 99 100 100 4.1-5.6 3.2/9036=70...(13) HD2 LYS 47 + H GLU 48 OK 95 100 95 100 4.1-6.3 3.9/6783=75, 3.9/2144=74...(13) * HD3 LYS 47 + H GLU 48 OK 65 100 65 100 4.1-6.5 3.9/6783=75, 3.9/2144=74...(14) HB2 LEU 2 - H GLU 48 far 0 92 0 - 7.7-9.4 HB ILE 76 - H GLU 48 far 0 63 0 - 8.1-10.2 Violated in 0 structures by 0.00 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: HB3 PHE 45 + H GLU 48 OK 96 100 100 96 4.7-5.4 3.0/10190=83...(8) * HE2 LYS 47 + H GLU 48 OK 95 100 95 100 4.0-6.4 4.9/6783=70, 4.9/2144=69...(13) HB2 PHE 45 + H GLU 48 OK 95 99 100 96 5.5-6.0 3.0/10190=83...(7) HE3 LYS 47 + H GLU 48 OK 85 100 85 100 4.4-6.8 4.9/6783=70, 4.9/2144=69...(13) HB2 ASN 51 - H GLU 48 far 0 81 0 - 8.9-10.8 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: HB3 PHE 45 + H GLU 48 OK 96 100 100 96 4.7-5.4 3.0/10190=83...(8) HE2 LYS 47 + H GLU 48 OK 95 100 95 100 4.0-6.4 4.9/6783=70, 4.9/2144=69...(13) HB2 PHE 45 + H GLU 48 OK 95 99 100 96 5.5-6.0 3.0/10190=83...(7) * HE3 LYS 47 + H GLU 48 OK 85 100 85 100 4.4-6.8 4.9/6783=70, 4.9/2144=69...(13) HB2 ASN 51 - H GLU 48 far 0 81 0 - 8.9-10.8 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 4 assignments used, quality = 1.00: * HA GLU 48 + H GLU 48 OK 100 100 100 100 2.9-2.9 3.0=100 HA ILE 76 - H GLU 48 far 0 100 0 - 7.4-9.6 HA GLN 50 - H GLU 48 far 0 77 0 - 7.5-8.1 HA LEU 2 - H GLU 48 far 0 68 0 - 9.7-11.1 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 99 100 100 99 3.4-3.9 1.8/6792=69, 2230=57...(17) HG2 GLU 48 + H GLU 48 OK 64 68 100 95 1.9-3.6 1.8/6794=49, 3.0/6792=49...(12) HB2 TYR 4 - H GLU 48 far 0 100 0 - 8.6-10.2 HG3 GLU 43 - H GLU 48 far 0 87 0 - 9.4-11.6 Violated in 2 structures by 0.01 A. Peak 6792 from nnoeabs.peaks (2.05, 7.62, 118.85 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLU 48 + H GLU 48 OK 99 100 100 99 2.1-3.1 2237=76, 1.8/2230=52...(15) HB2 GLN 50 - H GLU 48 far 0 87 0 - 6.3-8.1 HB3 GLU 43 - H GLU 48 far 0 95 0 - 8.6-10.0 HB2 MET 74 - H GLU 48 far 0 96 0 - 9.1-11.7 Violated in 0 structures by 0.00 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 1.9-3.6 1.8/6794=55, 3.0/6792=54...(15) HB2 GLU 48 + H GLU 48 OK 67 68 100 99 3.4-3.9 1.8/6792=74, 4.0=56...(16) HG3 GLU 44 - H GLU 48 far 0 92 0 - 5.4-8.8 HG3 GLU 43 - H GLU 48 far 0 99 0 - 9.4-11.6 Violated in 1 structures by 0.00 A. Peak 6794 from nnoeabs.peaks (2.43, 7.62, 118.85 ppm; 3.91 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 48 + H GLU 48 OK 100 100 100 100 2.0-3.9 2251=85, 3.0/6792=71...(18) HG3 GLN 50 - H GLU 48 far 0 100 0 - 5.1-9.2 HG2 GLN 50 - H GLU 48 far 0 79 0 - 6.0-9.7 HB3 TYR 4 - H GLU 48 far 0 79 0 - 8.9-11.0 HG3 MET 1 - H GLU 48 far 0 99 0 - 9.8-13.0 Violated in 2 structures by 0.00 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 2.5-3.9 6797=88, 6798/3.0=53...(21) Violated in 1 structures by 0.03 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 2.5-3.9 6795=100, 3.0/6798=58...(21) HE22 GLN 50 - H SER 49 far 15 99 15 - 3.5-8.6 H GLU 44 - H SER 49 far 0 97 0 - 8.7-11.0 Violated in 1 structures by 0.02 A. Peak 6798 from nnoeabs.peaks (4.43, 7.72, 114.22 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 48 + H SER 49 OK 100 100 100 100 2.2-3.6 3.6=85, 3.0/6795=53...(19) HA GLN 50 - H SER 49 far 0 77 0 - 4.5-5.4 HA ILE 76 - H SER 49 far 0 100 0 - 6.4-8.2 HA LEU 2 - H SER 49 far 0 68 0 - 10.0-11.3 Violated in 7 structures by 0.07 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 2.9-4.6 2236=74, 3.0/6798=72...(16) HG2 GLU 48 + H SER 49 OK 67 68 100 99 3.7-4.9 3.0/6800=56, 4.1/6798=54...(12) HB2 TYR 4 - H SER 49 far 0 100 0 - 8.8-11.4 Violated in 9 structures by 0.02 A. Peak 6800 from nnoeabs.peaks (2.05, 7.72, 114.22 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 48 + H SER 49 OK 100 100 100 100 2.0-4.3 2243=88, 3.0/6798=77...(14) HB2 GLN 50 - H SER 49 far 9 87 10 - 4.3-6.5 HB2 MET 74 - H SER 49 far 0 96 0 - 8.8-11.3 Violated in 0 structures by 0.00 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 3.7-4.9 2250=72, 3.0/6800=63...(14) HB2 GLU 48 + H SER 49 OK 67 68 100 100 2.9-4.6 4.6=83, 1.8/6800=79...(16) HG3 GLU 44 - H SER 49 far 0 92 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 6802 from nnoeabs.peaks (2.43, 7.72, 114.22 ppm; 4.86 A): 3 out of 5 assignments used, quality = 0.94: * HG3 GLU 48 + H SER 49 OK 75 100 75 100 3.7-5.9 1.8/2250=80...(14) HG2 GLN 50 + H SER 49 OK 51 79 75 87 4.5-7.4 5.1/6806=52, 9049/2.9=38...(6) HG3 GLN 50 + H SER 49 OK 49 100 55 88 4.1-7.0 5.1/6806=52, ~9051=36...(7) HG3 MET 1 - H SER 49 far 0 99 0 - 9.3-11.9 HB3 TYR 4 - H SER 49 far 0 79 0 - 9.9-12.4 Violated in 1 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 3.1-3.9 3.9=85, 1.8/6805=74...(8) HA ARG 46 + H SER 49 OK 81 96 95 89 3.3-5.2 10174/3.9=41, 12313=37...(8) 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 = 0.99: * HB3 SER 49 + H SER 49 OK 99 100 100 99 2.1-3.2 2268=84, 1.8/6804=40...(11) HA GLU 43 - H SER 49 far 0 84 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 6806 from nnoeabs.peaks (8.55, 7.72, 114.22 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 50 + H SER 49 OK 100 100 100 100 2.4-2.8 6808=89, 2262/2.9=68...(17) H ASN 51 - H SER 49 poor 19 97 20 - 4.5-6.8 H LEU 2 - H SER 49 far 0 59 0 - 7.7-10.1 Violated in 0 structures by 0.00 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 1 assignment used, quality = 1.00: * H SER 49 + H GLN 50 OK 100 100 100 100 2.4-2.8 6806=100, 2.9/2262=72...(16) Violated in 0 structures by 0.00 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 2.9-3.5 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): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 49 + H GLN 50 OK 100 100 100 100 3.8-4.6 4.3=100 HA ARG 46 - H GLN 50 far 0 96 0 - 5.8-7.2 Violated in 3 structures by 0.01 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 3.0-4.6 4.3=100 Violated in 0 structures by 0.00 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 2.7-2.9 3.0=100 HA GLU 48 + H GLN 50 OK 74 77 100 96 3.1-4.2 12314=52, 3.6/6806=46...(15) HA ILE 76 - H GLN 50 far 0 77 0 - 7.3-9.5 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 3 assignments used, quality = 0.98: * HB2 GLN 50 + H GLN 50 OK 97 100 100 97 2.8-3.9 4.0=69, 1.8/6814=64...(9) HB3 GLU 48 + H GLN 50 OK 32 87 40 92 2.6-5.1 3.0/12314=45...(9) HB3 MET 1 - H GLN 50 far 0 91 0 - 8.2-11.9 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 = 1.00: * HB3 GLN 50 + H GLN 50 OK 100 100 100 100 2.2-3.4 4.0=89, 1.8/6813=62...(10) HG2 MET 1 - H GLN 50 far 0 87 0 - 6.9-11.2 HB3 GLU 75 - H GLN 50 far 0 96 0 - 9.1-12.4 HB2 GLU 75 - H GLN 50 far 0 59 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 6815 from nnoeabs.peaks (2.40, 8.55, 120.13 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.98: * HG2 GLN 50 + H GLN 50 OK 93 100 95 98 2.3-4.8 2.9/6814=58, 2.9/6813=48...(12) HG3 GLN 50 + H GLN 50 OK 73 75 100 97 2.2-4.3 2.9/6814=58, 2.9/6813=48...(12) HG3 GLU 48 - H GLN 50 far 0 79 0 - 4.8-6.7 HG3 MET 1 - H GLN 50 far 0 94 0 - 7.5-10.3 Violated in 2 structures by 0.01 A. Peak 6816 from nnoeabs.peaks (2.43, 8.55, 120.13 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.99: * HG3 GLN 50 + H GLN 50 OK 97 100 100 97 2.2-4.3 2.9/6814=55, 2305=51...(12) HG2 GLN 50 + H GLN 50 OK 70 75 95 98 2.3-4.8 2.9/6814=55, 2.9/6813=45...(12) HG3 GLU 48 - H GLN 50 far 0 100 0 - 4.8-6.7 HG3 MET 1 - H GLN 50 far 0 98 0 - 7.5-10.3 Violated in 2 structures by 0.02 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): 1 out of 3 assignments used, quality = 1.00: * HA GLN 50 + HE21 GLN 50 OK 100 100 100 100 2.1-5.7 5.7=100 HA GLU 48 - HE21 GLN 50 poor 19 77 25 - 2.7-8.9 HA ILE 76 - HE21 GLN 50 far 0 77 0 - 9.8-14.6 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 2 assignments used, quality = 1.00: * HB3 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.3-5.3 4.5=100 HG2 MET 1 - HE21 GLN 50 far 0 87 0 - 9.3-13.2 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 2.4-4.1 3.5=100 HG3 GLN 50 + HE21 GLN 50 OK 75 75 100 100 3.5-4.1 3.5=100 HG3 GLU 48 - HE21 GLN 50 far 0 79 0 - 5.6-11.7 HG3 MET 1 - HE21 GLN 50 far 0 94 0 - 8.7-11.7 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 3.5-4.1 3.5=100 HG2 GLN 50 + HE21 GLN 50 OK 75 75 100 100 2.4-4.1 3.5=100 HG3 GLU 48 - HE21 GLN 50 far 0 100 0 - 5.6-11.7 HG3 MET 1 - HE21 GLN 50 far 0 98 0 - 8.7-11.7 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 4 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 8 77 10 - 4.1-8.0 HA ILE 76 - H ASN 51 far 0 77 0 - 7.8-9.8 HA SER 102 - H ASN 51 far 0 94 0 - 7.9-15.8 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 3.4-4.3 1.8/6830=78, 4.6=74...(15) HB3 GLU 48 - H ASN 51 poor 17 87 20 - 4.1-8.2 HB3 MET 1 - H ASN 51 far 0 91 0 - 5.6-9.3 Violated in 1 structures by 0.00 A. Peak 6830 from nnoeabs.peaks (2.17, 8.53, 118.16 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + H ASN 51 OK 100 100 100 100 2.2-4.5 1.8/6829=75, 4.6=71...(9) HG2 MET 1 - H ASN 51 far 0 87 0 - 5.2-8.6 Violated in 14 structures by 0.19 A. Peak 6831 from nnoeabs.peaks (2.40, 8.53, 118.16 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + H ASN 51 OK 100 100 100 100 2.4-5.5 2.9/6830=73, 2.9/6829=72...(11) HG3 GLN 50 + H ASN 51 OK 49 75 65 100 2.8-5.7 2.9/6830=73, 2.9/6829=72...(11) HG3 MET 1 - H ASN 51 far 0 94 0 - 5.7-7.4 HG3 GLU 48 - H ASN 51 far 0 79 0 - 6.4-10.0 Violated in 0 structures by 0.00 A. Peak 6832 from nnoeabs.peaks (2.43, 8.53, 118.16 ppm; 4.55 A): 2 out of 5 assignments used, quality = 0.88: HG2 GLN 50 + H ASN 51 OK 71 75 95 100 2.4-5.5 2.9/6830=72, 2.9/6829=71...(11) * HG3 GLN 50 + H ASN 51 OK 60 100 60 100 2.8-5.7 2.9/6830=72, 2.9/6829=71...(11) HG3 MET 1 - H ASN 51 far 0 98 0 - 5.7-7.4 HG3 GLU 48 - H ASN 51 far 0 100 0 - 6.4-10.0 HB3 TYR 4 - H ASN 51 far 0 82 0 - 9.9-13.8 Violated in 2 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 5 assignments used, quality = 0.99: * HB2 ASN 51 + H ASN 51 OK 99 100 100 99 3.5-4.1 1.8/6836=82, 4.0=82...(11) HB3 PHE 45 - H ASN 51 far 0 91 0 - 7.4-10.2 HB2 PHE 45 - H ASN 51 far 0 63 0 - 8.7-11.4 HE2 LYS 47 - H ASN 51 far 0 81 0 - 9.4-15.0 HE3 LYS 47 - H ASN 51 far 0 81 0 - 9.9-14.9 Violated in 19 structures by 0.20 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 2.4-3.6 1.8/6835=62, 4.0=62...(10) Violated in 15 structures by 0.05 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 3.0-4.7 3.5/6836=89, 3.5/6835=85...(12) 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 2 assignments used, quality = 0.99: * H ILE 52 + H ASN 51 OK 99 100 100 99 2.1-2.8 6854/3.0=66, 6853=55...(16) H LYS 47 - H ASN 51 far 0 90 0 - 7.9-11.1 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): 1 out of 3 assignments used, quality = 1.00: * H ASN 51 + HD21 ASN 51 OK 100 100 100 100 3.8-5.3 6836/3.5=88, 6835/3.5=83...(11) H LEU 2 - HD21 ASN 51 far 0 85 0 - 6.6-8.3 H GLN 50 - HD21 ASN 51 far 0 97 0 - 6.8-8.1 Violated in 4 structures by 0.02 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 3.4-4.8 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 1 assignment used, quality = 1.00: * HB2 ASN 51 + HD21 ASN 51 OK 100 100 100 100 3.5-4.1 3.5=100 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 5 structures by 0.01 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): 2 out of 3 assignments used, quality = 1.00: * H ASN 51 + HD22 ASN 51 OK 100 100 100 100 3.0-4.7 6838=92, 6836/3.5=86...(12) H LEU 2 + HD22 ASN 51 OK 42 85 50 97 5.0-7.6 3.6/8001=56, 4.7/9126=51...(9) H GLN 50 - HD22 ASN 51 far 15 97 15 - 5.1-8.2 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 1.9-4.5 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 1 assignment used, quality = 1.00: * HB2 ASN 51 + HD22 ASN 51 OK 100 100 100 100 2.2-3.5 3.5=100 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 2.1-3.5 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 - 9.9-12.6 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): 2 out of 4 assignments used, quality = 1.00: * H ASN 51 + H ILE 52 OK 100 100 100 100 2.1-2.8 6839=97, 3.0/6854=65...(15) H GLN 50 + H ILE 52 OK 81 97 100 84 3.2-4.5 4.6/6839=35, 3.0/9139=33...(10) H LEU 2 - H ILE 52 far 0 85 0 - 4.8-6.9 H ARG 79 - H ILE 52 far 0 68 0 - 9.8-11.3 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 2.8-3.1 2319=87, 3.0/6839=40...(6) Violated in 0 structures by 0.00 A. Peak 6855 from nnoeabs.peaks (2.95, 7.49, 117.93 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 51 + H ILE 52 OK 100 100 100 100 4.3-4.5 2326=98, 3.0/6854=84...(11) HB3 PHE 45 - H ILE 52 far 0 91 0 - 6.0-7.5 HB2 PHE 45 - H ILE 52 far 0 63 0 - 7.2-9.0 HE2 LYS 47 - H ILE 52 far 0 81 0 - 9.4-13.7 Violated in 18 structures by 0.07 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 3.9-4.2 4.6=89, 3.0/6854=86...(12) Violated in 0 structures by 0.00 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 = 1.00: * HB ILE 52 + H ILE 52 OK 100 100 100 100 2.2-3.0 3.8=79, 2.1/2350=59...(14) HB3 LYS 53 - H ILE 52 far 0 96 0 - 6.1-6.6 HB2 LEU 2 - H ILE 52 far 0 75 0 - 7.0-8.4 HB ILE 76 - H ILE 52 far 0 84 0 - 8.0-10.1 Violated in 0 structures by 0.00 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 1.9-3.4 2350=77, 2.1/6860=67...(18) QD2 LEU 2 + H ILE 52 OK 75 77 100 97 3.1-4.2 9116/6856=24...(23) QG1 VAL 78 - H ILE 52 far 0 71 0 - 6.8-9.3 QD1 ILE 76 - H ILE 52 far 0 90 0 - 7.2-9.2 QD2 LEU 42 - H ILE 52 far 0 98 0 - 8.1-9.9 QG1 VAL 54 - H ILE 52 far 0 95 0 - 8.5-9.1 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 3.5-4.4 2358=73, 3.0/6860=63...(11) Violated in 18 structures by 0.30 A. Peak 6863 from nnoeabs.peaks (1.46, 7.49, 117.93 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 52 + H ILE 52 OK 100 100 100 100 4.3-4.7 1.8/6862=76, 3.0/6860=65...(12) HG2 LYS 53 + H ILE 52 OK 76 100 100 76 4.1-4.4 9106/6839=27...(9) HG3 LYS 53 - H ILE 52 far 0 99 0 - 4.9-5.8 HD2 LYS 53 - H ILE 52 far 0 100 0 - 5.3-7.0 HG13 ILE 76 - H ILE 52 far 0 91 0 - 7.6-10.8 HG2 LYS 47 - H ILE 52 far 0 70 0 - 8.6-12.1 Violated in 15 structures by 0.05 A. Peak 6864 from nnoeabs.peaks (0.69, 7.49, 117.93 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 52 + H ILE 52 OK 100 100 100 100 4.2-4.5 2.1/6862=84, 4.8=75...(14) QG2 VAL 54 - H ILE 52 far 0 57 0 - 6.0-6.6 QG2 VAL 78 - H ILE 52 far 0 82 0 - 7.3-10.0 QD2 LEU 27 - H ILE 52 far 0 68 0 - 9.1-10.1 Violated in 11 structures by 0.03 A. Peak 6865 from nnoeabs.peaks (8.47, 7.49, 117.93 ppm; 4.79 A): 1 out of 3 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 - 6.9-7.6 H ARG 79 - H ILE 52 far 0 73 0 - 9.8-11.3 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 - 9.4-10.3 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 = 0.99: * HA ILE 52 + H LYS 53 OK 99 100 100 99 2.2-2.2 2341=93, 3.0/2349=31...(23) 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 8 assignments used, quality = 0.99: HB3 LYS 53 + H LYS 53 OK 95 96 100 98 2.8-3.1 3.9=66, 8114/9182=37...(22) * HB ILE 52 + H LYS 53 OK 83 100 85 98 4.0-4.4 3.0/6868=58, 2349=52...(15) HB2 LEU 2 - H LYS 53 far 0 75 0 - 5.3-6.9 HB3 ARG 79 - H LYS 53 far 0 96 0 - 7.9-11.1 HB ILE 76 - H LYS 53 far 0 84 0 - 8.1-10.0 HD2 LYS 47 - H LYS 53 far 0 99 0 - 9.4-13.9 HD3 LYS 47 - H LYS 53 far 0 99 0 - 9.8-14.6 HB3 LEU 6 - H LYS 53 far 0 90 0 - 10.0-12.6 Violated in 0 structures by 0.00 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 2.5-4.0 3.2/6868=63, 4.3=62...(18) QD2 LEU 2 + H LYS 53 OK 62 77 100 81 2.9-4.2 2337/6868=21...(14) QG1 VAL 54 - H LYS 53 far 0 95 0 - 5.4-6.1 QG1 VAL 78 - H LYS 53 far 0 71 0 - 5.5-7.1 QD1 LEU 27 - H LYS 53 far 0 99 0 - 6.8-7.8 QD2 LEU 42 - H LYS 53 far 0 98 0 - 6.9-8.3 QD1 ILE 76 - H LYS 53 far 0 90 0 - 7.6-9.2 QD1 LEU 6 - H LYS 53 far 0 99 0 - 8.0-9.3 QG2 ILE 93 - H LYS 53 far 0 81 0 - 8.9-10.2 QD2 LEU 57 - H LYS 53 far 0 95 0 - 9.9-10.7 Violated in 0 structures by 0.00 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 2.5-4.4 2365=81, 3.8/6868=76...(14) HB3 LEU 55 - H LYS 53 far 0 97 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 6872 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.5 5.0=40, 3.0/6876=34...(26) * HG13 ILE 52 + H LYS 53 OK 99 100 100 99 2.5-3.3 3.8/6868=54, 1.8/6871=51...(15) HG3 LYS 53 + H LYS 53 OK 98 99 100 99 3.0-4.6 5.0=40, 3.0/6876=34...(27) HD2 LYS 53 - H LYS 53 far 10 100 10 - 4.4-5.4 HB2 LEU 27 - H LYS 53 far 0 100 0 - 9.1-10.3 QB ALA 22 - H LYS 53 far 0 90 0 - 9.3-10.5 HG13 ILE 76 - H LYS 53 far 0 91 0 - 9.3-11.1 HG2 LYS 47 - H LYS 53 far 0 70 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 6873 from nnoeabs.peaks (0.69, 8.47, 123.25 ppm; 4.60 A): 2 out of 9 assignments used, quality = 1.00: * QD1 ILE 52 + H LYS 53 OK 100 100 100 100 4.0-4.6 2.1/6871=75, 4.1/6868=72...(17) QG2 VAL 54 + H LYS 53 OK 54 57 100 95 3.4-4.2 ~9232=34, 9231/3.0=32...(17) QG2 VAL 78 - H LYS 53 far 0 82 0 - 5.8-8.5 QD2 LEU 27 - H LYS 53 far 0 68 0 - 6.2-6.8 QD2 LEU 6 - H LYS 53 far 0 99 0 - 7.8-10.7 QG1 VAL 5 - H LYS 53 far 0 73 0 - 8.0-9.3 QD1 ILE 56 - H LYS 53 far 0 98 0 - 8.1-9.9 HG13 ILE 56 - H LYS 53 far 0 92 0 - 9.4-11.4 QD1 LEU 42 - H LYS 53 far 0 100 0 - 9.5-10.8 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 3.9-3.9 3.9=100 HB VAL 5 - H LYS 53 far 0 92 0 - 9.3-10.1 HG2 ARG 46 - H LYS 53 far 0 96 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 6876 from nnoeabs.peaks (1.69, 8.47, 123.25 ppm; 3.42 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 53 + H LYS 53 OK 98 100 100 98 2.8-3.1 3.9=66, 8114/9182=38...(22) HB ILE 52 + H LYS 53 OK 80 96 85 98 4.0-4.4 3.0/6868=58, 2349=50...(15) HB2 LEU 2 - H LYS 53 far 0 96 0 - 5.3-6.9 HB3 ARG 79 - H LYS 53 far 0 75 0 - 7.9-11.1 HD2 LYS 47 - H LYS 53 far 0 100 0 - 9.4-13.9 HD3 LYS 47 - H LYS 53 far 0 100 0 - 9.8-14.6 HB3 LEU 6 - H LYS 53 far 0 63 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 6877 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.5 5.0=40, 3.0/6876=34...(27) HG3 LYS 53 + H LYS 53 OK 99 100 100 99 3.0-4.6 5.0=40, 3.0/6876=34...(27) HG13 ILE 52 + H LYS 53 OK 98 100 100 99 2.5-3.3 3.8/6868=54, 1.8/6871=51...(15) HD2 LYS 53 - H LYS 53 far 10 100 10 - 4.4-5.4 HB2 LEU 27 - H LYS 53 far 0 100 0 - 9.1-10.3 QB ALA 22 - H LYS 53 far 0 81 0 - 9.3-10.5 HG13 ILE 76 - H LYS 53 far 0 82 0 - 9.3-11.1 HG2 LYS 47 - H LYS 53 far 0 81 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 6878 from nnoeabs.peaks (1.47, 8.47, 123.25 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.5 5.0=40, 3.0/6876=34...(27) * HG3 LYS 53 + H LYS 53 OK 99 100 100 99 3.0-4.6 5.0=40, 3.0/6876=34...(27) HG13 ILE 52 + H LYS 53 OK 97 99 100 99 2.5-3.3 3.8/6868=54, 1.8/6871=51...(16) HD2 LYS 53 - H LYS 53 far 10 99 10 - 4.4-5.4 HB2 LEU 27 - H LYS 53 far 0 99 0 - 9.1-10.3 QB ALA 22 - H LYS 53 far 0 71 0 - 9.3-10.5 HG13 ILE 76 - H LYS 53 far 0 73 0 - 9.3-11.1 HG2 LYS 47 - H LYS 53 far 0 88 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 6879 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.5 5.0=40, 3.0/6876=34...(27) HG13 ILE 52 + H LYS 53 OK 99 100 100 99 2.5-3.3 3.8/6868=54, 1.8/6871=51...(15) HG3 LYS 53 + H LYS 53 OK 98 99 100 99 3.0-4.6 5.0=40, 3.0/6876=34...(27) ! HD2 LYS 53 - H LYS 53 far 10 100 10 - 4.4-5.4 HB2 LEU 27 - H LYS 53 far 0 100 0 - 9.1-10.3 QB ALA 22 - H LYS 53 far 0 87 0 - 9.3-10.5 HG13 ILE 76 - H LYS 53 far 0 88 0 - 9.3-11.1 HG2 LYS 47 - H LYS 53 far 0 73 0 - 9.4-13.0 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 8 assignments used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 100 100 100 100 3.8-5.5 2451/3.9=90, 5.9=81...(18) HB2 LEU 3 + H LYS 53 OK 100 100 100 100 4.1-5.9 3.0/8064=91, 3.1/9182=89...(10) HG LEU 2 + H LYS 53 OK 54 63 100 86 3.6-6.1 2.1/6870=38, 3.0/9184=33...(8) HG2 ARG 79 - H LYS 53 far 0 94 0 - 6.7-10.7 HG3 ARG 79 - H LYS 53 far 0 95 0 - 7.4-10.9 HB3 GLU 28 - H LYS 53 far 0 99 0 - 7.5-8.6 HG LEU 6 - H LYS 53 far 0 82 0 - 8.9-10.4 HG12 ILE 56 - H LYS 53 far 0 91 0 - 9.5-11.7 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 = 0.98: * HA LYS 53 + H VAL 54 OK 98 100 100 98 2.1-2.4 3.6=57, 3.0/6887=39...(22) 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 2.5-3.6 3.0/6886=63, 1.8/6888=53...(15) HB VAL 5 - H VAL 54 far 0 92 0 - 8.7-9.3 HG2 ARG 46 - H VAL 54 far 0 96 0 - 8.8-12.3 HB2 LEU 42 - H VAL 54 far 0 70 0 - 9.3-10.9 HB2 GLU 104 - H VAL 54 far 0 73 0 - 9.6-18.2 Violated in 7 structures by 0.02 A. Peak 6888 from nnoeabs.peaks (1.69, 8.49, 120.76 ppm; 4.17 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 53 + H VAL 54 OK 100 100 100 100 3.4-4.4 1.8/6887=91, 4.4=87...(17) HB3 ARG 79 - H VAL 54 far 4 75 5 - 4.7-7.6 HB ILE 52 - H VAL 54 far 0 96 0 - 6.6-7.7 HB3 LEU 6 - H VAL 54 far 0 63 0 - 7.1-10.0 HB2 LEU 2 - H VAL 54 far 0 96 0 - 8.9-10.8 HD3 LYS 68 - H VAL 54 far 0 70 0 - 9.8-14.1 Violated in 11 structures by 0.05 A. Peak 6889 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.80: * HG2 LYS 53 + H VAL 54 OK 65 100 65 99 4.5-5.1 3.0/6887=67, 3.9/6886=60...(18) HG3 LYS 53 + H VAL 54 OK 45 100 45 99 4.2-5.6 3.0/6887=67, 3.9/6886=60...(18) HD2 LYS 53 - H VAL 54 far 10 100 10 - 4.6-6.8 HG13 ILE 52 - H VAL 54 far 5 100 5 - 4.5-6.8 HG13 ILE 76 - H VAL 54 far 0 82 0 - 8.2-9.5 HB2 LEU 38 - H VAL 54 far 0 99 0 - 9.9-13.0 QB ALA 22 - H VAL 54 far 0 81 0 - 10.0-10.9 Violated in 20 structures by 0.33 A. Peak 6890 from nnoeabs.peaks (1.47, 8.49, 120.76 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.80: HG2 LYS 53 + H VAL 54 OK 64 100 65 99 4.5-5.1 3.0/6887=67, 3.9/6886=60...(18) * HG3 LYS 53 + H VAL 54 OK 45 100 45 99 4.2-5.6 3.0/6887=67, 3.9/6886=60...(18) HD2 LYS 53 - H VAL 54 far 10 99 10 - 4.6-6.8 HG13 ILE 52 - H VAL 54 far 5 99 5 - 4.5-6.8 HG13 ILE 76 - H VAL 54 far 0 73 0 - 8.2-9.5 HB2 LEU 38 - H VAL 54 far 0 98 0 - 9.9-13.0 QB ALA 22 - H VAL 54 far 0 71 0 - 10.0-10.9 Violated in 20 structures by 0.33 A. Peak 6891 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.80: HG2 LYS 53 + H VAL 54 OK 64 100 65 99 4.5-5.1 3.0/6887=67, 3.9/6886=60...(18) HG3 LYS 53 + H VAL 54 OK 44 99 45 99 4.2-5.6 3.0/6887=67, 3.9/6886=60...(18) ! HD2 LYS 53 - H VAL 54 far 10 100 10 - 4.6-6.8 HG13 ILE 52 - H VAL 54 far 5 100 5 - 4.5-6.8 HG13 ILE 76 - H VAL 54 far 0 88 0 - 8.2-9.5 HB2 LEU 38 - H VAL 54 far 0 100 0 - 9.9-13.0 QB ALA 22 - H VAL 54 far 0 87 0 - 10.0-10.9 Violated in 20 structures by 0.33 A. Peak 6892 from nnoeabs.peaks (1.55, 8.49, 120.76 ppm; 5.42 A): 4 out of 9 assignments used, quality = 1.00: * HD3 LYS 53 + H VAL 54 OK 100 100 100 100 4.4-6.2 3.6/6887=89...(12) HG12 ILE 56 + H VAL 54 OK 46 91 65 78 5.9-8.3 9689/11101=24...(10) HG2 ARG 79 + H VAL 54 OK 33 94 45 79 3.1-7.8 9689/11101=21...(14) HG3 ARG 79 + H VAL 54 OK 25 95 35 75 4.6-7.6 9689/11101=27...(11) HB2 LEU 3 - H VAL 54 far 10 100 10 - 5.4-8.2 HG LEU 6 - H VAL 54 far 0 82 0 - 6.6-8.5 HG LEU 2 - H VAL 54 far 0 63 0 - 7.4-9.9 HB3 GLU 28 - H VAL 54 far 0 99 0 - 9.2-10.6 HG LEU 103 - H VAL 54 far 0 77 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 6895 from nnoeabs.peaks (5.16, 8.49, 120.76 ppm; 3.58 A): 2 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 64 71 100 90 1.9-2.7 10348/6896=31, 3477=30...(14) HA LEU 3 - H VAL 54 far 0 75 0 - 5.3-5.9 HA TYR 4 - H VAL 54 far 0 96 0 - 7.0-7.3 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 2.6-3.0 3.9=63, 2.1/6897=60...(14) HG LEU 42 - H VAL 54 far 0 99 0 - 7.6-9.1 HB VAL 5 - H VAL 54 far 0 87 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 6897 from nnoeabs.peaks (0.65, 8.49, 120.76 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.99: * QG2 VAL 54 + H VAL 54 OK 99 100 100 99 2.1-3.1 2.1/6896=71, 4.0=66...(16) QD1 ILE 52 - H VAL 54 far 0 57 0 - 4.8-6.7 QD2 LEU 6 - H VAL 54 far 0 73 0 - 6.8-9.1 QD1 LEU 42 - H VAL 54 far 0 70 0 - 7.0-8.5 QD1 LEU 29 - H VAL 54 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6898 from nnoeabs.peaks (0.76, 8.49, 120.76 ppm; 3.46 A): 3 out of 14 assignments used, quality = 1.00: * QG1 VAL 54 + H VAL 54 OK 99 100 100 99 3.8-4.0 2.1/6896=70, 2.1/6897=66...(11) QG1 VAL 78 + H VAL 54 OK 85 96 95 94 3.1-4.4 3.2/11101=48...(15) QG2 ILE 52 + H VAL 54 OK 54 95 80 71 3.5-5.8 9199/6886=25, 2357=17...(10) QD2 LEU 42 - H VAL 54 far 0 100 0 - 4.7-6.2 QD1 LEU 6 - H VAL 54 far 0 99 0 - 5.9-7.1 QD1 ILE 76 - H VAL 54 far 0 59 0 - 6.5-8.0 QG1 VAL 5 - H VAL 54 far 0 68 0 - 6.8-7.8 QD1 LEU 27 - H VAL 54 far 0 100 0 - 7.5-8.6 QD2 LEU 57 - H VAL 54 far 0 70 0 - 7.5-8.4 QD2 LEU 27 - H VAL 54 far 0 73 0 - 7.8-8.7 HG3 ARG 81 - H VAL 54 far 0 90 0 - 8.6-12.4 QG2 ILE 93 - H VAL 54 far 0 99 0 - 8.9-10.0 QD1 ILE 93 - H VAL 54 far 0 99 0 - 9.2-11.3 QD1 LEU 64 - H VAL 54 far 0 92 0 - 9.9-10.9 Violated in 1 structures by 0.00 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 4.1-4.6 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 5 assignments used, quality = 1.00: * H VAL 54 + H LEU 55 OK 100 100 100 100 4.1-4.6 3.0/6902=88, 4.6=86...(12) H ARG 79 + H LEU 55 OK 96 99 100 97 4.3-4.9 11117/2.9=74...(10) H LYS 53 - H LEU 55 far 0 88 0 - 6.4-7.0 H ILE 7 - H LEU 55 far 0 73 0 - 7.2-8.1 H LEU 29 - H LEU 55 far 0 59 0 - 8.5-9.3 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, 3.2/6904=29...(13) HA TYR 4 - H LEU 55 far 0 96 0 - 4.9-5.5 HA VAL 78 - H LEU 55 far 0 71 0 - 5.0-5.7 HA LEU 3 - H LEU 55 far 0 75 0 - 5.7-6.8 HA ILE 7 - H LEU 55 far 0 81 0 - 7.5-8.5 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 3.6-4.4 4.5=93, 3.0/6902=87...(10) HB VAL 5 + H LEU 55 OK 86 87 100 99 4.7-5.1 3.0/9295=81...(10) HG LEU 42 - H LEU 55 far 0 99 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 6904 from nnoeabs.peaks (0.65, 8.64, 131.90 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 54 + H LEU 55 OK 100 100 100 100 3.9-4.3 4.1=89, 3.2/6902=74...(14) QD2 LEU 6 - H LEU 55 far 11 73 15 - 4.4-6.9 QD1 LEU 29 - H LEU 55 far 0 100 0 - 6.1-7.1 QD1 ILE 52 - H LEU 55 far 0 57 0 - 7.0-8.6 QD2 LEU 29 - H LEU 55 far 0 98 0 - 7.2-8.6 QD1 LEU 42 - H LEU 55 far 0 70 0 - 7.5-9.2 QD1 ILE 7 - H LEU 55 far 0 70 0 - 8.1-9.4 QG2 VAL 58 - H LEU 55 far 0 91 0 - 9.5-10.4 Violated in 14 structures by 0.13 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 1.9-3.0 2504=50, 3.2/6902=50...(20) QG1 VAL 5 + H LEU 55 OK 59 68 95 92 3.0-4.1 3.2/9295=44...(16) QG1 VAL 78 - H LEU 55 poor 15 96 25 63 3.7-6.7 2502/6904=15...(12) QD1 LEU 6 - H LEU 55 far 0 99 0 - 4.2-5.8 QD2 LEU 57 - H LEU 55 far 0 70 0 - 4.4-5.3 QD1 LEU 27 - H LEU 55 far 0 100 0 - 5.2-6.8 QD2 LEU 42 - H LEU 55 far 0 100 0 - 5.3-7.4 QD1 ILE 93 - H LEU 55 far 0 99 0 - 5.8-7.8 QG2 ILE 93 - H LEU 55 far 0 99 0 - 6.1-7.2 HG13 ILE 93 - H LEU 55 far 0 94 0 - 6.5-9.3 QG2 ILE 52 - H LEU 55 far 0 95 0 - 6.6-8.7 QD2 LEU 27 - H LEU 55 far 0 73 0 - 6.7-7.8 HG3 ARG 81 - H LEU 55 far 0 90 0 - 7.4-10.5 QG2 ILE 7 - H LEU 55 far 0 63 0 - 8.2-8.9 QD1 ILE 76 - H LEU 55 far 0 59 0 - 8.6-9.7 QD1 LEU 64 - H LEU 55 far 0 92 0 - 9.3-10.1 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 - 8.4-10.0 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 2.7-3.4 3.9=97, 1.8/6908=81...(16) 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 2.2-2.7 3.9=78, 1.8/6907=65...(15) HG12 ILE 52 - H LEU 55 far 0 97 0 - 7.1-10.6 HB3 ARG 81 - H LEU 55 far 0 77 0 - 7.7-10.3 QG1 VAL 83 - H LEU 55 far 0 95 0 - 8.9-9.9 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 99 100 100 99 4.0-4.6 3.0/6908=61, 3.0/6907=57...(14) QG2 VAL 5 + H LEU 55 OK 93 94 100 100 2.5-3.5 3.2/9295=62, 12108=51...(17) QG2 THR 80 - H LEU 55 far 0 96 0 - 7.2-7.9 HB2 ARG 81 - H LEU 55 far 0 73 0 - 8.4-10.4 QG2 VAL 83 - H LEU 55 far 0 100 0 - 9.6-10.4 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 4.1-4.6 2537=100, 2538/2.9=88...(18) QD1 LEU 3 - H LEU 55 far 0 82 0 - 6.4-7.6 HG2 ARG 81 - H LEU 55 far 0 99 0 - 7.1-10.6 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 3.9-4.4 4.8=80, 3.1/6908=77...(13) 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 4.1-4.4 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 4.1-4.4 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 2.1-2.2 2512=88, 2538/6919=41...(18) HA LYS 82 - H ILE 56 far 0 75 0 - 7.2-8.7 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 4.0-4.5 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): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + H ILE 56 OK 100 100 100 100 4.1-4.5 4.5=87, 3.0/6915=81...(12) HB3 ARG 81 - H ILE 56 poor 19 77 25 - 4.7-7.1 QG1 VAL 83 - H ILE 56 far 0 95 0 - 6.9-8.1 HG2 LYS 82 - H ILE 56 far 0 68 0 - 9.6-11.0 Violated in 19 structures by 0.14 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 99 100 100 99 2.7-4.1 2.1/6919=78, 3.7/6915=57...(14) QG2 THR 80 + H ILE 56 OK 95 96 100 100 3.7-4.4 10914=62, 3.2/9299=55...(15) QG2 VAL 5 - H ILE 56 far 0 94 0 - 5.3-6.5 HB2 ARG 81 - H ILE 56 far 0 73 0 - 5.4-7.6 QG2 VAL 83 - H ILE 56 far 0 100 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 6919 from nnoeabs.peaks (0.44, 9.19, 126.37 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + H ILE 56 OK 100 100 100 100 2.2-3.5 2544=95, 2538/6915=50...(21) HG2 ARG 81 - H ILE 56 far 5 99 5 - 4.0-7.9 QD1 LEU 3 - H ILE 56 far 0 82 0 - 9.4-10.7 Violated in 5 structures by 0.02 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 4.2-5.0 2.1/6919=99, 4.0/6915=78...(10) Violated in 10 structures by 0.04 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 - 10.0-10.9 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 2.5-3.0 3.8=75, 2.9/6924=42...(13) HB VAL 78 - H ILE 56 far 5 95 5 - 4.0-6.1 HD2 ARG 81 - H ILE 56 far 0 61 0 - 5.3-8.1 HB3 LYS 82 - H ILE 56 far 0 100 0 - 9.4-10.9 HB3 GLU 63 - H ILE 56 far 0 96 0 - 10.0-10.8 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 3.8-3.9 4.0=100 QD1 ILE 7 - H ILE 56 far 0 91 0 - 7.7-8.8 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 8 assignments used, quality = 1.00: * HG12 ILE 56 + H ILE 56 OK 100 100 100 100 1.9-4.3 2.9/6922=61, 2577=51...(20) HG2 ARG 79 + H ILE 56 OK 21 100 25 83 3.2-7.1 4.7/9697=30...(11) HG3 ARG 79 - H ILE 56 far 0 100 0 - 4.7-6.8 HG LEU 6 - H ILE 56 far 0 100 0 - 4.9-7.5 HG LEU 57 - H ILE 56 far 0 77 0 - 6.3-6.9 HB ILE 7 - H ILE 56 far 0 99 0 - 7.9-8.6 HB2 LEU 3 - H ILE 56 far 0 90 0 - 9.1-11.5 HD3 LYS 53 - H ILE 56 far 0 91 0 - 9.3-11.1 Violated in 1 structures by 0.00 A. Peak 6925 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.34 A): 3 out of 17 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 56 OK 98 100 100 98 2.0-3.9 1.8/6924=51, 2.9/6922=50...(14) QD1 ILE 56 + H ILE 56 OK 96 100 100 96 2.4-3.8 2.1/6924=47, 3.2/6922=46...(15) QG2 VAL 78 + H ILE 56 OK 56 100 70 81 2.7-6.1 4.3/9697=27...(17) QG1 VAL 78 - H ILE 56 poor 19 75 25 - 3.1-6.1 QG1 VAL 5 - H ILE 56 far 0 98 0 - 4.6-5.1 HG3 ARG 81 - H ILE 56 far 0 85 0 - 5.1-7.8 QG1 VAL 58 - H ILE 56 far 0 100 0 - 5.6-6.1 QD1 ILE 8 - H ILE 56 far 0 100 0 - 5.6-7.4 QD1 LEU 64 - H ILE 56 far 0 82 0 - 5.8-6.6 QD2 LEU 6 - H ILE 56 far 0 81 0 - 6.1-7.7 QG2 VAL 58 - H ILE 56 far 0 59 0 - 6.2-7.3 QD1 LEU 42 - H ILE 56 far 0 84 0 - 6.9-8.6 HG13 ILE 93 - H ILE 56 far 0 79 0 - 7.7-10.4 QG2 ILE 93 - H ILE 56 far 0 65 0 - 8.0-9.2 QD2 LEU 14 - H ILE 56 far 0 100 0 - 9.2-10.0 QD1 ILE 52 - H ILE 56 far 0 92 0 - 9.8-10.9 QD2 LEU 27 - H ILE 56 far 0 96 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 6926 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.51 A): 3 out of 16 assignments used, quality = 1.00: HG13 ILE 56 + H ILE 56 OK 98 100 100 99 2.0-3.9 1.8/6924=56, 2.9/6922=55...(14) * QD1 ILE 56 + H ILE 56 OK 98 100 100 98 2.4-3.8 2.1/6924=52, 3.2/6922=51...(15) QG2 VAL 78 + H ILE 56 OK 57 97 70 83 2.7-6.1 4.3/9697=30, 3.2/9300=21...(17) QG1 VAL 78 - H ILE 56 poor 15 61 25 - 3.1-6.1 QG1 VAL 5 - H ILE 56 far 0 93 0 - 4.6-5.1 HG3 ARG 81 - H ILE 56 far 0 73 0 - 5.1-7.8 QG1 VAL 58 - H ILE 56 far 0 98 0 - 5.6-6.1 QD1 ILE 8 - H ILE 56 far 0 100 0 - 5.6-7.4 QD1 LEU 64 - H ILE 56 far 0 70 0 - 5.8-6.6 QD2 LEU 6 - H ILE 56 far 0 91 0 - 6.1-7.7 QG2 VAL 58 - H ILE 56 far 0 73 0 - 6.2-7.3 QD1 LEU 42 - H ILE 56 far 0 93 0 - 6.9-8.6 HG13 ILE 93 - H ILE 56 far 0 65 0 - 7.7-10.4 QD2 LEU 14 - H ILE 56 far 0 100 0 - 9.2-10.0 QD1 ILE 52 - H ILE 56 far 0 98 0 - 9.8-10.9 QD2 LEU 27 - H ILE 56 far 0 90 0 - 9.8-11.2 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 4.1-4.6 4.5=100 H VAL 5 - H ILE 56 far 0 99 0 - 7.6-8.3 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 1 assignment used, quality = 1.00: * H ILE 56 + H LEU 57 OK 100 100 100 100 4.1-4.6 4.5=100 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, 3.2/6932=38...(14) HA THR 31 - H LEU 57 far 0 99 0 - 6.6-7.4 HA ARG 30 - H LEU 57 far 0 75 0 - 9.3-9.8 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 7 assignments used, quality = 1.00: * HB ILE 56 + H LEU 57 OK 100 100 100 100 3.7-4.3 2.1/6932=85, 3.0/6930=79...(14) HB3 GLU 63 - H LEU 57 far 0 96 0 - 7.7-8.7 HD2 ARG 81 - H LEU 57 far 0 61 0 - 7.8-10.2 HB VAL 78 - H LEU 57 far 0 95 0 - 7.9-9.6 HB3 LYS 82 - H LEU 57 far 0 100 0 - 8.9-9.8 HG3 ARG 19 - H LEU 57 far 0 100 0 - 9.8-13.1 HD2 LYS 90 - H LEU 57 far 0 87 0 - 9.9-14.0 Violated in 11 structures by 0.06 A. Peak 6932 from nnoeabs.peaks (0.60, 8.93, 126.55 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + H LEU 57 OK 100 100 100 100 2.2-3.4 2576=82, 3.2/6930=56...(25) QD1 ILE 7 - H LEU 57 far 0 91 0 - 4.4-5.5 Violated in 1 structures by 0.00 A. Peak 6933 from nnoeabs.peaks (1.53, 8.93, 126.55 ppm; 3.78 A): 2 out of 8 assignments used, quality = 0.98: HB ILE 7 + H LEU 57 OK 93 99 95 99 4.1-4.8 3.0/9332=60...(14) HG LEU 57 + H LEU 57 OK 77 77 100 99 4.0-4.4 3.0/6938=61, 2.1/2641=56...(15) ! HG12 ILE 56 - H LEU 57 far 10 100 10 - 4.5-5.3 HG LEU 6 - H LEU 57 far 0 100 0 - 5.3-6.9 HG2 ARG 79 - H LEU 57 far 0 100 0 - 7.2-10.7 HG3 ARG 79 - H LEU 57 far 0 100 0 - 8.2-10.8 HB2 LEU 14 - H LEU 57 far 0 99 0 - 9.4-11.5 HD3 LYS 82 - H LEU 57 far 0 68 0 - 9.7-11.2 Violated in 16 structures by 0.05 A. Peak 6934 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 3.40 A): 3 out of 16 assignments used, quality = 0.99: QG1 VAL 58 + H LEU 57 OK 92 100 100 93 3.7-4.2 10706/3.0=37...(15) QG1 VAL 5 + H LEU 57 OK 64 98 80 82 3.5-4.5 178/9333=32, 173=26...(16) QD1 ILE 8 + H LEU 57 OK 59 100 75 78 3.3-5.3 8313/6932=25...(15) QD1 ILE 56 - H LEU 57 far 10 100 10 - 3.6-5.6 ! HG13 ILE 56 - H LEU 57 far 5 100 5 - 4.2-5.4 QG2 VAL 58 - H LEU 57 far 0 59 0 - 5.1-5.7 QD2 LEU 6 - H LEU 57 far 0 81 0 - 5.5-6.2 QD2 LEU 14 - H LEU 57 far 0 100 0 - 5.7-6.7 QG1 VAL 78 - H LEU 57 far 0 75 0 - 6.1-9.2 QG2 VAL 78 - H LEU 57 far 0 100 0 - 6.2-8.6 HG13 ILE 93 - H LEU 57 far 0 79 0 - 6.6-8.8 HG3 ARG 81 - H LEU 57 far 0 85 0 - 6.6-9.1 QD1 LEU 64 - H LEU 57 far 0 82 0 - 6.7-7.5 QD1 LEU 14 - H LEU 57 far 0 63 0 - 7.4-8.8 QG2 ILE 93 - H LEU 57 far 0 65 0 - 7.5-8.8 QD1 LEU 42 - H LEU 57 far 0 84 0 - 7.6-9.7 Violated in 3 structures by 0.01 A. Peak 6935 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 3.50 A): 3 out of 15 assignments used, quality = 0.99: QG1 VAL 58 + H LEU 57 OK 91 98 100 93 3.7-4.2 10706/3.0=38...(15) QG1 VAL 5 + H LEU 57 OK 72 93 95 82 3.5-4.5 178/9333=31, 173=26...(16) QD1 ILE 8 + H LEU 57 OK 61 100 75 81 3.3-5.3 8313/6932=26...(15) ! QD1 ILE 56 - H LEU 57 far 10 100 10 - 3.6-5.6 HG13 ILE 56 - H LEU 57 far 5 100 5 - 4.2-5.4 QG2 VAL 58 - H LEU 57 far 0 73 0 - 5.1-5.7 QD2 LEU 6 - H LEU 57 far 0 91 0 - 5.5-6.2 QD2 LEU 14 - H LEU 57 far 0 100 0 - 5.7-6.7 QG1 VAL 78 - H LEU 57 far 0 61 0 - 6.1-9.2 QG2 VAL 78 - H LEU 57 far 0 97 0 - 6.2-8.6 HG13 ILE 93 - H LEU 57 far 0 65 0 - 6.6-8.8 HG3 ARG 81 - H LEU 57 far 0 73 0 - 6.6-9.1 QD1 LEU 64 - H LEU 57 far 0 70 0 - 6.7-7.5 QD1 LEU 14 - H LEU 57 far 0 77 0 - 7.4-8.8 QD1 LEU 42 - H LEU 57 far 0 93 0 - 7.6-9.7 Violated in 1 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...(19) HB2 LEU 6 + H LEU 57 OK 68 96 75 95 3.7-5.1 8235/6932=41...(15) QB ALA 18 - H LEU 57 far 0 73 0 - 5.7-6.4 HB2 LEU 29 - H LEU 57 far 0 65 0 - 8.4-9.6 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 5 assignments used, quality = 1.00: * HB3 LEU 57 + H LEU 57 OK 100 100 100 100 2.3-2.7 3.9=74, 3.1/2641=41...(26) HB VAL 5 - H LEU 57 far 0 63 0 - 6.6-7.4 HB ILE 93 - H LEU 57 far 0 91 0 - 8.9-10.6 HB2 GLU 88 - H LEU 57 far 0 96 0 - 9.7-10.6 HB2 LYS 68 - H LEU 57 far 0 97 0 - 9.9-12.3 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 9 assignments used, quality = 1.00: * HG LEU 57 + H LEU 57 OK 99 100 100 99 4.0-4.4 3.0/6938=54, 2.1/2641=49...(15) HB ILE 7 + H LEU 57 OK 61 91 70 96 4.1-4.8 3.0/9332=53, 2.9/8246=31...(14) HG12 ILE 56 - H LEU 57 far 0 77 0 - 4.5-5.3 HG LEU 6 - H LEU 57 far 0 87 0 - 5.3-6.9 HG2 ARG 79 - H LEU 57 far 0 71 0 - 7.2-10.7 HB3 LEU 64 - H LEU 57 far 0 99 0 - 7.4-8.3 HG3 ARG 79 - H LEU 57 far 0 70 0 - 8.2-10.8 HB2 LEU 14 - H LEU 57 far 0 91 0 - 9.4-11.5 HG LEU 64 - H LEU 57 far 0 91 0 - 9.8-10.7 Violated in 20 structures by 0.28 A. Peak 6940 from nnoeabs.peaks (0.80, 8.93, 126.55 ppm; 3.47 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 57 + H LEU 57 OK 99 100 100 99 2.1-2.9 3.1/6938=50, 2.1/2641=47...(22) QD1 LEU 57 + H LEU 57 OK 47 73 65 98 3.1-4.5 3.1/6938=50, 4.6=44...(15) QD2 LEU 38 - H LEU 57 far 0 82 0 - 4.7-7.8 QG2 ILE 7 - H LEU 57 far 0 100 0 - 4.9-5.3 QG2 VAL 32 - H LEU 57 far 0 65 0 - 5.3-6.3 QD1 LEU 6 - H LEU 57 far 0 85 0 - 5.3-6.3 QD1 ILE 93 - H LEU 57 far 0 84 0 - 5.4-6.8 QG1 VAL 54 - H LEU 57 far 0 70 0 - 5.5-6.2 QG2 ILE 8 - H LEU 57 far 0 99 0 - 6.0-6.5 QD2 LEU 42 - H LEU 57 far 0 79 0 - 7.2-9.3 QD1 ILE 15 - H LEU 57 far 0 65 0 - 7.3-8.7 QG2 ILE 15 - H LEU 57 far 0 97 0 - 7.6-8.9 QD1 LEU 70 - H LEU 57 far 0 92 0 - 8.4-12.5 QD1 LEU 27 - H LEU 57 far 0 82 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 6941 from nnoeabs.peaks (0.83, 8.93, 126.55 ppm; 3.65 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 57 + H LEU 57 OK 100 100 100 100 3.1-4.5 2642/3.0=65, 2641=60...(15) QD2 LEU 57 + H LEU 57 OK 73 73 100 100 2.1-2.9 3.1/6938=55, 2.1/2641=52...(22) QD2 LEU 38 - H LEU 57 far 0 100 0 - 4.7-7.8 QD1 LEU 38 - H LEU 57 far 0 71 0 - 4.8-8.6 QG2 ILE 7 - H LEU 57 far 0 79 0 - 4.9-5.3 QG2 VAL 32 - H LEU 57 far 0 100 0 - 5.3-6.3 QG2 ILE 15 - H LEU 57 far 0 94 0 - 7.6-8.9 QD2 LEU 64 - H LEU 57 far 0 68 0 - 8.3-9.2 QD1 LEU 70 - H LEU 57 far 0 98 0 - 8.4-12.5 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 4.2-4.5 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 4.2-4.5 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 2.1-2.2 2608=77, 2642/2648=31...(18) 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 3.3-3.6 2.9/6945=82, 4.6=68...(16) HB2 LEU 6 - H VAL 58 far 0 96 0 - 7.5-8.7 QB ALA 18 - H VAL 58 far 0 73 0 - 7.7-8.2 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...(15) HB2 GLU 88 - H VAL 58 far 0 96 0 - 7.8-9.0 HB2 LYS 68 - H VAL 58 far 0 97 0 - 8.8-11.3 HB3 LYS 66 - H VAL 58 far 0 63 0 - 9.2-10.1 Violated in 9 structures by 0.03 A. Peak 6948 from nnoeabs.peaks (1.50, 8.54, 114.40 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 57 + H VAL 58 OK 100 100 100 100 5.2-5.5 2.1/2648=92, 3.0/6946=77...(11) HB3 LEU 64 + H VAL 58 OK 96 99 100 98 4.2-4.9 3.1/10755=53...(13) HB ILE 7 - H VAL 58 far 0 91 0 - 7.1-7.8 HG LEU 64 - H VAL 58 far 0 91 0 - 7.1-7.8 HG12 ILE 56 - H VAL 58 far 0 77 0 - 7.2-7.7 HG2 ARG 79 - H VAL 58 far 0 71 0 - 8.3-11.8 HG3 ARG 79 - H VAL 58 far 0 70 0 - 8.8-12.1 HG LEU 6 - H VAL 58 far 0 87 0 - 9.2-11.1 HB2 LEU 14 - H VAL 58 far 0 91 0 - 9.2-10.7 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 13 assignments used, quality = 0.85: QD1 LEU 57 + H VAL 58 OK 72 73 100 99 3.2-3.8 2648=57, 4.0/6945=51...(13) * QD2 LEU 57 + H VAL 58 OK 44 100 45 99 3.8-5.0 2.1/2648=65, 4.0/6945=51...(13) QG2 ILE 8 - H VAL 58 far 0 99 0 - 5.7-6.4 QD2 LEU 38 - H VAL 58 far 0 82 0 - 6.4-8.5 QG2 ILE 7 - H VAL 58 far 0 100 0 - 6.9-7.3 QD1 ILE 93 - H VAL 58 far 0 84 0 - 7.6-8.6 QG2 VAL 32 - H VAL 58 far 0 65 0 - 7.9-9.0 QD1 ILE 15 - H VAL 58 far 0 65 0 - 8.1-9.6 QD1 LEU 6 - H VAL 58 far 0 85 0 - 8.2-9.3 QG1 VAL 54 - H VAL 58 far 0 70 0 - 8.6-9.2 QD1 LEU 70 - H VAL 58 far 0 92 0 - 9.2-13.0 QG2 ILE 15 - H VAL 58 far 0 97 0 - 9.4-10.7 QD2 LEU 42 - H VAL 58 far 0 79 0 - 9.6-11.3 Violated in 1 structures by 0.00 A. Peak 6950 from nnoeabs.peaks (0.83, 8.54, 114.40 ppm; 3.64 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 57 + H VAL 58 OK 100 100 100 100 3.2-3.8 2648=86, 2642/6945=65...(14) QD2 LEU 57 + H VAL 58 OK 32 73 45 98 3.8-5.0 2.1/2648=64, 4.0/6945=50...(12) QD2 LEU 64 - H VAL 58 far 0 68 0 - 5.4-6.1 QD2 LEU 38 - H VAL 58 far 0 100 0 - 6.4-8.5 QD1 LEU 38 - H VAL 58 far 0 71 0 - 6.4-9.7 QG2 ILE 7 - H VAL 58 far 0 79 0 - 6.9-7.3 QG2 VAL 32 - H VAL 58 far 0 100 0 - 7.9-9.0 QD1 LEU 70 - H VAL 58 far 0 98 0 - 9.2-13.0 QG2 ILE 15 - H VAL 58 far 0 94 0 - 9.4-10.7 Violated in 2 structures by 0.00 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): 1 out of 10 assignments used, quality = 0.99: * QG2 VAL 58 + H VAL 58 OK 99 100 100 99 1.9-2.3 2661=76, 2.1/2667=47...(18) QD1 ILE 8 - H VAL 58 far 3 70 5 - 4.0-5.9 QD2 LEU 14 - H VAL 58 far 0 71 0 - 5.4-6.3 QD1 LEU 14 - H VAL 58 far 0 100 0 - 6.3-7.3 QD1 ILE 56 - H VAL 58 far 0 73 0 - 6.4-7.0 HG13 ILE 56 - H VAL 58 far 0 59 0 - 7.3-8.0 QD1 LEU 29 - H VAL 58 far 0 90 0 - 8.4-9.2 QD2 LEU 6 - H VAL 58 far 0 99 0 - 8.5-9.6 QD2 LEU 29 - H VAL 58 far 0 71 0 - 9.3-10.8 QD1 LEU 42 - H VAL 58 far 0 98 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 6954 from nnoeabs.peaks (0.72, 8.54, 114.40 ppm; 3.26 A): 1 out of 15 assignments used, quality = 0.98: * QG1 VAL 58 + H VAL 58 OK 98 100 100 98 2.5-3.1 2667=66, 2.1/2661=61...(17) QD1 ILE 8 - H VAL 58 far 5 99 5 - 4.0-5.9 QD1 LEU 64 - H VAL 58 far 0 91 0 - 4.4-5.2 HG3 ARG 81 - H VAL 58 far 0 93 0 - 4.7-7.8 QD2 LEU 14 - H VAL 58 far 0 98 0 - 5.4-6.3 QD1 ILE 56 - H VAL 58 far 0 98 0 - 6.4-7.0 QG1 VAL 5 - H VAL 58 far 0 100 0 - 6.7-7.7 HG13 ILE 56 - H VAL 58 far 0 100 0 - 7.3-8.0 QG2 VAL 78 - H VAL 58 far 0 100 0 - 7.6-11.1 QG1 VAL 78 - H VAL 58 far 0 85 0 - 8.1-10.8 QD1 ILE 15 - H VAL 58 far 0 59 0 - 8.1-9.6 QD2 LEU 6 - H VAL 58 far 0 70 0 - 8.5-9.6 HG13 ILE 93 - H VAL 58 far 0 88 0 - 8.7-11.3 HG13 ILE 15 - H VAL 58 far 0 70 0 - 9.2-10.1 QD1 LEU 42 - H VAL 58 far 0 73 0 - 9.8-11.3 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...(11) H ILE 8 + H VAL 58 OK 99 100 100 99 4.6-4.9 8298/3.0=70, 11112=46...(8) H ARG 81 + H VAL 58 OK 57 59 100 96 3.5-4.7 10926=49, 11122/6945=36...(16) 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): 1 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 far 0 68 0 - 6.3-6.5 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 2.3-2.6 3.6=73, 3.0/6959=48...(17) 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 = 1.00: * HB VAL 58 + H SER 59 OK 100 100 100 100 2.0-2.5 2660=70, 2.1/6961=58...(16) Violated in 0 structures by 0.00 A. Peak 6960 from nnoeabs.peaks (0.68, 8.80, 115.50 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 58 + H SER 59 OK 100 100 100 100 2.5-3.7 2.1/6959=75, 4.2=62...(18) QD1 ILE 8 - H SER 59 far 3 70 5 - 4.5-5.6 QD2 LEU 14 - H SER 59 far 0 71 0 - 4.9-6.4 QD1 LEU 14 - H SER 59 far 0 100 0 - 5.8-7.0 QD1 ILE 56 - H SER 59 far 0 73 0 - 8.6-9.5 QD2 LEU 6 - H SER 59 far 0 99 0 - 9.8-11.5 Violated in 1 structures by 0.00 A. Peak 6961 from nnoeabs.peaks (0.72, 8.80, 115.50 ppm; 3.57 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 58 + H SER 59 OK 100 100 100 100 3.4-3.8 2.1/6959=73, 4.2=60...(20) QD1 ILE 8 - H SER 59 far 0 99 0 - 4.5-5.6 QD2 LEU 14 - H SER 59 far 0 98 0 - 4.9-6.4 QD1 LEU 64 - H SER 59 far 0 91 0 - 6.7-7.4 QD1 ILE 15 - H SER 59 far 0 59 0 - 7.2-8.4 HG13 ILE 15 - H SER 59 far 0 70 0 - 8.5-10.1 QD1 ILE 56 - H SER 59 far 0 98 0 - 8.6-9.5 HG3 ARG 81 - H SER 59 far 0 93 0 - 8.7-12.1 QG1 VAL 5 - H SER 59 far 0 100 0 - 9.4-10.6 QD2 LEU 6 - H SER 59 far 0 70 0 - 9.8-11.5 Violated in 9 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 2.6-3.8 4.0=88, 1.8/6964=76...(8) HA GLU 62 - H SER 59 far 0 63 0 - 8.6-9.0 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 2.5-3.3 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 1.8-2.4 6967=100, 9410/6959=41...(15) H LEU 64 - H SER 59 far 0 98 0 - 4.9-5.8 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 1.8-2.4 6965=89, 6959/9410=38...(15) H ILE 8 - H ASN 60 far 0 100 0 - 6.6-7.4 H ARG 81 - H ASN 60 far 0 59 0 - 8.1-9.8 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 3.0-3.5 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 3.1-4.4 4.6=90, 1.8/6970=74...(8) HA GLU 62 - H ASN 60 far 0 63 0 - 7.0-7.5 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 3.6-4.5 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 3 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 - 7.4-8.6 HA THR 34 - H ASN 60 far 0 75 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 6972 from nnoeabs.peaks (2.89, 7.73, 117.52 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 60 + H ASN 60 OK 100 100 100 100 2.2-3.9 4.0=100 HE3 LYS 82 - H ASN 60 far 10 63 15 - 4.5-7.3 HB2 ASN 10 - H ASN 60 far 0 65 0 - 8.1-11.2 HE2 LYS 68 - H ASN 60 far 0 94 0 - 9.6-14.1 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 2.9-3.9 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 2.6-5.5 1.7/6975=88, 2692/3.0=85...(10) Violated in 4 structures by 0.01 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 3.8-5.0 6984=78, 1.7/6974=73...(8) Violated in 3 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 4.2-4.6 4.6=100 H VAL 58 + H ASN 60 OK 67 68 100 100 5.0-5.9 3.0/9422=86, 4.0/9410=80...(11) 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 2.6-5.5 6974=99, 6975/1.7=88...(10) H LEU 64 + HD21 ASN 60 OK 38 98 40 98 5.0-8.2 4.6/9427=53...(9) Violated in 1 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 3.3-4.3 4.5=100 HA THR 34 - HD21 ASN 60 far 0 75 0 - 8.6-12.2 HA VAL 83 - HD21 ASN 60 far 0 96 0 - 9.6-12.7 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 2.1-3.7 3.5=100 HB2 ASN 10 - HD21 ASN 60 far 0 65 0 - 6.3-9.6 HE3 LYS 82 - HD21 ASN 60 far 0 63 0 - 7.7-10.6 HE3 LYS 66 - HD21 ASN 60 far 0 99 0 - 10.0-13.2 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 2 assignments used, quality = 1.00: * HB3 ASN 60 + HD21 ASN 60 OK 100 100 100 100 3.0-4.1 3.5=100 HE3 LYS 33 - HD21 ASN 60 far 0 61 0 - 10.0-17.9 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 3.8-5.0 6975=100, 6974/1.7=84...(8) H LEU 64 - HD22 ASN 60 far 0 98 0 - 6.7-8.3 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 3 assignments used, quality = 1.00: * HA ASN 60 + HD22 ASN 60 OK 100 100 100 100 1.9-4.7 4.5=100 HA THR 34 - HD22 ASN 60 far 0 75 0 - 9.2-12.4 HA VAL 83 - HD22 ASN 60 far 0 96 0 - 10.0-12.8 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 2.1-3.5 3.5=100 HB2 ASN 10 - HD22 ASN 60 far 0 65 0 - 5.7-8.9 HE3 LYS 82 - HD22 ASN 60 far 0 63 0 - 8.0-11.0 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 3.2-4.1 3.5=100 Violated in 3 structures by 0.00 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 4.2-4.6 4.6=100 H LEU 64 + H ASP 61 OK 97 98 100 99 4.8-5.1 9441/3.0=83...(11) 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 2.2-2.4 3.6=74, 3.0/6993=42...(5) HA VAL 83 - H ASP 61 far 0 96 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 6992 from nnoeabs.peaks (2.89, 8.58, 119.43 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.99: * HB2 ASN 60 + H ASP 61 OK 99 100 100 99 2.6-4.3 1.8/6993=82, 2701=77...(6) HE3 LYS 82 - H ASP 61 poor 13 63 20 - 4.0-6.6 HE2 LYS 68 - H ASP 61 far 0 94 0 - 9.3-13.4 HE3 LYS 68 - H ASP 61 far 0 96 0 - 9.3-14.0 HE3 LYS 66 - H ASP 61 far 0 99 0 - 9.3-12.3 HE2 LYS 66 - H ASP 61 far 0 100 0 - 9.4-12.1 Violated in 10 structures by 0.07 A. Peak 6993 from nnoeabs.peaks (3.06, 8.58, 119.43 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 60 + H ASP 61 OK 98 100 100 98 2.5-3.8 2708=72, 1.8/6992=66...(7) Violated in 1 structures by 0.00 A. Peak 6996 from nnoeabs.peaks (4.37, 8.58, 119.43 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 61 + H ASP 61 OK 100 100 100 100 2.8-2.8 3.0=100 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 = 0.91: * HB2 ASP 61 + H ASP 61 OK 91 100 100 91 2.1-3.6 4.0=79, 4.4/7001=38...(6) HG3 GLU 63 - H ASP 61 far 0 100 0 - 5.2-6.5 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 2.2-3.6 4.0=100 HE2 LYS 82 + H ASP 61 OK 23 100 25 92 3.4-6.1 3.0/9443=44, 3.0/9444=43...(9) HB2 ASP 65 - H ASP 61 far 0 94 0 - 6.3-8.3 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 2.5-2.8 7001=100, 9454/6993=44...(11) H GLU 63 + H ASP 61 OK 79 91 100 87 3.9-4.6 4.5/7001=39, 9456/3.0=28...(10) 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 2.5-2.8 4.5=59, 6993/9454=43...(12) H VAL 58 - H GLU 62 far 0 68 0 - 9.1-9.7 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 3.4-3.6 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): 2 out of 2 assignments used, quality = 0.98: * HB2 ASP 61 + H GLU 62 OK 96 100 100 96 2.6-3.7 1.8/7004=63, 4.4=54...(11) HG3 GLU 63 + H GLU 62 OK 37 100 40 92 4.1-5.7 7023/4.5=35...(11) Violated in 0 structures by 0.00 A. Peak 7004 from nnoeabs.peaks (2.73, 8.40, 122.15 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.97: * HB3 ASP 61 + H GLU 62 OK 97 100 100 97 2.5-4.2 4.4=72, 1.8/7003=61...(9) HB2 ASP 65 - H GLU 62 far 5 94 5 - 4.6-6.4 HE2 LYS 82 - H GLU 62 far 0 100 0 - 4.8-7.9 Violated in 8 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 - 7.8-9.2 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 2.1-3.2 1.8/7007=73, 4.0=47...(12) Violated in 4 structures by 0.01 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 2.1-3.1 1.8/7006=63, 4.0=41...(13) HB2 LEU 64 - H GLU 62 far 0 87 0 - 4.8-5.4 HB3 GLU 35 - H GLU 62 far 0 99 0 - 8.8-12.3 HG2 GLU 69 - H GLU 62 far 0 61 0 - 9.5-10.7 Violated in 5 structures by 0.01 A. Peak 7008 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 3.45 A): 3 out of 3 assignments used, quality = 0.84: HG3 GLU 62 + H GLU 62 OK 59 100 60 98 3.7-4.4 2.9/7007=63, 2.9/7006=60...(12) * HG2 GLU 62 + H GLU 62 OK 39 100 40 98 3.7-4.6 2.9/7007=63, 2.9/7006=60...(11) HG2 GLU 63 + H GLU 62 OK 36 73 60 81 3.9-6.1 3.8/10741=25...(12) Violated in 19 structures by 0.10 A. Peak 7009 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 3.45 A): 3 out of 3 assignments used, quality = 0.84: * HG3 GLU 62 + H GLU 62 OK 59 100 60 98 3.7-4.4 2.9/7007=63, 2.9/7006=60...(12) HG2 GLU 62 + H GLU 62 OK 39 100 40 98 3.7-4.6 2.9/7007=63, 2.9/7006=60...(11) HG2 GLU 63 + H GLU 62 OK 36 73 60 81 3.9-6.1 3.8/10741=25...(12) Violated in 19 structures by 0.10 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 4.0-4.5 9470/3.6=58, 7027=51...(20) H ASN 60 + H GLU 62 OK 24 98 25 98 4.9-5.6 4.0/9454=48, 4.0/9453=45...(15) Violated in 1 structures by 0.01 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 3 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 - 6.8-8.3 HA MET 1 - H TYR 4 far 0 31 0 - 8.9-9.7 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 2.5-3.5 1.8/7016=53, 4.6=52...(10) QE MET 1 - H TYR 4 far 0 28 0 - 5.8-7.7 HG12 ILE 93 - H TYR 4 far 0 47 0 - 7.8-10.6 HB3 GLU 48 - H TYR 4 far 0 36 0 - 8.1-9.8 HB2 GLU 35 - H GLU 63 far 0 99 0 - 8.4-11.7 HB2 GLU 99 - H TYR 4 far 0 40 0 - 8.4-12.7 HB3 MET 1 - H TYR 4 far 0 54 0 - 8.8-10.5 HB2 GLU 44 - H TYR 4 far 0 53 0 - 9.3-12.4 HB3 GLU 99 - H TYR 4 far 0 47 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 7016 from nnoeabs.peaks (2.09, 8.38, 119.08 ppm; 3.70 A): 2 out of 8 assignments used, quality = 0.97: * HB3 GLU 62 + H GLU 63 OK 95 100 100 95 2.5-4.2 1.8/7015=73, 4.6=51...(10) HB2 LEU 64 + H GLU 63 OK 40 87 55 84 4.3-4.7 2810/4.6=30...(10) HG2 GLU 28 - H TYR 4 far 0 44 0 - 6.4-8.5 HG3 GLU 28 - H TYR 4 far 0 44 0 - 6.5-9.1 HB3 GLU 35 - H GLU 63 far 0 99 0 - 6.9-10.5 HG2 GLU 69 - H GLU 63 far 0 61 0 - 8.8-9.9 HB2 GLU 69 - H GLU 63 far 0 61 0 - 9.4-10.8 HB3 LEU 38 - H GLU 63 far 0 96 0 - 9.5-11.7 Violated in 6 structures by 0.02 A. Peak 7017 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.62 A): 4 out of 5 assignments used, quality = 0.94: HG2 GLU 63 + H GLU 63 OK 73 73 100 100 1.9-3.8 1.8/7023=76, 3.0/2772=57...(15) HG3 GLU 62 + H GLU 63 OK 40 100 45 88 3.2-5.3 2.9/7015=54, 2.9/7016=38...(9) * HG2 GLU 62 + H GLU 63 OK 40 100 45 88 2.8-5.1 2.9/7015=54, 2.9/7016=38...(9) HB2 TYR 4 + H TYR 4 OK 39 40 100 97 2.6-3.9 3.8=88, 6048/4.6=18...(11) HB2 GLU 48 - H TYR 4 far 0 32 0 - 8.9-10.5 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 5 assignments used, quality = 0.94: HG2 GLU 63 + H GLU 63 OK 73 73 100 100 1.9-3.8 1.8/7023=76, 3.0/2772=57...(15) * HG3 GLU 62 + H GLU 63 OK 40 100 45 88 3.2-5.3 2.9/7015=54, 2.9/7016=38...(9) HG2 GLU 62 + H GLU 63 OK 40 100 45 88 2.8-5.1 2.9/7015=54, 2.9/7016=38...(9) HB2 TYR 4 + H TYR 4 OK 39 40 100 97 2.6-3.9 3.8=88, 6048/4.6=18...(11) HB2 GLU 48 - H TYR 4 far 0 32 0 - 8.9-10.5 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 5 assignments used, quality = 1.00: * HA GLU 63 + H GLU 63 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 SER 97 - H TYR 4 far 0 31 0 - 8.0-9.7 HA GLU 35 - H GLU 63 far 0 82 0 - 8.1-10.8 HA3 GLY 101 - H TYR 4 far 0 48 0 - 8.1-13.4 HB3 SER 9 - H GLU 63 far 0 98 0 - 9.2-11.7 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 5 assignments used, quality = 1.00: * HB2 GLU 63 + H GLU 63 OK 100 100 100 100 3.6-3.6 2772=100, 1.8/7021=63...(12) HG2 MET 1 - H TYR 4 far 0 58 0 - 7.2-8.9 HG2 GLU 35 - H GLU 63 far 0 100 0 - 8.4-13.3 HG2 GLU 99 - H TYR 4 far 0 45 0 - 9.1-13.8 HG3 GLU 35 - H GLU 63 far 0 100 0 - 9.3-12.8 Violated in 20 structures by 0.04 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 2.4-2.8 4.0=88, 1.8/2772=84...(17) HB2 GLU 28 - H TYR 4 far 0 31 0 - 5.9-7.8 HB2 LYS 66 - H GLU 63 far 0 98 0 - 6.4-7.4 HB VAL 78 - H TYR 4 far 0 58 0 - 6.7-9.5 HB3 LYS 82 - H GLU 63 far 0 97 0 - 7.5-8.7 HB ILE 56 - H GLU 63 far 0 96 0 - 9.5-10.3 HB ILE 56 - H TYR 4 far 0 53 0 - 9.9-11.0 HB ILE 93 - H TYR 4 far 0 44 0 - 9.9-11.3 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 7 assignments used, quality = 1.00: * HG2 GLU 63 + H GLU 63 OK 100 100 100 100 1.9-3.8 1.8/7023=74, 3.0/2772=55...(16) HB2 TYR 4 + H TYR 4 OK 56 58 100 97 2.6-3.9 3.8=83, 6048/4.6=28...(11) HG2 GLU 62 + H GLU 63 OK 28 73 45 85 2.8-5.1 2.9/7015=52, 2.9/7016=37...(8) HG3 GLU 62 + H GLU 63 OK 25 73 40 85 3.2-5.3 2.9/7015=52, 2.9/7016=37...(8) HG2 GLU 48 - H TYR 4 far 0 29 0 - 8.1-11.8 HB2 GLU 48 - H TYR 4 far 0 58 0 - 8.9-10.5 HB2 TYR 41 - H TYR 4 far 0 49 0 - 8.9-10.5 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 1.9-3.5 2793=68, 3.0/2772=54...(16) HB2 ASP 61 - H GLU 63 far 0 100 0 - 4.9-6.0 Violated in 4 structures by 0.00 A. Peak 7024 from nnoeabs.peaks (7.72, 8.38, 119.08 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + H GLU 63 OK 98 100 100 98 2.5-2.8 7029=52, 7031/2772=39...(19) H ASN 60 + H GLU 63 OK 94 98 100 96 3.9-4.2 9413/2772=39...(17) H VAL 78 - H TYR 4 far 0 30 0 - 9.1-9.8 H SER 49 - H TYR 4 far 0 57 0 - 9.5-11.6 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...(16) H GLU 69 - H GLU 63 far 0 94 0 - 9.0-9.7 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 = 0.99: * H GLU 62 + H LEU 64 OK 92 100 95 97 4.0-4.5 7011=47, 3.6/9470=40...(20) H GLU 63 + H LEU 64 OK 88 91 100 98 2.5-2.8 7024=44, 2772/7031=37...(20) H THR 80 - H LEU 64 far 0 99 0 - 9.3-10.3 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...(9) HB2 SER 59 - H LEU 64 far 0 63 0 - 7.3-8.6 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 98 100 100 98 2.5-2.8 7024=51, 2772/7031=40...(19) H GLU 62 + H LEU 64 OK 82 91 95 95 4.0-4.5 3.6/9470=39, 7011=39...(19) H THR 80 - H LEU 64 far 0 73 0 - 9.3-10.3 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 6 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 94 3.8-4.4 3.6/6565=61...(11) HA TYR 41 - H GLU 37 far 0 39 0 - 8.4-9.3 HA GLU 35 - H LEU 64 far 0 82 0 - 8.5-11.0 HA GLU 63 - H GLU 37 far 0 43 0 - 9.3-11.9 HB3 SER 9 - H LEU 64 far 0 98 0 - 9.4-11.9 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 7 assignments used, quality = 0.98: * HB2 GLU 63 + H LEU 64 OK 98 100 100 98 3.4-3.8 1.8/7032=66, 4.6=57...(9) HG3 GLU 35 - H GLU 37 far 0 43 0 - 4.8-6.6 HG2 GLU 35 - H GLU 37 far 0 43 0 - 4.8-6.6 HG2 GLU 35 - H LEU 64 far 0 100 0 - 8.5-13.6 HG2 GLU 43 - H GLU 37 far 0 41 0 - 9.0-10.6 HB2 GLU 63 - H GLU 37 far 0 43 0 - 9.6-11.6 HG3 GLU 35 - H LEU 64 far 0 100 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 7032 from nnoeabs.peaks (1.78, 7.72, 120.36 ppm; 4.15 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 63 + H LEU 64 OK 100 100 100 100 2.3-2.8 1.8/7031=84, 4.6=72...(17) HB2 LYS 39 - H GLU 37 poor 7 35 20 - 4.7-5.7 HB3 LYS 82 - H LEU 64 far 0 97 0 - 5.5-6.8 HB2 LYS 66 - H LEU 64 far 0 98 0 - 6.3-7.4 HB ILE 56 - H LEU 64 far 0 96 0 - 7.4-8.3 HB2 LYS 66 - H GLU 37 far 0 40 0 - 7.8-10.8 HB2 LEU 42 - H GLU 37 far 0 28 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 7033 from nnoeabs.peaks (2.29, 7.72, 120.36 ppm; 4.67 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 63 + H LEU 64 OK 100 100 100 100 3.7-5.2 3.0/7031=79, 3.0/7032=74...(13) HG2 GLU 37 + H GLU 37 OK 21 21 100 100 2.7-3.5 5.0=84, 1.8/1608=77...(13) HG3 GLU 62 - H LEU 64 poor 18 73 25 - 5.2-7.2 HG2 GLU 62 - H LEU 64 far 11 73 15 - 5.1-6.7 HB2 TYR 41 - H GLU 37 far 0 36 0 - 7.1-8.9 HG3 GLU 43 - H GLU 37 far 0 30 0 - 8.8-11.4 HD3 ARG 81 - H LEU 64 far 0 98 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 7034 from nnoeabs.peaks (2.52, 7.72, 120.36 ppm; 4.63 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLU 63 + H LEU 64 OK 100 100 100 100 4.0-4.9 3.0/7031=78, 3.0/7032=73...(13) HB3 ASP 36 + H GLU 37 OK 41 41 100 100 2.4-4.2 4.0=100 HB2 ASP 36 + H GLU 37 OK 41 41 100 100 2.5-4.3 4.0=100 HB2 ASP 61 - H LEU 64 far 15 100 15 - 5.3-6.1 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 2.8-2.9 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 9 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 100 100 100 100 2.1-2.3 1.8/7037=76, 2810=75...(25) HG3 GLU 37 + H GLU 37 OK 42 42 100 99 1.9-2.5 1608=48, 1.8/1601=47...(17) HB3 GLU 37 + H GLU 37 OK 38 39 100 98 3.6-3.6 1594=55, 1.8/1587=44...(14) HB3 GLU 62 - H LEU 64 far 0 87 0 - 4.9-6.1 HB3 GLU 35 - H GLU 37 far 0 25 0 - 5.5-6.0 HB3 GLU 35 - H LEU 64 far 0 73 0 - 7.8-11.0 HG2 GLU 69 - H LEU 64 far 0 97 0 - 8.0-8.5 HB2 GLU 69 - H LEU 64 far 0 97 0 - 8.6-9.8 HG2 GLU 44 - H GLU 37 far 0 34 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 7037 from nnoeabs.peaks (1.49, 7.72, 120.36 ppm; 3.10 A): 1 out of 14 assignments used, quality = 0.99: * HB3 LEU 64 + H LEU 64 OK 99 100 100 99 2.8-3.2 2818=64, 1.8/2810=54...(23) HG LEU 64 - H LEU 64 far 15 99 15 - 4.0-4.3 HG LEU 38 - H GLU 37 far 3 26 10 - 3.6-7.1 HB2 LEU 38 - H GLU 37 far 0 23 0 - 4.3-6.4 HD2 LYS 82 - H LEU 64 far 0 75 0 - 4.6-5.9 HD3 LYS 40 - H GLU 37 far 0 31 0 - 4.9-7.5 HD2 LYS 40 - H GLU 37 far 0 30 0 - 5.3-7.9 HG2 LYS 66 - H LEU 64 far 0 100 0 - 5.3-8.0 HG3 LYS 66 - H LEU 64 far 0 100 0 - 6.4-8.1 HG3 LYS 33 - H GLU 37 far 0 39 0 - 6.7-7.7 HG LEU 38 - H LEU 64 far 0 75 0 - 7.7-11.7 HG3 LYS 66 - H GLU 37 far 0 42 0 - 8.6-12.2 HB2 LEU 38 - H LEU 64 far 0 68 0 - 9.4-10.9 HG LEU 6 - H GLU 37 far 0 23 0 - 10.0-10.6 Violated in 1 structures by 0.00 A. Peak 7038 from nnoeabs.peaks (1.48, 7.72, 120.36 ppm; 3.10 A): 1 out of 13 assignments used, quality = 0.98: HB3 LEU 64 + H LEU 64 OK 98 99 100 99 2.8-3.2 2818=63, 1.8/2810=54...(23) ! HG LEU 64 - H LEU 64 far 15 100 15 - 4.0-4.3 HG LEU 38 - H GLU 37 far 3 34 10 - 3.6-7.1 HB2 LEU 38 - H GLU 37 far 0 31 0 - 4.3-6.4 HD2 LYS 82 - H LEU 64 far 0 91 0 - 4.6-5.9 HD3 LYS 40 - H GLU 37 far 0 38 0 - 4.9-7.5 HD2 LYS 40 - H GLU 37 far 0 38 0 - 5.3-7.9 HG2 LYS 66 - H LEU 64 far 0 99 0 - 5.3-8.0 HG3 LYS 66 - H LEU 64 far 0 98 0 - 6.4-8.1 HG3 LYS 33 - H GLU 37 far 0 32 0 - 6.7-7.7 HG LEU 38 - H LEU 64 far 0 91 0 - 7.7-11.7 HG3 LYS 66 - H GLU 37 far 0 39 0 - 8.6-12.2 HB2 LEU 38 - H LEU 64 far 0 85 0 - 9.4-10.9 Violated in 1 structures by 0.00 A. Peak 7039 from nnoeabs.peaks (0.86, 7.72, 120.36 ppm; 4.12 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 4.0-4.1 2834=78, 3.1/7037=76...(20) QG2 VAL 32 + H GLU 37 OK 23 26 95 91 4.2-5.0 2.1/8936=58, ~8935=30...(11) QD1 LEU 38 - H GLU 37 far 6 43 15 - 4.6-6.5 HG13 ILE 8 - H GLU 37 far 0 31 0 - 6.8-9.1 QD1 LEU 38 - H LEU 64 far 0 100 0 - 6.8-8.9 HG13 ILE 8 - H LEU 64 far 0 85 0 - 6.9-8.8 QD1 LEU 57 - H LEU 64 far 0 68 0 - 8.2-8.8 QG2 VAL 32 - H LEU 64 far 0 75 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 7040 from nnoeabs.peaks (0.74, 7.72, 120.36 ppm; 3.84 A): 2 out of 17 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 4.3-4.4 3.1/7038=69, 2843/3.0=68...(20) QG1 VAL 58 + H LEU 64 OK 91 91 100 100 3.0-3.9 9385/3.0=53...(20) QD1 ILE 8 - H LEU 64 far 7 73 10 - 4.7-6.1 QD1 ILE 8 - H GLU 37 far 0 25 0 - 5.6-7.4 QD1 LEU 6 - H GLU 37 far 0 28 0 - 6.6-8.1 QD1 ILE 56 - H LEU 64 far 0 70 0 - 7.1-8.9 QD1 ILE 56 - H GLU 37 far 0 24 0 - 8.1-10.0 QG1 VAL 58 - H GLU 37 far 0 34 0 - 8.4-9.9 HG13 ILE 56 - H LEU 64 far 0 82 0 - 8.7-10.5 QD2 LEU 14 - H LEU 64 far 0 71 0 - 8.9-10.4 QG2 VAL 78 - H LEU 64 far 0 92 0 - 8.9-12.0 QD2 LEU 42 - H GLU 37 far 0 31 0 - 9.0-9.2 HG3 ARG 81 - H LEU 64 far 0 100 0 - 9.3-12.0 QG1 VAL 78 - H LEU 64 far 0 100 0 - 9.7-11.8 HG13 ILE 56 - H GLU 37 far 0 30 0 - 9.7-12.5 QD1 LEU 6 - H LEU 64 far 0 79 0 - 9.7-11.2 QG1 VAL 54 - H GLU 37 far 0 35 0 - 9.8-10.6 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 2.3-2.9 7047=100, 7049/2810=50...(21) H GLU 69 - H LEU 64 far 0 94 0 - 7.5-8.2 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 5 assignments used, quality = 1.00: * H LYS 66 + H LEU 64 OK 100 100 100 100 3.8-4.7 7062=100, 7064/7047=79...(11) H TYR 41 - H GLU 37 far 0 34 0 - 5.9-6.5 HE ARG 30 - H GLU 37 far 0 39 0 - 9.5-13.5 H SER 9 - H LEU 64 far 0 99 0 - 9.7-11.0 H SER 9 - H GLU 37 far 0 41 0 - 9.9-11.1 Violated in 6 structures by 0.06 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 1 assignment used, quality = 0.99: * HA GLU 62 + H ASP 65 OK 99 100 100 99 3.3-3.9 7060/7064=61, 2731=60...(9) Violated in 2 structures by 0.01 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...(16) H GLU 62 + H ASP 65 OK 91 91 100 100 4.6-5.1 3.0/7044=75, 10735=51...(15) H THR 80 - H ASP 65 far 0 73 0 - 9.2-10.1 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 4.2-5.0 3.6/7047=86...(13) HA GLU 35 - H ASP 65 far 0 82 0 - 9.3-11.8 Violated in 1 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 2.3-2.9 7041=80, 2810/7049=43...(21) H ASN 60 - H ASP 65 far 0 98 0 - 6.4-7.3 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 6 assignments used, quality = 0.99: * HB2 LEU 64 + H ASP 65 OK 99 100 100 99 2.5-2.9 2817=60, 1.8/2825=44...(27) HB3 GLU 62 - H ASP 65 far 0 87 0 - 5.4-6.0 HG2 GLU 69 - H ASP 65 far 0 97 0 - 5.6-6.4 HB2 GLU 69 - H ASP 65 far 0 97 0 - 6.4-8.2 HB3 GLU 69 - H ASP 65 far 0 97 0 - 8.0-9.3 HB3 GLU 35 - H ASP 65 far 0 73 0 - 8.3-11.4 Violated in 0 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 100 100 100 100 3.9-4.1 1.8/7049=73, 2825=50...(25) HG LEU 64 + H ASP 65 OK 98 99 100 99 2.5-3.3 3.0/7049=52, 2.1/7052=50...(19) HG2 LYS 66 - H ASP 65 far 0 100 0 - 4.2-6.4 HG3 LYS 66 - H ASP 65 far 0 100 0 - 5.9-7.2 HD2 LYS 82 - H ASP 65 far 0 75 0 - 6.7-7.7 HG LEU 38 - H ASP 65 far 0 75 0 - 8.0-12.5 HB2 LEU 38 - H ASP 65 far 0 68 0 - 9.7-11.9 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 2.5-3.3 3.0/7049=52, 2.1/7052=50...(20) HB3 LEU 64 + H ASP 65 OK 99 99 100 100 3.9-4.1 1.8/7049=73, 2825=49...(25) HG2 LYS 66 - H ASP 65 far 0 99 0 - 4.2-6.4 HG3 LYS 66 - H ASP 65 far 0 98 0 - 5.9-7.2 HD2 LYS 82 - H ASP 65 far 0 91 0 - 6.7-7.7 HG LEU 38 - H ASP 65 far 0 91 0 - 8.0-12.5 HB2 LEU 38 - H ASP 65 far 0 85 0 - 9.7-11.9 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 4 assignments used, quality = 1.00: * QD2 LEU 64 + H ASP 65 OK 100 100 100 100 3.7-3.9 2841=87, 3.1/7049=68...(22) QD1 LEU 38 - H ASP 65 far 0 100 0 - 7.0-9.2 HG13 ILE 8 - H ASP 65 far 0 85 0 - 8.8-10.6 QD1 LEU 57 - H ASP 65 far 0 68 0 - 9.6-10.4 Violated in 14 structures by 0.03 A. Peak 7053 from nnoeabs.peaks (0.74, 7.92, 118.10 ppm; 4.12 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 64 + H ASP 65 OK 100 100 100 100 3.7-4.4 2.1/7052=78, 3.1/7049=75...(30) QG1 VAL 58 + H ASP 65 OK 31 91 35 98 4.8-5.4 9385/3.6=52, 2.1/9393=39...(14) QD1 ILE 8 - H ASP 65 far 0 73 0 - 6.0-7.5 QD1 ILE 56 - H ASP 65 far 0 70 0 - 7.1-9.6 QG2 VAL 78 - H ASP 65 far 0 92 0 - 8.8-11.8 HG13 ILE 56 - H ASP 65 far 0 82 0 - 8.9-11.6 QG1 VAL 78 - H ASP 65 far 0 100 0 - 9.6-11.3 Violated in 1 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 2.8-2.8 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 = 0.97: * HB2 ASP 65 + H ASP 65 OK 97 100 100 97 2.1-3.0 2859=62, 1.8/7056=61...(15) HB3 ASP 61 - H ASP 65 far 0 94 0 - 4.9-6.7 HE2 LYS 82 - H ASP 65 far 0 87 0 - 5.0-9.1 Violated in 1 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 2.2-3.2 2865=85, 1.8/7055=75...(15) Violated in 6 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 2.6-3.0 7064=100, 7066/7055=49...(16) 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 3.9-4.4 7077/7064=84...(18) Violated in 0 structures by 0.00 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 = 0.74: * HA GLU 62 + H LYS 66 OK 74 100 85 87 3.5-4.9 7044/7064=45...(6) Violated in 20 structures by 0.60 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 3.3-4.0 2769=84, 2771/7070=60...(14) HA GLU 35 - H LYS 66 far 0 82 0 - 7.0-9.7 HA LEU 38 - H LYS 66 far 0 57 0 - 9.9-12.4 Violated in 4 structures by 0.01 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 3.8-4.7 7042=79, 7047/7064=71...(11) H ASN 60 - H LYS 66 far 0 98 0 - 7.7-8.6 Violated in 13 structures by 0.22 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 4.2-5.0 3.6/7064=89, 3.0/7062=85...(9) Violated in 0 structures by 0.00 A. Peak 7064 from nnoeabs.peaks (7.92, 7.80, 119.34 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 65 + H LYS 66 OK 100 100 100 100 2.6-3.0 7057=94, 7055/7066=47...(16) H GLU 69 - H LYS 66 far 0 94 0 - 4.6-5.0 H GLN 72 - H LYS 66 far 0 98 0 - 9.0-9.6 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 3.5-3.6 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 2.8-3.4 2863=68, 1.8/7067=68...(13) HB3 ASP 61 - H LYS 66 far 0 94 0 - 6.8-9.0 HE2 LYS 82 - H LYS 66 far 0 87 0 - 7.3-11.8 Violated in 13 structures by 0.01 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 2.1-3.5 2869=86, 1.8/7066=75...(16) Violated in 1 structures by 0.00 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 2.8-2.9 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 4 assignments used, quality = 1.00: * HB2 LYS 66 + H LYS 66 OK 100 100 100 100 3.4-3.6 2885=75, 1.8/7070=74...(20) HB3 GLU 63 - H LYS 66 far 0 98 0 - 5.2-6.0 HB ILE 56 - H LYS 66 far 0 100 0 - 8.1-9.2 HB3 LYS 82 - H LYS 66 far 0 100 0 - 9.0-10.6 Violated in 20 structures by 0.41 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 2.1-2.7 2897=71, 1.8/7069=63...(20) HB3 LYS 68 - H LYS 66 far 0 99 0 - 4.9-7.2 HB2 LYS 68 - H LYS 66 far 0 88 0 - 5.6-7.4 HB ILE 8 - H LYS 66 far 0 70 0 - 8.0-9.1 Violated in 0 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 100 100 100 100 1.9-3.7 3.0/7070=52, 3.0/7069=50...(28) HG3 LYS 66 + H LYS 66 OK 79 100 80 99 3.3-4.4 3.0/7070=52, 3.0/7069=50...(24) HG LEU 64 - H LYS 66 far 0 99 0 - 4.7-5.4 HB3 LEU 64 - H LYS 66 far 0 100 0 - 5.7-6.4 HG LEU 38 - H LYS 66 far 0 73 0 - 6.4-10.5 HB2 LEU 38 - H LYS 66 far 0 65 0 - 7.7-10.4 HD2 LYS 82 - H LYS 66 far 0 73 0 - 8.7-10.2 HG2 LYS 73 - H LYS 66 far 0 100 0 - 9.3-12.1 HG12 ILE 56 - H LYS 66 far 0 57 0 - 9.4-11.0 Violated in 4 structures by 0.05 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 100 100 100 100 1.9-3.7 3.0/7070=52, 3.0/7069=50...(28) * HG3 LYS 66 + H LYS 66 OK 79 100 80 99 3.3-4.4 3.0/7070=52, 3.0/7069=50...(24) HG LEU 64 - H LYS 66 far 0 98 0 - 4.7-5.4 HB3 LEU 64 - H LYS 66 far 0 100 0 - 5.7-6.4 HG LEU 38 - H LYS 66 far 0 70 0 - 6.4-10.5 HB2 LEU 38 - H LYS 66 far 0 61 0 - 7.7-10.4 HD2 LYS 82 - H LYS 66 far 0 70 0 - 8.7-10.2 HG2 LYS 73 - H LYS 66 far 0 100 0 - 9.3-12.1 HG12 ILE 56 - H LYS 66 far 0 61 0 - 9.4-11.0 Violated in 4 structures by 0.05 A. Peak 7073 from nnoeabs.peaks (1.60, 7.80, 119.34 ppm; 4.82 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 66 + H LYS 66 OK 100 100 100 100 3.5-4.9 1.8/7074=96, 3.6/7070=86...(31) HD3 LYS 82 - H LYS 66 far 0 68 0 - 7.7-11.0 HG3 LYS 73 - H LYS 66 far 0 100 0 - 9.6-11.2 Violated in 10 structures by 0.03 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 2.4-4.0 2942/3.0=65, 3.6/7070=63...(28) HG LEU 70 - H LYS 66 far 0 100 0 - 5.8-6.9 HB3 LEU 70 - H LYS 66 far 0 97 0 - 6.3-9.2 HD3 LYS 73 - H LYS 66 far 0 65 0 - 8.4-12.9 HD2 LYS 73 - H LYS 66 far 0 70 0 - 8.9-13.1 Violated in 12 structures by 0.02 A. Peak 7075 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 4.69 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 66 + H LYS 66 OK 100 100 100 100 4.4-5.5 2.9/7074=80, 4.7/7070=64...(27) HE3 LYS 66 + H LYS 66 OK 95 100 95 100 3.2-5.6 2.9/7074=80, 4.7/7070=64...(28) HE2 LYS 68 - H LYS 66 far 10 96 10 - 5.0-9.8 HE3 LYS 68 - H LYS 66 far 5 98 5 - 5.2-9.7 HB2 ASN 60 - H LYS 66 far 0 100 0 - 7.1-8.4 HE2 LYS 39 - H LYS 66 far 0 87 0 - 9.5-14.9 HE3 LYS 39 - H LYS 66 far 0 94 0 - 9.9-14.7 Violated in 3 structures by 0.02 A. Peak 7076 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 4.63 A): 2 out of 7 assignments used, quality = 1.00: HE2 LYS 66 + H LYS 66 OK 100 100 100 100 4.4-5.5 2.9/7074=78, 4.7/7070=63...(27) * HE3 LYS 66 + H LYS 66 OK 90 100 90 100 3.2-5.6 2.9/7074=78, 4.7/7070=63...(28) HE2 LYS 68 - H LYS 66 far 10 99 10 - 5.0-9.8 HE3 LYS 68 - H LYS 66 far 5 100 5 - 5.2-9.7 HB2 ASN 60 - H LYS 66 far 0 99 0 - 7.1-8.4 HE2 LYS 39 - H LYS 66 far 0 77 0 - 9.5-14.9 HE3 LYS 39 - H LYS 66 far 0 87 0 - 9.9-14.7 Violated in 3 structures by 0.03 A. Peak 7077 from nnoeabs.peaks (8.48, 7.80, 119.34 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + H LYS 66 OK 100 100 100 100 2.4-2.9 7084=78, 7087/7070=40...(24) 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 3.8-4.3 7101=93, 7103/7077=82...(13) H ASP 36 - H LYS 66 far 0 100 0 - 9.8-12.9 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): 1 out of 3 assignments used, quality = 1.00: * HA GLU 63 + H ALA 67 OK 100 100 100 100 3.8-4.3 10750=95, 7061/7077=77...(14) HA GLU 35 - H ALA 67 far 0 82 0 - 5.7-8.5 HA LEU 38 - H ALA 67 far 0 57 0 - 7.8-10.3 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 3.3-3.7 2808=90, 2981/2.9=79...(13) 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 3.9-4.4 7058=84, 7064/7077=78...(18) H GLU 69 + H ALA 67 OK 94 94 100 100 3.8-4.6 7120=76, 7122/7103=71...(18) H GLN 72 - H ALA 67 far 0 98 0 - 7.5-8.2 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 4.1-4.8 10772=100, 3.6/7077=96...(19) HA ASP 36 - H ALA 67 far 0 87 0 - 9.7-12.5 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 2.4-2.9 7077=100, 7070/7087=47...(25) H LYS 73 - H ALA 67 far 0 59 0 - 8.9-9.3 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 3.5-3.6 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 3.2-3.8 2895=86, 1.8/7087=73...(19) HB3 GLU 63 - H ALA 67 far 0 98 0 - 5.0-6.0 HB ILE 56 - H ALA 67 far 0 100 0 - 6.0-6.6 HB VAL 78 - H ALA 67 far 0 97 0 - 8.5-11.1 HB2 LYS 39 - H ALA 67 far 0 73 0 - 8.7-11.1 HB3 LYS 82 - H ALA 67 far 0 100 0 - 8.9-10.6 Violated in 15 structures by 0.05 A. Peak 7087 from nnoeabs.peaks (1.86, 8.48, 121.56 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 66 + H ALA 67 OK 100 100 100 100 2.3-3.1 2907=85, 1.8/7086=73...(18) HB3 LYS 68 - H ALA 67 far 10 99 10 - 4.3-6.2 HB2 LYS 68 - H ALA 67 far 0 88 0 - 4.8-6.1 HB ILE 8 - H ALA 67 far 0 70 0 - 6.5-7.8 HG LEU 42 - H ALA 67 far 0 68 0 - 8.5-10.3 HB3 LYS 39 - H ALA 67 far 0 100 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 7088 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.29 A): 3 out of 9 assignments used, quality = 1.00: * HG2 LYS 66 + H ALA 67 OK 100 100 100 100 3.9-5.0 3.0/7086=73, 3.0/7087=73...(18) HG3 LYS 66 + H ALA 67 OK 80 100 80 100 4.5-5.3 3.0/7086=73, 3.0/7087=73...(15) HG LEU 38 + H ALA 67 OK 30 73 50 81 4.2-8.8 2.1/9519=21, ~9526=20...(17) HG LEU 64 - H ALA 67 poor 20 99 20 - 5.1-5.6 HB3 LEU 64 - H ALA 67 far 0 100 0 - 5.4-5.9 HB2 LEU 38 - H ALA 67 far 0 65 0 - 5.9-8.4 HG12 ILE 56 - H ALA 67 far 0 57 0 - 7.1-8.5 HG2 LYS 73 - H ALA 67 far 0 100 0 - 9.0-11.2 HD2 LYS 82 - H ALA 67 far 0 73 0 - 9.1-10.3 Violated in 3 structures by 0.03 A. Peak 7089 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.29 A): 3 out of 9 assignments used, quality = 1.00: HG2 LYS 66 + H ALA 67 OK 100 100 100 100 3.9-5.0 3.0/7086=73, 3.0/7087=73...(18) * HG3 LYS 66 + H ALA 67 OK 80 100 80 100 4.5-5.3 3.0/7086=73, 3.0/7087=73...(15) HG LEU 38 + H ALA 67 OK 28 70 50 80 4.2-8.8 2.1/9519=21, ~9526=20...(17) HG LEU 64 - H ALA 67 poor 20 98 20 - 5.1-5.6 HB3 LEU 64 - H ALA 67 far 0 100 0 - 5.4-5.9 HB2 LEU 38 - H ALA 67 far 0 61 0 - 5.9-8.4 HG12 ILE 56 - H ALA 67 far 0 61 0 - 7.1-8.5 HG2 LYS 73 - H ALA 67 far 0 100 0 - 9.0-11.2 HD2 LYS 82 - H ALA 67 far 0 70 0 - 9.1-10.3 Violated in 3 structures by 0.03 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 5.5-6.2 3.6/7086=94, 3.6/7087=94...(14) HD3 LYS 82 - H ALA 67 far 0 68 0 - 8.1-11.2 HG3 LYS 73 - H ALA 67 far 0 100 0 - 9.0-11.1 Violated in 17 structures by 0.08 A. Peak 7091 from nnoeabs.peaks (1.70, 8.48, 121.56 ppm; 4.56 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 66 + H ALA 67 OK 100 100 100 100 4.4-5.2 7074/7077=74...(13) HG LEU 70 + H ALA 67 OK 77 100 80 96 5.0-6.1 9539/3.0=41...(21) HB3 LEU 70 + H ALA 67 OK 58 97 65 91 4.7-7.4 3141/3.0=35, ~3132=25...(18) HD2 LYS 73 - H ALA 67 far 0 70 0 - 8.5-12.3 HD3 LYS 73 - H ALA 67 far 0 65 0 - 8.5-12.4 HD2 ARG 81 - H ALA 67 far 0 87 0 - 10.0-13.3 Violated in 2 structures by 0.01 A. Peak 7092 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 6.50 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 66 + H ALA 67 OK 100 100 100 100 5.7-7.2 4.7/7086=91, 4.7/7087=91...(14) HE3 LYS 66 + H ALA 67 OK 100 100 100 100 5.4-7.2 4.7/7086=91, 4.7/7087=91...(15) HE2 LYS 68 + H ALA 67 OK 32 96 35 95 4.9-9.1 7.2/7103=62...(9) HE3 LYS 68 + H ALA 67 OK 28 98 30 94 5.4-9.1 7.2/7103=62...(8) HB2 ASN 60 - H ALA 67 far 0 100 0 - 7.7-9.5 HE2 LYS 39 - H ALA 67 far 0 87 0 - 8.8-13.6 HE3 LYS 39 - H ALA 67 far 0 94 0 - 9.2-13.7 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 = 0.89: HE2 LYS 66 + H ALA 67 OK 70 100 70 100 5.7-7.2 4.7/7086=83, 4.7/7087=83...(14) * HE3 LYS 66 + H ALA 67 OK 65 100 65 100 5.4-7.2 4.7/7086=83, 4.7/7087=83...(15) HE2 LYS 68 - H ALA 67 poor 20 99 20 - 4.9-9.1 HE3 LYS 68 - H ALA 67 far 15 100 15 - 5.4-9.1 HB2 ASN 60 - H ALA 67 far 0 99 0 - 7.7-9.5 HE2 LYS 39 - H ALA 67 far 0 77 0 - 8.8-13.6 HE3 LYS 39 - H ALA 67 far 0 87 0 - 9.2-13.7 Violated in 15 structures by 0.09 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 - 5.7-8.5 HA LEU 38 - H ALA 67 far 0 92 0 - 7.8-10.3 HA ALA 71 - H ALA 67 far 0 99 0 - 8.2-9.1 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 6 assignments used, quality = 1.00: * QB ALA 67 + H ALA 67 OK 100 100 100 100 2.0-2.3 2.9=100 HG3 LYS 68 - H ALA 67 far 0 98 0 - 4.2-6.8 HB2 LEU 70 - H ALA 67 far 0 73 0 - 4.9-7.0 HG12 ILE 8 - H ALA 67 far 0 84 0 - 6.7-8.8 HB2 LYS 82 - H ALA 67 far 0 100 0 - 7.4-8.9 HG2 LYS 39 - H ALA 67 far 0 99 0 - 8.4-11.6 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 2.4-2.7 7103=100, 2985/2.9=54...(20) H ASP 36 - H ALA 67 far 0 100 0 - 9.0-11.8 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 3.8-4.6 7120=83, 7115/7103=78...(20) H ASP 65 + H ALA 67 OK 94 94 100 100 3.9-4.4 7058=77, 7057/7077=70...(18) H GLN 72 - H ALA 67 far 0 100 0 - 7.5-8.2 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 3.7-4.4 2981/2985=53, 10249=45...(10) Violated in 15 structures by 0.20 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 3.3-3.7 2855=68, 7118/7115=49...(22) 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 3.8-4.3 7078=100, 7077/7103=84...(13) H LYS 73 - H LYS 68 far 0 59 0 - 7.5-8.0 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 4.1-4.5 10774=100, 3.6/7103=87...(11) 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 2.4-2.7 7096=80, 2.9/2985=47...(20) H ARG 79 - H LYS 68 far 0 93 0 - 8.4-10.0 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...(11) HA ALA 71 - H LYS 68 far 0 99 0 - 7.1-7.9 HA GLU 35 - H LYS 68 far 0 71 0 - 7.6-10.2 HA LEU 38 - H LYS 68 far 0 92 0 - 8.8-11.2 Violated in 20 structures by 0.12 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 2.6-2.9 2985=73, 2.1/7104=54...(20) HG3 LYS 68 + H LYS 68 OK 78 98 80 100 2.2-4.2 1.8/7109=64, 2.9/2998=42...(25) HB2 LEU 70 - H LYS 68 far 0 73 0 - 4.9-7.0 HB2 LYS 82 - H LYS 68 far 0 100 0 - 7.5-8.9 HG12 ILE 8 - H LYS 68 far 0 84 0 - 8.8-10.5 HG2 LYS 39 - H LYS 68 far 0 99 0 - 9.1-12.0 HB3 LEU 42 - H LYS 68 far 0 70 0 - 9.8-11.5 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 4 assignments used, quality = 1.00: * HB2 LYS 68 + H LYS 68 OK 99 100 100 99 2.5-3.6 2998=58, 1.8/3010=49...(22) HB3 LYS 68 + H LYS 68 OK 70 71 100 98 2.1-3.6 1.8/2998=50, 2.9/7109=43...(24) HB3 LYS 66 - H LYS 68 far 0 88 0 - 4.7-5.3 HB2 LEU 42 - H LYS 68 far 0 75 0 - 9.8-11.6 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 6 assignments used, quality = 1.00: * HB3 LYS 68 + H LYS 68 OK 99 100 100 99 2.1-3.6 3010=56, 1.8/2998=50...(25) HB2 LYS 68 + H LYS 68 OK 70 71 100 98 2.5-3.6 1.8/3010=49, 2.9/7112=43...(22) HB3 LYS 66 - H LYS 68 far 0 99 0 - 4.7-5.3 HG LEU 42 - H LYS 68 far 0 85 0 - 8.3-10.3 HB ILE 8 - H LYS 68 far 0 87 0 - 8.5-9.7 HB VAL 54 - H LYS 68 far 0 97 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7109 from nnoeabs.peaks (1.64, 8.19, 116.17 ppm; 3.20 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 68 + H LYS 68 OK 100 100 100 100 2.1-3.8 3021=52, 2.9/2998=47...(22) HD3 LYS 68 - H LYS 68 far 15 99 15 - 3.4-5.1 HD2 LYS 68 - H LYS 68 far 10 99 10 - 3.7-4.9 HD2 LYS 73 - H LYS 68 far 0 85 0 - 7.9-11.2 HD3 LYS 73 - H LYS 68 far 0 88 0 - 8.3-11.8 HB3 ARG 79 - H LYS 68 far 0 98 0 - 9.1-11.6 HB3 LEU 6 - H LYS 68 far 0 100 0 - 9.1-11.4 HB ILE 76 - H LYS 68 far 0 100 0 - 9.7-11.6 HD2 LYS 39 - H LYS 68 far 0 98 0 - 9.8-12.5 Violated in 6 structures by 0.08 A. Peak 7110 from nnoeabs.peaks (1.35, 8.19, 116.17 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.99: QB ALA 67 + H LYS 68 OK 97 98 100 99 2.6-2.9 2985=69, 2.1/7104=53...(20) * HG3 LYS 68 + H LYS 68 OK 80 100 80 99 2.2-4.2 1.8/7109=63, 2.9/2998=42...(24) HB2 LEU 70 - H LYS 68 far 0 92 0 - 4.9-7.0 HB2 LYS 82 - H LYS 68 far 0 100 0 - 7.5-8.9 HG12 ILE 8 - H LYS 68 far 0 97 0 - 8.8-10.5 HG2 LYS 39 - H LYS 68 far 0 100 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 7111 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.20 A): 1 out of 9 assignments used, quality = 0.98: HG2 LYS 68 + H LYS 68 OK 98 99 100 100 2.1-3.8 3021=51, 2.9/2998=47...(22) HD3 LYS 68 - H LYS 68 far 15 100 15 - 3.4-5.1 ! HD2 LYS 68 - H LYS 68 far 10 100 10 - 3.7-4.9 HD2 LYS 73 - H LYS 68 far 0 96 0 - 7.9-11.2 HD3 LYS 73 - H LYS 68 far 0 98 0 - 8.3-11.8 HB3 ARG 79 - H LYS 68 far 0 100 0 - 9.1-11.6 HB3 LEU 6 - H LYS 68 far 0 100 0 - 9.1-11.4 HB ILE 76 - H LYS 68 far 0 99 0 - 9.7-11.6 HD2 LYS 39 - H LYS 68 far 0 100 0 - 9.8-12.5 Violated in 6 structures by 0.08 A. Peak 7112 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.20 A): 1 out of 9 assignments used, quality = 0.99: HG2 LYS 68 + H LYS 68 OK 99 99 100 100 2.1-3.8 3021=51, 2.9/2998=47...(22) ! HD3 LYS 68 - H LYS 68 far 15 100 15 - 3.4-5.1 HD2 LYS 68 - H LYS 68 far 10 100 10 - 3.7-4.9 HD2 LYS 73 - H LYS 68 far 0 96 0 - 7.9-11.2 HD3 LYS 73 - H LYS 68 far 0 97 0 - 8.3-11.8 HB3 ARG 79 - H LYS 68 far 0 100 0 - 9.1-11.6 HB3 LEU 6 - H LYS 68 far 0 100 0 - 9.1-11.4 HB ILE 76 - H LYS 68 far 0 100 0 - 9.7-11.6 HD2 LYS 39 - H LYS 68 far 0 100 0 - 9.8-12.5 Violated in 6 structures by 0.08 A. Peak 7113 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.31 A): 2 out of 8 assignments used, quality = 0.99: * HE2 LYS 68 + H LYS 68 OK 95 100 95 100 3.5-6.6 3.6/7111=92, 3.6/3032=79...(25) HE3 LYS 68 + H LYS 68 OK 80 100 80 100 4.0-6.8 3.6/7111=92, 3.6/3032=79...(24) HE3 LYS 66 - H LYS 68 far 0 99 0 - 6.3-8.7 HE2 LYS 66 - H LYS 68 far 0 96 0 - 7.2-8.9 HE3 LYS 73 - H LYS 68 far 0 65 0 - 8.8-12.6 HB2 ASN 60 - H LYS 68 far 0 94 0 - 9.6-11.2 HE2 LYS 39 - H LYS 68 far 0 59 0 - 9.8-14.3 HE3 LYS 39 - H LYS 68 far 0 71 0 - 10.0-14.3 Violated in 4 structures by 0.04 A. Peak 7114 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.31 A): 2 out of 8 assignments used, quality = 0.99: HE2 LYS 68 + H LYS 68 OK 95 100 95 100 3.5-6.6 3.6/7111=92, 3.6/3032=79...(25) * HE3 LYS 68 + H LYS 68 OK 80 100 80 100 4.0-6.8 3.6/7112=92, 3.6/3032=79...(24) HE3 LYS 66 - H LYS 68 far 0 100 0 - 6.3-8.7 HE2 LYS 66 - H LYS 68 far 0 98 0 - 7.2-8.9 HE3 LYS 73 - H LYS 68 far 0 61 0 - 8.8-12.6 HB2 ASN 60 - H LYS 68 far 0 96 0 - 9.6-11.2 HE2 LYS 39 - H LYS 68 far 0 63 0 - 9.8-14.3 HE3 LYS 39 - H LYS 68 far 0 75 0 - 10.0-14.3 Violated in 4 structures by 0.04 A. Peak 7115 from nnoeabs.peaks (7.90, 8.19, 116.17 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + H LYS 68 OK 100 100 100 100 2.4-2.6 7122=97, 3008/2998=32...(23) H ASP 65 - H LYS 68 far 0 94 0 - 4.5-4.8 H GLN 72 - H LYS 68 far 0 100 0 - 5.8-6.3 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 3.8-4.5 7137/7115=88, 7141=83...(13) Violated in 0 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 = 1.00: * HA ASP 65 + H GLU 69 OK 100 100 100 100 3.6-4.5 7100/7115=70...(18) Violated in 1 structures by 0.01 A. Peak 7119 from nnoeabs.peaks (4.08, 7.90, 119.49 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + H GLU 69 OK 100 100 100 100 3.5-3.6 2881=100, 7139/7137=41...(13) Violated in 0 structures by 0.00 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 3.8-4.6 7103/7115=84...(20) H ARG 79 - H GLU 69 far 0 93 0 - 9.9-11.5 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 = 0.89: * HA ALA 67 + H GLU 69 OK 89 100 90 98 4.3-5.1 7104/7115=69...(10) HA ALA 71 - H GLU 69 far 0 99 0 - 6.7-7.3 HA GLU 35 - H GLU 69 far 0 71 0 - 8.3-10.6 HA LEU 38 - H GLU 69 far 0 92 0 - 9.9-12.0 Violated in 20 structures by 0.54 A. Peak 7122 from nnoeabs.peaks (8.19, 7.90, 119.49 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 68 + H GLU 69 OK 100 100 100 100 2.4-2.6 7115=100, 2998/3008=33...(23) 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 5 assignments used, quality = 1.00: * HB2 LYS 68 + H GLU 69 OK 98 100 100 98 2.4-4.0 3008=60, 1.8/3020=52...(19) HB3 LYS 68 + H GLU 69 OK 69 71 100 97 2.5-4.0 1.8/3008=53, 3020=37...(20) HB3 LYS 66 - H GLU 69 far 0 88 0 - 5.5-5.9 HB3 LYS 39 - H GLU 69 far 0 87 0 - 9.6-11.9 HB2 LEU 42 - H GLU 69 far 0 75 0 - 9.8-11.1 Violated in 13 structures by 0.15 A. Peak 7125 from nnoeabs.peaks (1.87, 7.90, 119.49 ppm; 3.22 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 68 + H GLU 69 OK 99 100 100 99 2.5-4.0 3020=60, 1.8/3008=53...(20) HB2 LYS 68 + H GLU 69 OK 69 71 100 97 2.4-4.0 1.8/3020=53, 3008=38...(19) HB3 LYS 66 - H GLU 69 far 0 99 0 - 5.5-5.9 HG LEU 42 - H GLU 69 far 0 85 0 - 8.9-10.6 HB3 LYS 39 - H GLU 69 far 0 99 0 - 9.6-11.9 Violated in 13 structures by 0.15 A. Peak 7126 from nnoeabs.peaks (1.64, 7.90, 119.49 ppm; 3.87 A): 2 out of 8 assignments used, quality = 0.93: * HG2 LYS 68 + H GLU 69 OK 75 100 75 100 2.2-5.1 7109/7115=68...(20) HD2 LYS 68 + H GLU 69 OK 73 99 75 99 4.1-5.6 3.5/3008=52, 3.5/3020=52...(21) HD3 LYS 68 - H GLU 69 poor 20 99 20 - 4.5-6.2 HD2 LYS 73 - H GLU 69 far 0 85 0 - 5.8-9.4 HD3 LYS 73 - H GLU 69 far 0 88 0 - 6.0-9.8 HD2 LYS 39 - H GLU 69 far 0 98 0 - 8.8-11.6 HD3 LYS 39 - H GLU 69 far 0 100 0 - 9.2-11.5 HB ILE 76 - H GLU 69 far 0 100 0 - 9.3-11.1 Violated in 7 structures by 0.11 A. Peak 7127 from nnoeabs.peaks (1.35, 7.90, 119.49 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 67 + H GLU 69 OK 87 98 90 99 4.4-4.9 2.1/7121=67...(17) * HG3 LYS 68 + H GLU 69 OK 85 100 85 100 1.9-5.1 2.9/3008=61, 2.9/3020=61...(21) HB2 LEU 70 - H GLU 69 far 9 92 10 - 4.6-6.4 HG2 LYS 39 - H GLU 69 far 0 100 0 - 8.4-11.3 HB2 LYS 82 - H GLU 69 far 0 100 0 - 9.6-10.8 Violated in 7 structures by 0.10 A. Peak 7128 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.87 A): 2 out of 8 assignments used, quality = 0.93: HG2 LYS 68 + H GLU 69 OK 74 99 75 100 2.2-5.1 7111/7115=68...(20) * HD2 LYS 68 + H GLU 69 OK 74 100 75 99 4.1-5.6 3.5/3008=52, 3.5/3020=52...(21) HD3 LYS 68 - H GLU 69 poor 20 100 20 - 4.5-6.2 HD2 LYS 73 - H GLU 69 far 0 96 0 - 5.8-9.4 HD3 LYS 73 - H GLU 69 far 0 98 0 - 6.0-9.8 HD2 LYS 39 - H GLU 69 far 0 100 0 - 8.8-11.6 HD3 LYS 39 - H GLU 69 far 0 99 0 - 9.2-11.5 HB ILE 76 - H GLU 69 far 0 99 0 - 9.3-11.1 Violated in 7 structures by 0.11 A. Peak 7129 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.87 A): 2 out of 8 assignments used, quality = 0.93: HG2 LYS 68 + H GLU 69 OK 74 99 75 100 2.2-5.1 7112/7115=68...(20) HD2 LYS 68 + H GLU 69 OK 74 100 75 99 4.1-5.6 3.5/3008=52, 3.5/3020=52...(21) ! HD3 LYS 68 - H GLU 69 poor 20 100 20 99 4.5-6.2 3.5/3008=52, 3.5/3020=52...(20) HD2 LYS 73 - H GLU 69 far 0 96 0 - 5.8-9.4 HD3 LYS 73 - H GLU 69 far 0 97 0 - 6.0-9.8 HD2 LYS 39 - H GLU 69 far 0 100 0 - 8.8-11.6 HD3 LYS 39 - H GLU 69 far 0 99 0 - 9.2-11.5 HB ILE 76 - H GLU 69 far 0 100 0 - 9.3-11.1 Violated in 7 structures by 0.11 A. Peak 7130 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.90 A): 2 out of 7 assignments used, quality = 0.99: HE3 LYS 68 + H GLU 69 OK 95 100 95 100 4.2-7.2 5.0/3008=77, 5.0/3020=76...(17) * HE2 LYS 68 + H GLU 69 OK 90 100 90 100 3.6-7.0 5.0/3008=77, 5.0/3020=76...(19) HE3 LYS 66 - H GLU 69 poor 20 99 20 - 5.3-8.2 HE2 LYS 66 - H GLU 69 far 14 96 15 - 6.3-8.2 HE3 LYS 73 - H GLU 69 far 7 65 10 - 6.4-10.7 HE3 LYS 39 - H GLU 69 far 0 71 0 - 8.6-13.2 HE2 LYS 39 - H GLU 69 far 0 59 0 - 8.7-13.6 Violated in 2 structures by 0.03 A. Peak 7131 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.90 A): 2 out of 7 assignments used, quality = 0.99: * HE3 LYS 68 + H GLU 69 OK 95 100 95 100 4.2-7.2 5.0/3008=77, 5.0/3020=76...(17) HE2 LYS 68 + H GLU 69 OK 90 100 90 100 3.6-7.0 5.0/3008=77, 5.0/3020=76...(19) HE3 LYS 66 - H GLU 69 poor 20 100 20 - 5.3-8.2 HE2 LYS 66 - H GLU 69 far 15 98 15 - 6.3-8.2 HE3 LYS 73 - H GLU 69 far 6 61 10 - 6.4-10.7 HE3 LYS 39 - H GLU 69 far 0 75 0 - 8.6-13.2 HE2 LYS 39 - H GLU 69 far 0 63 0 - 8.7-13.6 Violated in 2 structures by 0.03 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): 2 out of 6 assignments used, quality = 0.99: HG2 GLU 69 + H GLU 69 OK 94 100 100 94 2.2-3.1 3110=44, 1.8/7136=33...(16) * HB2 GLU 69 + H GLU 69 OK 92 100 100 92 2.3-2.8 3095=34, 3.0/3110=30...(16) HB3 GLU 69 - H GLU 69 far 0 100 0 - 3.6-3.6 HB2 GLN 72 - H GLU 69 far 0 63 0 - 5.9-7.4 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.5-8.3 HB3 GLU 62 - H GLU 69 far 0 61 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 7134 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.62 A): 2 out of 6 assignments used, quality = 0.99: HG2 GLU 69 + H GLU 69 OK 94 100 100 94 2.2-3.1 3110=44, 1.8/7136=33...(16) HB2 GLU 69 + H GLU 69 OK 92 100 100 92 2.3-2.8 3095=34, 3.0/3110=30...(16) ! HB3 GLU 69 - H GLU 69 far 0 100 0 - 3.6-3.6 HB2 GLN 72 - H GLU 69 far 0 63 0 - 5.9-7.4 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.5-8.3 HB3 GLU 62 - H GLU 69 far 0 61 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 7135 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.62 A): 2 out of 6 assignments used, quality = 0.99: * HG2 GLU 69 + H GLU 69 OK 94 100 100 94 2.2-3.1 3110=44, 1.8/7136=33...(16) HB2 GLU 69 + H GLU 69 OK 92 100 100 92 2.3-2.8 3095=34, 3.0/3110=30...(16) HB3 GLU 69 - H GLU 69 far 0 100 0 - 3.6-3.6 HB2 GLN 72 - H GLU 69 far 0 63 0 - 5.9-7.4 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.5-8.3 HB3 GLU 62 - H GLU 69 far 0 61 0 - 9.6-11.2 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 2.2-3.8 3117=97, 1.8/3110=82...(16) Violated in 3 structures by 0.00 A. Peak 7137 from nnoeabs.peaks (7.96, 7.90, 119.49 ppm; 2.95 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 70 + H GLU 69 OK 99 100 100 99 2.4-2.9 7143=91, 3116/3110=29...(17) Violated in 0 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 3.2-4.5 2881/7137=83...(9) Violated in 0 structures by 0.00 A. Peak 7140 from nnoeabs.peaks (3.85, 7.96, 119.43 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 67 + H LEU 70 OK 100 100 100 100 3.5-4.4 2978=93, 7121/7137=63...(13) HA ALA 71 - H LEU 70 far 0 99 0 - 5.2-5.6 HA GLU 35 - H LEU 70 far 0 71 0 - 6.5-8.8 HA LEU 38 - H LEU 70 far 0 92 0 - 8.3-10.0 Violated in 3 structures by 0.02 A. Peak 7141 from nnoeabs.peaks (8.19, 7.96, 119.43 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 68 + H LEU 70 OK 100 100 100 100 3.8-4.5 7116=100, 7115/7137=93...(13) H ASP 36 - H LEU 70 far 0 100 0 - 9.4-11.6 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 4.3-5.2 3.6/7137=79, 2.9/7116=63...(7) Violated in 15 structures by 0.25 A. Peak 7143 from nnoeabs.peaks (7.90, 7.96, 119.43 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + H LEU 70 OK 100 100 100 100 2.4-2.9 7137=100, 3110/3116=32...(18) H GLN 72 - H LEU 70 poor 20 100 20 - 3.8-4.4 H ASP 65 - H LEU 70 far 0 94 0 - 7.6-8.4 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 2.7-2.8 3.0=100 HA GLU 75 - H LEU 70 far 0 100 0 - 9.3-10.2 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 99 100 100 99 2.2-2.8 3109=50, 3.0/3116=43...(15) HB3 GLU 69 + H LEU 70 OK 96 100 100 96 3.0-3.9 3109=49, 3.0/3116=43...(11) HG2 GLU 69 + H LEU 70 OK 34 100 35 98 3.9-4.4 3116=64, 3110/7137=51...(10) HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.0-7.2 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.5-10.2 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 99 100 100 99 2.2-2.8 3109=50, 3.0/3116=43...(15) * HB3 GLU 69 + H LEU 70 OK 96 100 100 96 3.0-3.9 3109=49, 3.0/3116=43...(11) HG2 GLU 69 + H LEU 70 OK 34 100 35 98 3.9-4.4 3116=64, 3110/7137=51...(10) HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.0-7.2 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.5-10.2 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 99 100 100 99 2.2-2.8 3109=50, 3.0/3116=43...(15) HB3 GLU 69 + H LEU 70 OK 96 100 100 96 3.0-3.9 3109=49, 3.0/3116=43...(11) * HG2 GLU 69 + H LEU 70 OK 34 100 35 98 3.9-4.4 3116=64, 3110/7137=51...(10) HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.0-7.2 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.5-10.2 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 1 assignment used, quality = 1.00: * HG3 GLU 69 + H LEU 70 OK 100 100 100 100 4.4-5.2 1.8/3116=99...(7) 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 2.7-2.8 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 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 7150 from nnoeabs.peaks (1.37, 7.96, 119.43 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.3-3.6 3133=100, 1.8/3142=80...(16) HG3 LYS 68 - H LEU 70 far 5 92 5 - 4.4-7.2 QB ALA 67 - H LEU 70 far 0 73 0 - 4.7-5.3 HG2 LYS 39 - H LEU 70 far 0 87 0 - 5.8-8.9 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 2.1-3.6 3142=86, 1.8/3133=59...(16) HG LEU 70 + H LEU 70 OK 93 95 100 98 2.0-3.8 3150=51, 3.0/3142=47...(15) HD3 LYS 66 - H LEU 70 far 0 97 0 - 4.6-7.8 Violated in 1 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 2.0-3.8 3150=55, 3.0/3142=47...(15) HB3 LEU 70 + H LEU 70 OK 94 95 100 99 2.1-3.6 3142=80, 1.8/3133=59...(16) HD2 LYS 73 - H LEU 70 far 0 75 0 - 4.2-7.7 HD3 LYS 73 - H LEU 70 far 0 71 0 - 4.4-7.7 HD3 LYS 66 - H LEU 70 far 0 100 0 - 4.6-7.8 Violated in 1 structures by 0.00 A. Peak 7153 from nnoeabs.peaks (0.81, 7.96, 119.43 ppm; 3.82 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 3.1-4.2 2.1/3150=69, 3.1/3142=64...(19) QD2 LEU 70 + H LEU 70 OK 99 99 100 100 2.0-4.1 3166=72, 2.1/3150=69...(16) QD2 LEU 38 - H LEU 70 far 0 100 0 - 5.0-7.5 QD1 ILE 76 - H LEU 70 far 0 96 0 - 7.2-9.1 QG2 VAL 32 - H LEU 70 far 0 96 0 - 8.7-9.9 QG2 ILE 8 - H LEU 70 far 0 79 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 7154 from nnoeabs.peaks (0.81, 7.96, 119.43 ppm; 3.82 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 2.0-4.1 3166=72, 2.1/3150=69...(16) QD1 LEU 70 + H LEU 70 OK 99 99 100 100 3.1-4.2 2.1/3150=69, 3.1/3142=64...(19) QD2 LEU 38 - H LEU 70 far 0 96 0 - 5.0-7.5 QD1 ILE 76 - H LEU 70 far 0 100 0 - 7.2-9.1 QD1 LEU 6 - H LEU 70 far 0 63 0 - 8.0-9.0 QG2 VAL 32 - H LEU 70 far 0 87 0 - 8.7-9.9 QG2 ILE 8 - H LEU 70 far 0 91 0 - 9.1-10.6 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=57...(16) 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=45...(16) H LEU 42 - H PHE 45 far 0 71 0 - 4.8-5.1 H LEU 42 - H ALA 71 far 0 100 0 - 7.3-8.8 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 3.5-3.6 3.6=100 HA GLU 69 + H ALA 71 OK 54 85 65 97 4.2-5.2 3.6/7157=64...(13) HB2 SER 49 - H PHE 45 far 0 36 0 - 6.6-10.0 HA GLU 75 - H ALA 71 far 0 93 0 - 7.5-8.5 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 9 assignments used, quality = 0.97: * HB2 LEU 70 + H ALA 71 OK 97 100 100 97 2.2-3.2 1.8/7160=53, 3140=46...(16) QB ALA 67 - H ALA 71 far 0 73 0 - 4.3-5.0 HG2 LYS 39 - H ALA 71 far 0 87 0 - 5.5-8.2 HG3 LYS 68 - H ALA 71 far 0 92 0 - 5.6-7.0 HG3 LYS 40 - H PHE 45 far 0 68 0 - 7.2-9.0 HG2 LYS 39 - H PHE 45 far 0 55 0 - 8.2-10.4 HB3 ARG 30 - H PHE 45 far 0 71 0 - 8.5-10.4 HB3 LEU 2 - H PHE 45 far 0 39 0 - 9.7-11.7 HG12 ILE 8 - H ALA 71 far 0 100 0 - 9.9-11.7 Violated in 12 structures by 0.07 A. Peak 7160 from nnoeabs.peaks (1.72, 8.26, 119.60 ppm; 3.43 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 70 + H ALA 71 OK 100 100 100 100 2.1-3.7 1.8/7159=84, 3149=78...(15) HG LEU 70 - H ALA 71 poor 19 95 20 - 4.1-5.1 HD3 LYS 47 - H PHE 45 far 0 42 0 - 4.5-8.1 HD2 LYS 47 - H PHE 45 far 0 41 0 - 5.1-8.1 HD3 LYS 66 - H ALA 71 far 0 97 0 - 7.4-9.9 HB3 LYS 40 - H PHE 45 far 0 45 0 - 7.8-9.2 HB2 GLU 28 - H PHE 45 far 0 51 0 - 9.0-11.8 HB2 LEU 2 - H PHE 45 far 0 65 0 - 9.4-11.7 HB3 LEU 70 - H PHE 45 far 0 71 0 - 9.9-12.2 Violated in 6 structures by 0.04 A. Peak 7161 from nnoeabs.peaks (1.70, 8.26, 119.60 ppm; 3.43 A): 1 out of 11 assignments used, quality = 0.95: HB3 LEU 70 + H ALA 71 OK 95 95 100 100 2.1-3.7 1.8/7159=84, 3149=72...(15) ! HG LEU 70 - H ALA 71 poor 20 100 20 98 4.1-5.1 3.0/7159=62, 3.0/3149=48...(14) HD3 LYS 47 - H PHE 45 far 0 63 0 - 4.5-8.1 HD2 LYS 47 - H PHE 45 far 0 62 0 - 5.1-8.1 HD3 LYS 73 - H ALA 71 far 0 71 0 - 5.5-8.5 HD2 LYS 73 - H ALA 71 far 0 75 0 - 5.5-8.3 HB ILE 52 - H PHE 45 far 0 50 0 - 7.0-8.6 HD3 LYS 66 - H ALA 71 far 0 100 0 - 7.4-9.9 HB3 LYS 40 - H PHE 45 far 0 65 0 - 7.8-9.2 HB2 LEU 2 - H PHE 45 far 0 71 0 - 9.4-11.7 HB3 LEU 70 - H PHE 45 far 0 63 0 - 9.9-12.2 Violated in 6 structures by 0.04 A. Peak 7162 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 3.83 A): 3 out of 16 assignments used, quality = 1.00: * QD1 LEU 70 + H ALA 71 OK 89 100 90 99 3.7-4.8 3.1/7159=71, 3.1/7160=62...(14) QD2 LEU 70 + H ALA 71 OK 89 99 90 100 4.1-4.9 3.1/7159=71, 3.1/7160=62...(14) QD1 ILE 76 + H PHE 45 OK 56 65 95 91 3.6-4.8 9630/6741=42...(11) QG2 ILE 52 - H PHE 45 far 0 38 0 - 5.1-6.7 QD1 ILE 76 - H ALA 71 far 0 96 0 - 5.2-7.0 QD2 LEU 38 - H ALA 71 far 0 100 0 - 5.3-7.0 QD2 LEU 2 - H PHE 45 far 0 70 0 - 7.2-9.1 QG2 VAL 32 - H ALA 71 far 0 96 0 - 8.1-9.1 QG2 VAL 32 - H PHE 45 far 0 64 0 - 8.6-9.3 QD2 LEU 38 - H PHE 45 far 0 70 0 - 8.6-11.0 QG2 ILE 52 - H ALA 71 far 0 63 0 - 8.9-11.4 QG2 ILE 8 - H ALA 71 far 0 79 0 - 9.3-11.0 QD1 LEU 70 - H PHE 45 far 0 71 0 - 9.4-10.9 QD2 LEU 57 - H ALA 71 far 0 92 0 - 9.9-11.4 QD2 LEU 70 - H PHE 45 far 0 69 0 - 9.9-11.8 QD2 LEU 103 - H ALA 71 far 0 99 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 7163 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 3.83 A): 3 out of 18 assignments used, quality = 1.00: * QD2 LEU 70 + H ALA 71 OK 90 100 90 100 4.1-4.9 3.1/7159=71, 3.1/7160=62...(14) QD1 LEU 70 + H ALA 71 OK 89 99 90 99 3.7-4.8 3.1/7159=71, 3.1/7160=62...(14) QD1 ILE 76 + H PHE 45 OK 62 70 95 93 3.6-4.8 9630/6741=44...(12) QG2 ILE 52 - H PHE 45 far 0 49 0 - 5.1-6.7 QD1 ILE 76 - H ALA 71 far 0 100 0 - 5.2-7.0 QD2 LEU 38 - H ALA 71 far 0 96 0 - 5.3-7.0 QD1 LEU 6 - H PHE 45 far 0 38 0 - 5.6-6.8 QD1 LEU 6 - H ALA 71 far 0 63 0 - 6.4-7.8 QD2 LEU 2 - H PHE 45 far 0 71 0 - 7.2-9.1 QG2 VAL 32 - H ALA 71 far 0 87 0 - 8.1-9.1 QG2 VAL 32 - H PHE 45 far 0 55 0 - 8.6-9.3 QD2 LEU 38 - H PHE 45 far 0 65 0 - 8.6-11.0 QG2 ILE 52 - H ALA 71 far 0 79 0 - 8.9-11.4 QG2 ILE 8 - H ALA 71 far 0 91 0 - 9.3-11.0 QD1 LEU 70 - H PHE 45 far 0 69 0 - 9.4-10.9 QD2 LEU 57 - H ALA 71 far 0 98 0 - 9.9-11.4 QD2 LEU 70 - H PHE 45 far 0 71 0 - 9.9-11.8 QD2 LEU 103 - H ALA 71 far 0 93 0 - 10.0-19.9 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 9 assignments used, quality = 1.00: * HA ALA 71 + H ALA 71 OK 100 100 100 100 2.7-2.9 3.0=100 HA ALA 67 + H ALA 71 OK 58 99 70 83 3.5-4.3 7140/7157=34, 3174=22...(12) HA GLU 43 + H PHE 45 OK 21 38 70 79 3.7-4.6 3.6/6715=41, 2.9/6698=38...(6) HA LEU 38 - H ALA 71 far 0 81 0 - 6.9-9.0 HA LYS 40 - H PHE 45 far 0 61 0 - 7.0-7.6 HB3 SER 49 - H PHE 45 far 0 68 0 - 7.2-8.7 HA ALA 71 - H PHE 45 far 0 71 0 - 8.3-9.3 HA LEU 38 - H PHE 45 far 0 50 0 - 8.5-9.3 HA GLU 43 - H ALA 71 far 0 63 0 - 9.7-11.2 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 = 0.94: * QB ALA 71 + H ALA 71 OK 94 100 100 94 2.0-2.2 2.9=86, 7170/7166=37...(10) HG3 LYS 39 - H ALA 71 far 0 75 0 - 5.5-9.6 HG13 ILE 76 - H PHE 45 far 0 53 0 - 5.9-7.3 HG13 ILE 76 - H ALA 71 far 0 84 0 - 6.7-9.6 QB ALA 71 - H PHE 45 far 0 71 0 - 7.5-9.2 HB3 ARG 30 - H PHE 45 far 0 34 0 - 8.5-10.4 HG3 LYS 39 - H PHE 45 far 0 46 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 7166 from nnoeabs.peaks (7.91, 8.26, 119.60 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + H ALA 71 OK 100 100 100 100 2.5-2.9 7168=98, 7170/7165=53...(15) H GLU 69 - H ALA 71 far 5 100 5 - 3.9-4.8 H ASP 65 - H ALA 71 far 0 98 0 - 9.0-9.7 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 = 1.00: * H ALA 71 + H GLN 72 OK 100 100 100 100 2.5-2.9 7166=100, 7165/7170=53...(15) 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 3 assignments used, quality = 1.00: * HA ALA 71 + H GLN 72 OK 100 100 100 100 3.4-3.6 3.6=100 HA ALA 67 - H GLN 72 far 0 99 0 - 6.0-6.7 HA LEU 38 - H GLN 72 far 0 81 0 - 9.7-11.7 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 = 0.98: * QB ALA 71 + H GLN 72 OK 98 100 100 98 2.5-3.0 3181=75, 7165/7166=52...(17) HG13 ILE 76 - H GLN 72 far 0 84 0 - 6.4-9.0 HG3 LYS 39 - H GLN 72 far 0 75 0 - 7.2-11.4 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 - 5.0-5.2 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 = 1.00: * HB2 GLN 72 + H GLN 72 OK 100 100 100 100 3.3-3.6 3191=84, 1.8/7173=71...(12) HB3 GLU 69 - H GLN 72 far 0 63 0 - 5.0-5.7 HB2 GLU 69 - H GLN 72 far 0 63 0 - 5.2-5.8 HG2 GLU 69 - H GLN 72 far 0 63 0 - 5.9-7.0 HG2 GLU 75 - H GLN 72 far 0 99 0 - 6.8-8.7 HG3 GLU 75 - H GLN 72 far 0 99 0 - 7.1-8.8 HB2 GLU 75 - H GLN 72 far 0 81 0 - 8.1-8.8 HB3 GLU 75 - H GLN 72 far 0 84 0 - 8.2-8.7 HG3 GLU 35 - H GLN 72 far 0 71 0 - 9.2-12.9 HG2 GLU 35 - H GLN 72 far 0 71 0 - 9.5-13.1 HG2 GLU 43 - H GLN 72 far 0 85 0 - 9.8-12.6 Violated in 20 structures by 0.43 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 2.1-2.5 3200=79, 1.8/7172=65...(12) HG3 GLU 35 - H GLN 72 far 0 59 0 - 9.2-12.9 HG2 GLU 35 - H GLN 72 far 0 59 0 - 9.5-13.1 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 2.7-4.0 1.8/7175=78, 3.0/7173=70...(14) Violated in 5 structures by 0.03 A. Peak 7175 from nnoeabs.peaks (2.54, 7.91, 115.96 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + H GLN 72 OK 100 100 100 100 2.8-4.2 3218=68, 1.8/7174=68...(15) HG2 MET 74 - H GLN 72 far 0 99 0 - 4.9-6.4 Violated in 11 structures by 0.08 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 2.4-2.6 7196=100, 7198/7172=48...(15) H LYS 66 - H GLN 72 far 0 59 0 - 9.0-9.6 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): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 72 + HE21 GLN 72 OK 100 100 100 100 3.5-4.4 4.4=100 HG2 GLU 69 - HE21 GLN 72 poor 13 63 20 - 5.7-9.0 HB3 GLU 69 - HE21 GLN 72 poor 13 63 20 - 6.3-9.1 HB2 GLU 69 - HE21 GLN 72 far 6 63 10 - 6.8-9.9 HG2 GLU 75 - HE21 GLN 72 far 0 99 0 - 8.0-10.3 HG3 GLU 75 - HE21 GLN 72 far 0 99 0 - 8.3-11.7 HB2 GLU 75 - HE21 GLN 72 far 0 81 0 - 8.3-11.1 HB3 GLU 75 - HE21 GLN 72 far 0 84 0 - 9.5-11.9 HG2 GLU 104 - HE21 GLN 72 far 0 96 0 - 9.5-23.7 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 2.1-4.1 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 3.3-4.1 3.5=100 HG2 MET 74 - HE21 GLN 72 far 0 99 0 - 9.4-12.0 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 4.5-5.2 3187/3.5=88, 5.7=86...(7) HA LYS 73 - HE22 GLN 72 far 9 95 10 - 6.2-8.7 Violated in 0 structures by 0.00 A. Peak 7190 from nnoeabs.peaks (2.16, 7.44, 111.53 ppm; 5.23 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.6-5.3 4.4=100 HB3 GLU 69 + HE22 GLN 72 OK 21 63 35 97 5.2-7.6 3.0/9571=74, ~9570=50...(6) HG2 GLU 69 - HE22 GLN 72 far 10 63 15 - 4.7-7.7 HB2 GLU 69 - HE22 GLN 72 far 6 63 10 - 5.7-8.3 HG2 GLU 75 - HE22 GLN 72 far 0 99 0 - 8.0-10.4 HG3 GLU 75 - HE22 GLN 72 far 0 99 0 - 8.7-11.7 HB2 GLU 75 - HE22 GLN 72 far 0 81 0 - 9.0-11.0 HB3 GLU 75 - HE22 GLN 72 far 0 84 0 - 10.0-11.6 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 2.5-4.2 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 2.1-3.6 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 2.1-3.9 3.5=100 HG2 MET 74 - HE22 GLN 72 far 0 99 0 - 8.9-11.3 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 2.4-2.6 7178=80, 7172/7198=41...(15) H GLU 69 - H LYS 73 far 0 100 0 - 5.7-6.0 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 3.5-3.6 3.6=76, 3.0/7196=54...(11) 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 = 0.99: * HB2 GLN 72 + H LYS 73 OK 99 100 100 99 2.7-3.8 1.8/7199=69, 3199=68...(11) HB3 GLU 69 - H LYS 73 far 0 63 0 - 4.5-5.2 HB2 GLU 69 - H LYS 73 far 0 63 0 - 5.2-5.7 HG2 GLU 75 - H LYS 73 far 0 99 0 - 5.6-8.0 HG3 GLU 75 - H LYS 73 far 0 99 0 - 5.9-7.5 HG2 GLU 69 - H LYS 73 far 0 63 0 - 6.6-7.2 HB2 GLU 75 - H LYS 73 far 0 81 0 - 7.2-8.0 HB3 GLU 75 - H LYS 73 far 0 84 0 - 7.4-8.2 HG3 GLU 35 - H LYS 73 far 0 71 0 - 9.1-13.1 HG2 GLU 35 - H LYS 73 far 0 71 0 - 9.3-12.5 HG2 GLU 43 - H LYS 73 far 0 85 0 - 9.5-11.8 Violated in 15 structures by 0.09 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 2.6-3.1 1.8/7198=77, 3208=74...(12) HG3 GLU 35 - H LYS 73 far 0 59 0 - 9.1-13.1 HG2 GLU 35 - H LYS 73 far 0 59 0 - 9.3-12.5 Violated in 0 structures by 0.00 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 4.6-4.9 3.0/7198=83, 3.0/7199=81...(9) Violated in 18 structures by 0.09 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 4.4-5.2 3.0/7198=79, 3.0/7199=77...(9) HG2 MET 74 + H LYS 73 OK 97 99 100 98 3.8-5.1 7228/7213=72...(10) Violated in 1 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 97 3.5-3.6 3.6=63, 3.0/7196=48...(11) 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 3 assignments used, quality = 1.00: * HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.1-2.6 3238=37, 2.9/7208=35...(28) HB3 LYS 73 + H LYS 73 OK 96 100 100 96 3.5-3.6 3249=36, 2.9/7208=35...(26) HB3 MET 74 - H LYS 73 far 0 100 0 - 4.7-6.3 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 3 assignments used, quality = 1.00: HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.1-2.6 3238=37, 2.9/7208=35...(28) * HB3 LYS 73 + H LYS 73 OK 96 100 100 96 3.5-3.6 3249=36, 2.9/7208=35...(26) HB3 MET 74 - H LYS 73 far 0 100 0 - 4.7-6.3 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 5 assignments used, quality = 1.00: * HG2 LYS 73 + H LYS 73 OK 100 100 100 100 2.5-4.1 3260=94, 1.8/7208=85...(27) HG LEU 38 - H LYS 73 far 0 71 0 - 8.5-11.8 HB2 LEU 38 - H LYS 73 far 0 63 0 - 9.0-12.1 HG2 LYS 66 - H LYS 73 far 0 100 0 - 9.1-11.5 HG12 ILE 56 - H LYS 73 far 0 59 0 - 9.9-12.0 Violated in 7 structures by 0.03 A. Peak 7208 from nnoeabs.peaks (1.60, 7.84, 119.03 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 2.4-3.5 3271=66, 1.8/7207=60...(32) HD2 LYS 66 - H LYS 73 far 0 100 0 - 9.4-12.8 Violated in 2 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 4.1-4.9 3.0/7208=76, 3.0/7207=68...(37) HD3 LYS 73 + H LYS 73 OK 100 100 100 100 4.4-5.1 3.0/7208=76, 3.0/7207=68...(37) HG LEU 70 - H LYS 73 far 0 75 0 - 5.7-7.1 HB ILE 76 - H LYS 73 far 0 88 0 - 6.4-7.3 HD2 LYS 39 - H LYS 73 far 0 98 0 - 6.4-9.5 HD2 LYS 68 - H LYS 73 far 0 96 0 - 6.6-9.8 HD3 LYS 39 - H LYS 73 far 0 84 0 - 7.4-9.3 HG2 LYS 68 - H LYS 73 far 0 85 0 - 7.8-9.2 HD3 LYS 68 - H LYS 73 far 0 96 0 - 8.1-10.3 HD3 LYS 66 - H LYS 73 far 0 70 0 - 8.4-12.0 Violated in 1 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 = 0.97: HD2 LYS 73 + H LYS 73 OK 90 100 90 100 4.1-4.9 3.0/7208=69, 3.0/7207=61...(37) * HD3 LYS 73 + H LYS 73 OK 70 100 70 100 4.4-5.1 3.0/7208=69, 3.0/7207=61...(37) HG LEU 70 - H LYS 73 far 0 71 0 - 5.7-7.1 HB ILE 76 - H LYS 73 far 0 91 0 - 6.4-7.3 HD2 LYS 39 - H LYS 73 far 0 99 0 - 6.4-9.5 HD2 LYS 68 - H LYS 73 far 0 98 0 - 6.6-9.8 HD3 LYS 39 - H LYS 73 far 0 87 0 - 7.4-9.3 HG2 LYS 68 - H LYS 73 far 0 88 0 - 7.8-9.2 HD3 LYS 68 - H LYS 73 far 0 97 0 - 8.1-10.3 HD3 LYS 66 - H LYS 73 far 0 65 0 - 8.4-12.0 Violated in 14 structures by 0.09 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 5.2-6.4 4.0/7208=89, 4.0/7207=84...(26) HE3 LYS 73 + H LYS 73 OK 100 100 100 100 5.2-6.5 4.0/7208=89, 4.0/7207=84...(26) 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 5.2-6.5 4.0/7208=89, 4.0/7207=84...(26) HE2 LYS 73 + H LYS 73 OK 100 100 100 100 5.2-6.4 4.0/7208=89, 4.0/7207=84...(26) HE2 LYS 68 - H LYS 73 far 0 65 0 - 6.8-10.8 HE3 LYS 68 - H LYS 73 far 0 61 0 - 7.8-11.1 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 2.4-2.7 7215=79, 10826/7196=28...(17) H VAL 78 - H LYS 73 far 0 99 0 - 8.0-9.4 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 1 assignment used, quality = 1.00: * H LYS 73 + H MET 74 OK 100 100 100 100 2.4-2.7 7213=100, 7196/10826=34...(17) 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 3.8-4.3 3.6/7213=59, 10848=51...(13) 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 2.4-3.6 1.8/7226=50, 4.0=43...(14) * HB2 LYS 73 + H MET 74 OK 79 100 85 93 2.7-4.1 4.1/7213=32, 4.6=28...(18) HB3 LYS 73 + H MET 74 OK 68 100 75 91 3.3-4.3 4.1/7213=32, 4.6=28...(15) HB3 ARG 46 - H MET 74 far 0 100 0 - 7.6-10.1 HB2 ARG 46 - H MET 74 far 0 95 0 - 7.8-10.3 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 2.4-3.6 1.8/7226=50, 4.0=43...(14) HB2 LYS 73 + H MET 74 OK 79 100 85 93 2.7-4.1 4.1/7213=32, 4.6=28...(18) * HB3 LYS 73 + H MET 74 OK 68 100 75 91 3.3-4.3 4.1/7213=32, 4.6=28...(15) HB3 ARG 46 - H MET 74 far 0 100 0 - 7.6-10.1 HB2 ARG 46 - H MET 74 far 0 94 0 - 7.8-10.3 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 2.6-5.2 7207/7213=85...(15) HB2 LEU 38 - H MET 74 far 0 63 0 - 8.7-11.6 HG LEU 38 - H MET 74 far 0 71 0 - 8.8-11.7 Violated in 11 structures by 0.04 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 2.3-5.1 7208/7213=89...(16) Violated in 2 structures by 0.01 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 95 100 95 100 3.8-6.2 3.0/7220=71, 3.0/7219=69...(11) HB ILE 76 + H MET 74 OK 88 88 100 100 4.6-5.4 4.0/9583=66, 3.0/9591=62...(15) HD3 LYS 73 + H MET 74 OK 70 100 70 100 4.0-6.6 3.0/7220=71, 3.0/7219=69...(11) HD2 LYS 39 - H MET 74 far 15 98 15 - 5.5-8.6 HD3 LYS 39 - H MET 74 far 0 84 0 - 6.3-8.5 HG LEU 70 - H MET 74 far 0 75 0 - 6.6-7.8 HD2 LYS 68 - H MET 74 far 0 96 0 - 8.2-12.2 HD3 LYS 68 - H MET 74 far 0 96 0 - 9.4-12.3 HG2 LYS 68 - H MET 74 far 0 85 0 - 9.9-11.2 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 94 100 95 99 3.8-6.2 3.0/7220=66, 3.0/7219=64...(11) HB ILE 76 + H MET 74 OK 90 91 100 100 4.6-5.4 4.0/9583=61, 3.0/9591=56...(15) * HD3 LYS 73 + H MET 74 OK 60 100 60 99 4.0-6.6 3.0/7220=66, 3.0/7219=64...(11) HD2 LYS 39 - H MET 74 far 15 99 15 - 5.5-8.6 HD3 LYS 39 - H MET 74 far 0 87 0 - 6.3-8.5 HG LEU 70 - H MET 74 far 0 71 0 - 6.6-7.8 HD2 LYS 68 - H MET 74 far 0 98 0 - 8.2-12.2 HD3 LYS 68 - H MET 74 far 0 97 0 - 9.4-12.3 HG2 LYS 68 - H MET 74 far 0 88 0 - 9.9-11.2 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 2.9-2.9 3.0=100 HA ILE 76 - H MET 74 far 0 85 0 - 6.2-6.7 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 2.4-3.7 4.0=75, 1.8/7230=75...(14) HB3 LEU 38 - H MET 74 far 0 99 0 - 8.4-11.8 HB3 GLU 43 - H MET 74 far 0 100 0 - 9.6-11.1 HB3 GLU 35 - H MET 74 far 0 94 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 7227 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + H MET 74 OK 97 100 100 97 2.4-3.6 1.8/7226=50, 4.0=43...(15) HB2 LYS 73 + H MET 74 OK 79 100 85 93 2.7-4.1 4.1/7213=32, 4.6=28...(18) HB3 LYS 73 + H MET 74 OK 68 100 75 91 3.3-4.3 4.1/7213=32, 4.6=28...(15) QE MET 74 - H MET 74 far 3 59 5 - 3.9-4.9 HB3 ARG 46 - H MET 74 far 0 100 0 - 7.6-10.1 HB2 ARG 46 - H MET 74 far 0 98 0 - 7.8-10.3 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 1.9-3.2 1.8/7229=72, 3350=71...(20) HG3 GLN 72 - H MET 74 far 0 99 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 7229 from nnoeabs.peaks (2.62, 7.75, 115.79 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 74 + H MET 74 OK 100 100 100 100 2.9-3.8 1.8/7228=75, 2.9/7230=59...(21) HB3 ASP 77 - H MET 74 far 0 98 0 - 9.3-10.5 Violated in 6 structures by 0.02 A. Peak 7230 from nnoeabs.peaks (2.00, 7.75, 115.79 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.59: HB3 MET 74 + H MET 74 OK 59 59 100 100 2.4-3.6 4.0=72, 1.8/7226=71...(15) ! QE MET 74 - H MET 74 far 15 100 15 - 3.9-4.9 HB2 ARG 46 - H MET 74 far 0 82 0 - 7.8-10.3 HB2 GLU 35 - H MET 74 far 0 100 0 - 10.0-13.5 Violated in 3 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 2.3-2.5 7233=94, 4.3/7230=38...(17) H LYS 39 - H MET 74 far 0 100 0 - 8.6-10.2 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 2 assignments used, quality = 1.00: * H MET 74 + H GLU 75 OK 100 100 100 100 2.3-2.5 7231=100, 7230/4.3=39...(17) H VAL 78 - H GLU 75 far 0 99 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 7234 from nnoeabs.peaks (4.40, 8.08, 116.25 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 74 + H GLU 75 OK 100 100 100 100 3.1-3.4 3.6=100 HA ILE 76 - H GLU 75 far 0 85 0 - 5.2-5.4 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 1 assignment used, quality = 1.00: * HB2 MET 74 + H GLU 75 OK 100 100 100 100 3.4-4.4 4.3=100 Violated in 0 structures by 0.00 A. Peak 7236 from nnoeabs.peaks (1.96, 8.08, 116.25 ppm; 4.42 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + H GLU 75 OK 100 100 100 100 3.3-4.3 4.3=100 HB3 LYS 73 + H GLU 75 OK 81 100 90 90 4.8-5.4 4.6/7231=53...(9) HB2 LYS 73 + H GLU 75 OK 74 100 80 92 4.7-5.5 4.6/7231=53...(9) QE MET 74 - H GLU 75 far 0 59 0 - 5.3-6.4 HB2 ARG 46 - H GLU 75 far 0 98 0 - 7.4-10.3 HB3 ARG 46 - H GLU 75 far 0 100 0 - 7.6-10.1 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 4.2-5.1 4.8=100 HG3 GLN 72 + H GLU 75 OK 41 99 45 93 5.3-7.0 7175/10827=73...(5) 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 4.8-5.4 4.8=100 HB3 ASP 77 - H GLU 75 far 0 98 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 7239 from nnoeabs.peaks (2.00, 8.08, 116.25 ppm; 4.77 A): 1 out of 3 assignments used, quality = 0.59: HB3 MET 74 + H GLU 75 OK 59 59 100 100 3.3-4.3 4.3=100 ! QE MET 74 - H GLU 75 poor 19 100 20 94 5.3-6.4 3367/3.6=66...(6) HB2 ARG 46 - H GLU 75 far 0 82 0 - 7.4-10.3 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 - 6.1-7.1 HA GLU 69 - H GLU 75 far 0 100 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (2.13, 8.08, 116.25 ppm; 3.50 A): 3 out of 6 assignments used, quality = 0.98: * HB2 GLU 75 + H GLU 75 OK 93 100 100 93 3.1-4.0 4.0=65, 4.1/7247=39...(12) HG2 GLU 75 + H GLU 75 OK 54 63 100 86 2.6-4.2 5.0=34, 1.8/3402=24...(15) HG3 GLU 75 + H GLU 75 OK 51 59 100 85 2.5-4.1 5.0=34, 1.8/3402=24...(15) HB2 GLN 72 - H GLU 75 far 0 81 0 - 4.6-5.3 HB3 GLU 69 - H GLU 75 far 0 99 0 - 8.4-9.0 HB2 GLU 69 - H GLU 75 far 0 99 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 7242 from nnoeabs.peaks (2.19, 8.08, 116.25 ppm; 3.57 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + H GLU 75 OK 95 100 100 95 3.5-4.0 4.0=69, 4.1/7247=41...(13) HG3 GLU 75 + H GLU 75 OK 89 96 100 92 2.5-4.1 5.0=36, 3403/2.9=26...(16) HG2 GLU 75 + H GLU 75 OK 87 95 100 92 2.6-4.2 5.0=36, 3403/2.9=26...(16) HB2 GLN 72 - H GLU 75 far 0 84 0 - 4.6-5.3 HG2 GLU 43 - H GLU 75 far 0 100 0 - 8.7-11.1 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 6 assignments used, quality = 1.00: * HG2 GLU 75 + H GLU 75 OK 89 100 100 89 2.6-4.2 5.0=29, 3403/2.9=24...(16) HG3 GLU 75 + H GLU 75 OK 89 100 100 89 2.5-4.1 5.0=29, 3403/2.9=24...(16) HB3 GLU 75 + H GLU 75 OK 86 95 100 91 3.5-4.0 4.0=57, 4.1/7247=36...(12) HB2 GLU 75 + H GLU 75 OK 57 63 100 90 3.1-4.0 4.0=57, 4.1/7247=36...(12) HB2 GLN 72 - H GLU 75 far 0 99 0 - 4.6-5.3 HG2 GLU 43 - H GLU 75 far 0 96 0 - 8.7-11.1 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 6 assignments used, quality = 1.00: HG2 GLU 75 + H GLU 75 OK 89 100 100 89 2.6-4.2 5.0=29, 3403/2.9=24...(16) * HG3 GLU 75 + H GLU 75 OK 89 100 100 89 2.5-4.1 5.0=29, 3403/2.9=24...(16) HB3 GLU 75 + H GLU 75 OK 88 96 100 91 3.5-4.0 4.0=57, 4.1/7247=36...(12) HB2 GLU 75 + H GLU 75 OK 54 59 100 90 3.1-4.0 4.0=57, 4.1/7247=36...(12) HB2 GLN 72 - H GLU 75 far 0 99 0 - 4.6-5.3 HG2 GLU 43 - H GLU 75 far 0 97 0 - 8.7-11.1 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 2.6-3.1 7247=100, 7248/2.9=67...(14) 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 2.6-3.1 7245=80, 2.9/7248=59...(14) 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 2.5-3.1 3380=83, 2.9/7247=47...(14) HA LEU 70 - H ILE 76 far 0 93 0 - 6.9-8.0 HA GLU 69 - H ILE 76 far 0 100 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 7249 from nnoeabs.peaks (2.13, 7.56, 115.96 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 75 + H ILE 76 OK 99 100 100 99 4.2-4.5 4.1=89, 2.9/7248=73...(9) HG2 GLU 75 + H ILE 76 OK 23 63 40 89 4.6-5.7 4.0/7248=55, 5.0/7247=38...(11) HG3 GLU 75 - H ILE 76 poor 19 59 35 90 4.5-5.5 4.0/7248=55, 5.0/7247=38...(11) HB2 GLN 72 - H ILE 76 far 0 81 0 - 5.4-6.9 HB3 GLU 69 - H ILE 76 far 0 99 0 - 9.5-10.7 Violated in 20 structures by 0.19 A. Peak 7250 from nnoeabs.peaks (2.19, 7.56, 115.96 ppm; 4.14 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + H ILE 76 OK 100 100 100 100 3.8-4.4 4.1=100 HG2 GLU 75 + H ILE 76 OK 54 95 60 96 4.6-5.7 4.0/7248=59, 3401=46...(12) HG3 GLU 75 + H ILE 76 OK 51 96 55 96 4.5-5.5 4.0/7248=59, 5.0/7247=42...(12) HB2 GLN 72 - H ILE 76 far 0 84 0 - 5.4-6.9 HG2 GLU 43 - H ILE 76 far 0 100 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 7251 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 3.83 A): 2 out of 6 assignments used, quality = 0.98: HB3 GLU 75 + H ILE 76 OK 94 95 100 99 3.8-4.4 4.1=81, 2.9/7248=70...(11) HB2 GLU 75 + H ILE 76 OK 63 63 100 99 4.2-4.5 4.1=81, 2.9/7248=70...(8) HG3 GLU 75 - H ILE 76 poor 20 100 20 - 4.5-5.5 ! HG2 GLU 75 - H ILE 76 far 10 100 10 - 4.6-5.7 HB2 GLN 72 - H ILE 76 far 0 99 0 - 5.4-6.9 HG2 GLU 43 - H ILE 76 far 0 96 0 - 8.4-10.7 Violated in 7 structures by 0.02 A. Peak 7252 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 3.83 A): 2 out of 6 assignments used, quality = 0.98: HB3 GLU 75 + H ILE 76 OK 96 96 100 99 3.8-4.4 4.1=81, 2.9/7248=70...(11) HB2 GLU 75 + H ILE 76 OK 58 59 100 99 4.2-4.5 4.1=81, 2.9/7248=70...(8) ! HG3 GLU 75 - H ILE 76 poor 19 100 20 93 4.5-5.5 4.0/7248=51, 5.0/7247=35...(12) HG2 GLU 75 - H ILE 76 far 10 100 10 - 4.6-5.7 HB2 GLN 72 - H ILE 76 far 0 99 0 - 5.4-6.9 HG2 GLU 43 - H ILE 76 far 0 97 0 - 8.4-10.7 Violated in 7 structures by 0.02 A. Peak 7253 from nnoeabs.peaks (4.43, 7.56, 115.96 ppm; 3.57 A): 2 out of 2 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 33 85 40 96 4.2-5.4 3.6/7247=48, 3.0/9644=41...(14) 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 2.5-2.9 3417=86, 2.1/7255=64...(14) HD2 LYS 73 - H ILE 76 far 0 88 0 - 6.8-9.9 HD3 LYS 73 - H ILE 76 far 0 91 0 - 7.0-10.2 HD2 LYS 68 - H ILE 76 far 0 99 0 - 8.4-14.0 HB ILE 52 - H ILE 76 far 0 84 0 - 8.5-11.4 HD2 LYS 39 - H ILE 76 far 0 99 0 - 8.6-11.7 HD3 LYS 68 - H ILE 76 far 0 100 0 - 9.0-13.9 HD3 LYS 39 - H ILE 76 far 0 100 0 - 9.1-11.2 HG2 LYS 68 - H ILE 76 far 0 100 0 - 10.0-12.7 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 3.8-4.0 3425=78, 2.1/7254=70...(16) QD1 LEU 38 - H ILE 76 far 0 88 0 - 7.4-10.7 QD1 LEU 103 - H ILE 76 far 0 93 0 - 9.5-19.1 Violated in 20 structures by 0.21 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 2.0-3.6 3433=80, 3.0/7254=54...(18) Violated in 3 structures by 0.01 A. Peak 7257 from nnoeabs.peaks (1.44, 7.56, 115.96 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 76 + H ILE 76 OK 100 100 100 100 2.1-4.2 1.8/7256=75, 3.0/7254=57...(17) QB ALA 71 + H ILE 76 OK 49 84 65 91 4.0-5.0 2.1/9649=46...(12) HG3 LYS 39 - H ILE 76 far 0 100 0 - 8.2-11.1 HG13 ILE 52 - H ILE 76 far 0 91 0 - 9.2-11.6 HG3 LYS 53 - H ILE 76 far 0 73 0 - 10.0-12.9 Violated in 2 structures by 0.00 A. Peak 7258 from nnoeabs.peaks (0.80, 7.56, 115.96 ppm; 4.25 A): 2 out of 9 assignments used, quality = 1.00: * QD1 ILE 76 + H ILE 76 OK 100 100 100 100 3.5-4.1 2.1/7256=87, 3449=85...(13) QD2 LEU 42 + H ILE 76 OK 50 70 85 85 4.1-5.4 12083/4.5=33...(8) QG2 ILE 52 - H ILE 76 far 0 90 0 - 6.1-7.6 QD2 LEU 70 - H ILE 76 far 0 100 0 - 7.7-8.8 QD1 LEU 70 - H ILE 76 far 0 96 0 - 7.7-9.3 QG1 VAL 54 - H ILE 76 far 0 59 0 - 8.0-9.4 QD1 LEU 6 - H ILE 76 far 0 77 0 - 8.6-9.7 QD2 LEU 103 - H ILE 76 far 0 84 0 - 9.0-18.4 QD2 LEU 38 - H ILE 76 far 0 90 0 - 9.7-11.4 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 4.4-4.6 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 4.4-4.6 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 2.2-2.3 3416=91, 3.2/7264=39...(12) HA GLN 50 - H ASP 77 far 0 77 0 - 6.9-9.2 HA GLU 48 - H ASP 77 far 0 100 0 - 8.2-10.7 HA MET 74 - H ASP 77 far 0 85 0 - 8.5-9.1 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 3.5-4.0 3424=99, 2.1/7264=76...(15) HB ILE 52 - H ASP 77 far 0 84 0 - 4.9-7.5 HB3 ARG 79 - H ASP 77 far 0 99 0 - 9.2-10.8 HG3 LYS 47 - H ASP 77 far 0 90 0 - 9.6-12.6 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 1.9-2.5 3432=93, 3.2/7262=64...(17) QD1 LEU 103 - H ASP 77 far 0 93 0 - 7.0-16.7 QD1 LEU 2 - H ASP 77 far 0 100 0 - 8.2-10.6 QD1 LEU 38 - H ASP 77 far 0 88 0 - 8.6-11.9 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 4.3-5.1 1.8/7266=90, 3.2/7264=85...(10) Violated in 3 structures by 0.00 A. Peak 7266 from nnoeabs.peaks (1.44, 8.89, 126.14 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 76 + H ASP 77 OK 100 100 100 100 4.2-5.1 3.2/7264=74, 3.8/7262=74...(10) QB ALA 71 - H ASP 77 poor 17 84 20 - 4.9-6.5 HG13 ILE 52 - H ASP 77 far 0 91 0 - 5.7-7.9 HG2 LYS 53 - H ASP 77 far 0 82 0 - 5.8-7.1 HG3 LYS 53 - H ASP 77 far 0 73 0 - 6.1-8.6 HD2 LYS 53 - H ASP 77 far 0 88 0 - 6.6-9.4 Violated in 5 structures by 0.11 A. Peak 7267 from nnoeabs.peaks (0.80, 8.89, 126.14 ppm; 4.97 A): 3 out of 7 assignments used, quality = 1.00: * QD1 ILE 76 + H ASP 77 OK 100 100 100 100 4.7-5.1 3456=88, 2.1/7266=84...(9) QG2 ILE 52 + H ASP 77 OK 70 90 100 78 2.9-4.3 9199/9671=29...(8) QD2 LEU 42 + H ASP 77 OK 47 70 85 80 5.1-6.2 12083/7266=38...(6) QD2 LEU 103 - H ASP 77 far 0 84 0 - 6.2-15.6 QG1 VAL 54 - H ASP 77 far 0 59 0 - 7.0-7.8 QD2 LEU 2 - H ASP 77 far 0 99 0 - 7.0-8.6 QD1 LEU 6 - H ASP 77 far 0 77 0 - 8.3-9.8 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...(9) HD3 ARG 46 - H ASP 77 far 0 96 0 - 6.8-9.7 Violated in 1 structures by 0.00 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 2.4-3.1 3467=99, 1.8/7269=72...(9) HG3 MET 74 - H ASP 77 far 0 98 0 - 8.1-10.1 Violated in 0 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 4.2-4.5 4.6=100 H SER 49 - H ASP 77 far 0 79 0 - 6.3-7.9 H MET 74 - H ASP 77 far 0 99 0 - 7.8-8.4 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 4.2-4.5 4.6=94, 3.0/7274=93...(9) 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 2 assignments used, quality = 0.95: * HA ASP 77 + H VAL 78 OK 95 100 100 95 2.1-2.2 3461=80, 3.0/7276=25...(9) HA HIS 105 - H VAL 78 far 0 87 0 - 9.0-18.8 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 3.7-4.5 4.4=100 HD3 ARG 46 - H VAL 78 far 0 96 0 - 9.7-12.3 Violated in 12 structures by 0.02 A. Peak 7276 from nnoeabs.peaks (2.63, 7.75, 122.84 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + H VAL 78 OK 100 100 100 100 4.2-4.5 3471=95, 3.0/7274=84...(8) HG3 MET 74 - H VAL 78 far 0 98 0 - 8.3-12.0 Violated in 20 structures by 0.26 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 - 7.2-7.6 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 = 0.99: * HB VAL 78 + H VAL 78 OK 99 100 100 99 2.9-4.0 3478=73, 2.1/7279=47...(13) HB ILE 56 - H VAL 78 far 0 95 0 - 8.0-9.2 HG3 ARG 46 - H VAL 78 far 0 100 0 - 8.8-12.1 HB2 GLU 104 - H VAL 78 far 0 79 0 - 8.9-18.8 HB2 LEU 42 - H VAL 78 far 0 82 0 - 9.4-10.6 Violated in 15 structures by 0.29 A. Peak 7279 from nnoeabs.peaks (0.72, 7.75, 122.84 ppm; 2.99 A): 2 out of 10 assignments used, quality = 0.98: * QG2 VAL 78 + H VAL 78 OK 95 100 100 95 2.4-3.7 2.1/7278=50, 4.0=42...(15) QG1 VAL 78 + H VAL 78 OK 62 87 75 95 2.2-4.0 2.1/7278=50, 4.0=42...(16) QD1 ILE 56 - H VAL 78 far 0 97 0 - 5.4-7.1 HG13 ILE 56 - H VAL 78 far 0 100 0 - 6.5-9.0 QD1 LEU 42 - H VAL 78 far 0 71 0 - 6.6-7.7 QD1 ILE 52 - H VAL 78 far 0 82 0 - 7.6-8.7 QD1 LEU 64 - H VAL 78 far 0 92 0 - 8.1-9.9 QD2 LEU 6 - H VAL 78 far 0 68 0 - 9.6-11.4 QG1 VAL 5 - H VAL 78 far 0 100 0 - 9.7-10.7 HG3 ARG 81 - H VAL 78 far 0 94 0 - 9.9-12.9 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 = 0.98: * QG1 VAL 78 + H VAL 78 OK 87 100 90 97 2.2-4.0 2.1/7278=53, 4.0=46...(16) QG2 VAL 78 + H VAL 78 OK 83 87 100 95 2.4-3.7 2.1/7278=53, 4.0=46...(13) QD2 LEU 42 - H VAL 78 far 0 91 0 - 5.2-5.9 QG2 ILE 52 - H VAL 78 far 0 71 0 - 5.4-7.1 QD1 ILE 56 - H VAL 78 far 0 61 0 - 5.4-7.1 QG1 VAL 54 - H VAL 78 far 0 96 0 - 6.1-6.8 HG13 ILE 56 - H VAL 78 far 0 75 0 - 6.5-9.0 QD1 LEU 6 - H VAL 78 far 0 85 0 - 7.6-8.9 QD1 LEU 64 - H VAL 78 far 0 100 0 - 8.1-9.9 QG1 VAL 5 - H VAL 78 far 0 93 0 - 9.7-10.7 HG3 ARG 81 - H VAL 78 far 0 100 0 - 9.9-12.9 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 3 assignments used, quality = 1.00: * H ARG 79 + H VAL 78 OK 100 100 100 100 4.3-4.4 4.6=94, 7284/3.0=89...(8) H VAL 54 + H VAL 78 OK 98 99 100 99 4.5-5.0 11101/3.0=78...(10) H LYS 53 - H VAL 78 far 0 73 0 - 7.8-8.5 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 4.3-4.4 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 = 0.95: * HA VAL 78 + H ARG 79 OK 95 100 100 95 2.2-2.4 3.6=61, 3.0/7285=37...(17) HA VAL 54 - H ARG 79 far 0 71 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 7285 from nnoeabs.peaks (1.78, 8.50, 125.64 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.99: * HB VAL 78 + H ARG 79 OK 99 100 100 99 2.3-3.8 3.0/7284=67, 2.1/7286=60...(17) HB ILE 56 - H ARG 79 far 0 95 0 - 4.7-6.4 HB2 GLU 104 - H ARG 79 far 0 79 0 - 8.3-18.8 HB2 LEU 42 - H ARG 79 far 0 82 0 - 10.0-11.8 Violated in 3 structures by 0.01 A. Peak 7286 from nnoeabs.peaks (0.72, 8.50, 125.64 ppm; 3.27 A): 2 out of 15 assignments used, quality = 0.98: * QG2 VAL 78 + H ARG 79 OK 97 100 100 97 2.2-4.1 2.1/7285=54, 3.2/7284=51...(20) QG1 VAL 78 + H ARG 79 OK 29 87 35 95 2.1-4.3 2.1/7285=54, 3.2/7284=51...(17) QD1 ILE 56 - H ARG 79 poor 19 97 20 - 3.7-5.4 HG13 ILE 56 - H ARG 79 far 5 100 5 - 3.7-6.8 QG1 VAL 5 - H ARG 79 far 0 100 0 - 6.2-7.3 HG3 ARG 81 - H ARG 79 far 0 94 0 - 6.4-9.4 QD1 LEU 64 - H ARG 79 far 0 92 0 - 7.0-8.2 QD1 LEU 42 - H ARG 79 far 0 71 0 - 7.1-8.7 QD2 LEU 6 - H ARG 79 far 0 68 0 - 7.5-9.4 QG1 VAL 58 - H ARG 79 far 0 100 0 - 7.6-9.3 QD1 ILE 8 - H ARG 79 far 0 98 0 - 7.7-9.9 QD1 ILE 52 - H ARG 79 far 0 82 0 - 8.3-9.4 QG2 ILE 93 - H ARG 79 far 0 79 0 - 9.1-10.2 QD2 LEU 27 - H ARG 79 far 0 99 0 - 9.4-10.6 HG13 ILE 93 - H ARG 79 far 0 90 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 7287 from nnoeabs.peaks (0.74, 8.50, 125.64 ppm; 3.30 A): 2 out of 18 assignments used, quality = 0.92: QG2 VAL 78 + H ARG 79 OK 84 87 100 97 2.2-4.1 2.1/7285=55, 3.2/7284=53...(20) * QG1 VAL 78 + H ARG 79 OK 48 100 50 97 2.1-4.3 2.1/7285=55, 3.2/7284=53...(20) QG1 VAL 54 - H ARG 79 poor 19 96 20 - 3.7-5.1 QD1 ILE 56 - H ARG 79 poor 15 61 25 - 3.7-5.4 HG13 ILE 56 - H ARG 79 far 8 75 10 - 3.7-6.8 QD2 LEU 42 - H ARG 79 far 0 91 0 - 5.2-6.8 QD1 LEU 6 - H ARG 79 far 0 85 0 - 5.4-7.5 QG1 VAL 5 - H ARG 79 far 0 93 0 - 6.2-7.3 HG3 ARG 81 - H ARG 79 far 0 100 0 - 6.4-9.4 QG2 ILE 52 - H ARG 79 far 0 71 0 - 6.4-8.5 QD1 LEU 64 - H ARG 79 far 0 100 0 - 7.0-8.2 QG1 VAL 58 - H ARG 79 far 0 85 0 - 7.6-9.3 QD1 ILE 8 - H ARG 79 far 0 65 0 - 7.7-9.9 QD1 LEU 27 - H ARG 79 far 0 88 0 - 7.9-9.7 QD1 ILE 93 - H ARG 79 far 0 87 0 - 8.8-10.4 QG2 ILE 93 - H ARG 79 far 0 100 0 - 9.1-10.2 QD2 LEU 27 - H ARG 79 far 0 96 0 - 9.4-10.6 HG13 ILE 93 - H ARG 79 far 0 100 0 - 9.7-12.6 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 = 1.00: * HB2 ARG 79 + H ARG 79 OK 100 100 100 100 2.3-3.9 4.1=85, 7299/7297=43...(16) HG LEU 103 - H ARG 79 far 0 94 0 - 6.9-16.0 HB2 LEU 103 - H ARG 79 far 0 96 0 - 8.3-16.5 Violated in 1 structures by 0.00 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 2.1-3.8 4.1=87, 9252/9692=41...(17) HB3 LYS 53 - H ARG 79 far 0 75 0 - 5.8-7.4 HB3 LEU 6 - H ARG 79 far 0 100 0 - 6.2-9.8 HD3 LYS 68 - H ARG 79 far 0 100 0 - 6.8-11.1 HG2 LYS 68 - H ARG 79 far 0 98 0 - 7.6-11.0 HB ILE 76 - H ARG 79 far 0 99 0 - 7.6-8.3 HD2 LYS 68 - H ARG 79 far 0 100 0 - 7.8-12.3 HB ILE 52 - H ARG 79 far 0 96 0 - 9.8-11.1 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 3.5-4.5 3.0/7289=56, 3.0/7290=55...(19) * HG2 ARG 79 + H ARG 79 OK 90 100 90 100 1.9-4.8 3.0/7289=56, 3.0/7290=55...(22) HG12 ILE 56 + H ARG 79 OK 49 100 60 81 2.8-6.8 6924/9697=33...(12) HD3 LYS 53 - H ARG 79 far 0 94 0 - 5.7-8.7 HG LEU 6 - H ARG 79 far 0 99 0 - 7.0-9.1 HB2 LEU 3 - H ARG 79 far 0 93 0 - 8.0-10.4 HG LEU 57 - H ARG 79 far 0 71 0 - 9.1-10.2 HB3 LEU 103 - H ARG 79 far 0 99 0 - 9.1-16.1 Violated in 3 structures by 0.01 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 3.5-4.5 3.0/7289=56, 3.0/7290=55...(19) HG2 ARG 79 + H ARG 79 OK 90 100 90 100 1.9-4.8 3.0/7289=56, 3.0/7290=55...(22) HG12 ILE 56 + H ARG 79 OK 49 100 60 81 2.8-6.8 6924/9697=33...(12) HD3 LYS 53 - H ARG 79 far 0 95 0 - 5.7-8.7 HG LEU 6 - H ARG 79 far 0 99 0 - 7.0-9.1 HB2 LEU 3 - H ARG 79 far 0 94 0 - 8.0-10.4 HG LEU 57 - H ARG 79 far 0 70 0 - 9.1-10.2 HB3 LEU 103 - H ARG 79 far 0 98 0 - 9.1-16.1 Violated in 3 structures by 0.01 A. Peak 7293 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 79 + H ARG 79 OK 100 100 100 100 2.6-4.8 3.8/7289=52, 3.8/7290=52...(21) * HD2 ARG 79 + H ARG 79 OK 95 100 95 100 1.8-5.2 3.8/7289=52, 3.8/7290=52...(21) HB2 PHE 96 - H ARG 79 far 0 82 0 - 8.3-9.7 HB3 HIS 105 - H ARG 79 far 0 100 0 - 9.0-19.2 HB3 HIS 106 - H ARG 79 far 0 94 0 - 9.5-20.2 Violated in 0 structures by 0.00 A. Peak 7294 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 79 + H ARG 79 OK 100 100 100 100 2.6-4.8 3.8/7289=52, 3.8/7290=52...(21) HD2 ARG 79 + H ARG 79 OK 95 100 95 100 1.8-5.2 3.8/7289=52, 3.8/7290=52...(21) HB2 PHE 96 - H ARG 79 far 0 85 0 - 8.3-9.7 HB3 HIS 105 - H ARG 79 far 0 99 0 - 9.0-19.2 HB3 HIS 106 - H ARG 79 far 0 92 0 - 9.5-20.2 Violated in 0 structures by 0.00 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 3.7-4.6 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 3.7-4.6 3.0/7298=83, 4.6=69...(13) H VAL 54 - H THR 80 far 0 99 0 - 7.3-8.7 H ALA 67 - H THR 80 far 0 93 0 - 8.0-9.2 Violated in 17 structures by 0.25 A. Peak 7298 from nnoeabs.peaks (4.71, 8.42, 118.08 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.91: * HA ARG 79 + H THR 80 OK 91 100 100 91 2.1-2.4 3.6=51, 3.0/7299=29...(12) HA LYS 82 - H THR 80 far 0 99 0 - 8.1-8.8 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 2.5-4.6 3.0/7298=77, 4.6=64...(13) HG LEU 103 - H THR 80 far 0 94 0 - 6.2-16.9 HB2 LEU 103 - H THR 80 far 0 96 0 - 8.6-17.5 Violated in 16 structures by 0.11 A. Peak 7300 from nnoeabs.peaks (1.65, 8.42, 118.08 ppm; 3.76 A): 2 out of 7 assignments used, quality = 0.99: * HB3 ARG 79 + H THR 80 OK 98 100 100 98 2.5-4.6 3.0/7298=73, 4.6=56...(13) HG2 LYS 68 + H THR 80 OK 21 98 30 73 4.0-8.0 10256/7307=39...(5) HD3 LYS 68 - H THR 80 far 15 100 15 - 3.5-7.0 HD2 LYS 68 - H THR 80 far 0 100 0 - 5.2-8.6 HB3 LEU 6 - H THR 80 far 0 100 0 - 8.1-11.8 HB ILE 76 - H THR 80 far 0 99 0 - 9.2-11.0 HB3 LYS 53 - H THR 80 far 0 75 0 - 9.7-11.2 Violated in 9 structures by 0.09 A. Peak 7301 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 3.80 A): 3 out of 7 assignments used, quality = 0.86: HG3 ARG 79 + H THR 80 OK 69 100 70 98 2.9-5.9 3.0/7299=55, 4.1/7298=54...(13) * HG2 ARG 79 + H THR 80 OK 39 100 40 98 3.7-5.5 3.0/7299=55, 4.1/7298=54...(14) HG12 ILE 56 + H THR 80 OK 28 100 30 94 4.1-8.1 12206/7307=49, ~10293=25...(13) HB3 LEU 103 - H THR 80 far 0 99 0 - 8.6-16.9 HD3 LYS 53 - H THR 80 far 0 94 0 - 8.7-11.9 HG LEU 57 - H THR 80 far 0 71 0 - 9.0-10.6 HG LEU 6 - H THR 80 far 0 99 0 - 9.4-11.7 Violated in 11 structures by 0.05 A. Peak 7302 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 3.80 A): 3 out of 7 assignments used, quality = 0.86: * HG3 ARG 79 + H THR 80 OK 69 100 70 98 2.9-5.9 3.0/7299=55, 4.1/7298=54...(13) HG2 ARG 79 + H THR 80 OK 39 100 40 98 3.7-5.5 3.0/7299=55, 4.1/7298=54...(14) HG12 ILE 56 + H THR 80 OK 28 100 30 94 4.1-8.1 12206/7307=49, ~10293=25...(13) HB3 LEU 103 - H THR 80 far 0 98 0 - 8.6-16.9 HD3 LYS 53 - H THR 80 far 0 95 0 - 8.7-11.9 HG LEU 57 - H THR 80 far 0 70 0 - 9.0-10.6 HG LEU 6 - H THR 80 far 0 99 0 - 9.4-11.7 Violated in 11 structures by 0.05 A. Peak 7303 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.88: * HD2 ARG 79 + H THR 80 OK 65 100 65 100 4.7-6.1 3.8/7299=70, 3.8/7300=60...(14) HD3 ARG 79 + H THR 80 OK 65 100 65 100 4.4-6.2 3.8/7299=70, 3.8/7300=60...(13) HB3 HIS 106 - H THR 80 far 0 94 0 - 6.5-18.5 HB3 HIS 105 - H THR 80 far 0 100 0 - 7.8-17.8 HB2 TRP 92 - H THR 80 far 0 79 0 - 9.4-11.7 HB2 PHE 96 - H THR 80 far 0 82 0 - 9.7-12.0 Violated in 10 structures by 0.04 A. Peak 7304 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.88: * HD3 ARG 79 + H THR 80 OK 65 100 65 100 4.4-6.2 3.8/7299=70, 3.8/7300=60...(13) HD2 ARG 79 + H THR 80 OK 65 100 65 100 4.7-6.1 3.8/7299=70, 3.8/7300=60...(14) HB3 HIS 106 - H THR 80 far 0 92 0 - 6.5-18.5 HB3 HIS 105 - H THR 80 far 0 99 0 - 7.8-17.8 HB2 TRP 92 - H THR 80 far 0 82 0 - 9.4-11.7 HB2 PHE 96 - H THR 80 far 0 85 0 - 9.7-12.0 Violated in 10 structures by 0.04 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 2.6-3.3 3564=79, 2.1/7307=62...(10) Violated in 0 structures by 0.00 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 3.6-4.0 4.0=79, 2.1/7306=73...(12) HG LEU 55 - H THR 80 far 0 96 0 - 6.3-7.6 QG1 VAL 83 - H THR 80 far 0 77 0 - 8.2-9.1 QG2 VAL 5 - H THR 80 far 0 70 0 - 8.6-9.7 QG2 VAL 83 - H THR 80 far 0 95 0 - 9.5-10.2 Violated in 17 structures by 0.13 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 3.9-4.5 4.6=96, 7311/2.9=92...(13) H LYS 82 - H THR 80 far 0 63 0 - 6.4-7.4 Violated in 0 structures by 0.00 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 3.9-4.5 4.6=100 H GLU 63 - H ARG 81 far 0 73 0 - 9.8-11.0 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 2.1-2.2 3563=78, 3.2/7313=36...(19) 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 1 assignment used, quality = 1.00: * HB THR 80 + H ARG 81 OK 100 100 100 100 3.7-4.1 3568=100, 2.1/7313=83...(17) Violated in 17 structures by 0.09 A. Peak 7313 from nnoeabs.peaks (0.98, 8.76, 122.84 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 80 + H ARG 81 OK 100 100 100 100 2.3-3.5 3573=79, 3.2/7311=57...(24) HG LEU 55 - H ARG 81 far 5 96 5 - 4.0-5.1 QG1 VAL 83 - H ARG 81 far 0 77 0 - 5.1-5.5 QG2 VAL 83 - H ARG 81 far 0 95 0 - 5.8-6.6 QG2 VAL 5 - H ARG 81 far 0 70 0 - 7.0-8.9 Violated in 2 structures by 0.01 A. Peak 7314 from nnoeabs.peaks (4.36, 8.76, 122.84 ppm; 3.80 A): 1 out of 3 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 - 8.9-10.3 HA SER 102 - H ARG 81 far 0 94 0 - 9.0-20.0 Violated in 0 structures by 0.00 A. Peak 7315 from nnoeabs.peaks (0.93, 8.76, 122.84 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.99: * HB2 ARG 81 + H ARG 81 OK 99 100 100 99 2.8-3.9 4.0=71, 1.8/7316=66...(17) HG LEU 55 - H ARG 81 poor 17 73 30 79 4.0-5.1 2.1/9280=44, ~9257=19...(12) QG2 VAL 83 - H ARG 81 far 0 75 0 - 5.8-6.6 QG2 VAL 5 - H ARG 81 far 0 97 0 - 7.0-8.9 QG1 VAL 32 - H ARG 81 far 0 84 0 - 9.1-10.2 Violated in 18 structures by 0.23 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 2.4-3.9 4.0=88, 1.8/7315=69...(19) HB3 LEU 55 - H ARG 81 far 0 77 0 - 6.4-7.4 HG2 LYS 82 - H ARG 81 far 0 100 0 - 6.7-7.7 Violated in 2 structures by 0.01 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 2.6-4.8 2.9/7316=61, 2.9/7315=55...(19) QD1 LEU 55 + H ARG 81 OK 99 99 100 99 2.4-4.6 9280=62, 9258/7311=47...(21) Violated in 0 structures by 0.00 A. Peak 7318 from nnoeabs.peaks (0.74, 8.76, 122.84 ppm; 3.64 A): 2 out of 17 assignments used, quality = 1.00: QD1 LEU 64 + H ARG 81 OK 99 100 100 99 3.2-4.5 10762/7313=57...(22) * HG3 ARG 81 + H ARG 81 OK 99 100 100 99 3.9-4.5 2.9/7316=53, 2.9/7315=49...(13) QG1 VAL 58 - H ARG 81 poor 19 93 20 - 3.8-5.3 QD1 ILE 56 - H ARG 81 far 0 73 0 - 4.5-6.0 QG2 VAL 78 - H ARG 81 far 0 94 0 - 5.0-8.4 HG13 ILE 56 - H ARG 81 far 0 85 0 - 5.3-7.1 QG1 VAL 78 - H ARG 81 far 0 100 0 - 5.5-8.6 QD1 ILE 8 - H ARG 81 far 0 77 0 - 5.5-7.2 QG1 VAL 5 - H ARG 81 far 0 98 0 - 6.1-7.1 QG1 VAL 54 - H ARG 81 far 0 90 0 - 6.8-7.9 QD1 LEU 6 - H ARG 81 far 0 75 0 - 7.6-8.7 QD2 LEU 42 - H ARG 81 far 0 82 0 - 8.0-9.7 QD1 ILE 93 - H ARG 81 far 0 77 0 - 8.0-9.1 HG13 ILE 93 - H ARG 81 far 0 100 0 - 8.1-11.2 QD2 LEU 14 - H ARG 81 far 0 75 0 - 8.2-9.2 QG2 ILE 93 - H ARG 81 far 0 99 0 - 9.2-10.8 QD1 LEU 27 - H ARG 81 far 0 79 0 - 10.0-11.6 Violated in 6 structures by 0.02 A. Peak 7319 from nnoeabs.peaks (1.73, 8.76, 122.84 ppm; 4.22 A): 2 out of 4 assignments used, quality = 0.88: * HD2 ARG 81 + H ARG 81 OK 70 100 70 100 2.9-5.6 3620/3.0=64, 3.4/7316=63...(14) HB ILE 56 + H ARG 81 OK 61 61 100 99 3.0-4.3 2.1/9735=63...(13) HB3 LYS 82 - H ARG 81 far 0 59 0 - 6.1-6.8 HB3 LEU 70 - H ARG 81 far 0 99 0 - 9.9-12.9 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 = 0.92: * HA ARG 81 + H LYS 82 OK 92 100 100 92 2.1-2.3 3.6=50, 3.0/7325=32...(15) HA ASP 61 - H LYS 82 far 0 100 0 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 7325 from nnoeabs.peaks (0.93, 8.72, 124.67 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.99: * HB2 ARG 81 + H LYS 82 OK 99 100 100 99 3.2-3.9 3.0/7324=72, 4.3=66...(11) QG2 VAL 83 - H LYS 82 far 0 75 0 - 5.4-5.8 HG LEU 55 - H LYS 82 far 0 73 0 - 7.1-8.6 QG2 VAL 5 - H LYS 82 far 0 97 0 - 9.9-12.0 Violated in 3 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: * HB3 ARG 81 + H LYS 82 OK 100 100 100 100 2.6-4.5 1.8/7325=76, 3.0/7324=74...(11) HG2 LYS 82 + H LYS 82 OK 90 100 90 100 4.2-4.8 2.9/7333=69, 2.9/7332=66...(15) HB3 LEU 55 - H LYS 82 far 0 77 0 - 9.8-11.1 Violated in 16 structures by 0.13 A. Peak 7327 from nnoeabs.peaks (0.43, 8.72, 124.67 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + H LYS 82 OK 100 100 100 100 4.4-5.3 4.8=97, 2.9/7325=83...(9) QD1 LEU 55 - H LYS 82 far 15 99 15 - 5.5-7.0 Violated in 17 structures by 0.27 A. Peak 7328 from nnoeabs.peaks (0.74, 8.72, 124.67 ppm; 3.46 A): 1 out of 11 assignments used, quality = 0.97: QD1 LEU 64 + H LYS 82 OK 97 100 100 97 2.8-3.7 2.1/10247=43, 10248=37...(15) ! HG3 ARG 81 - H LYS 82 far 10 100 10 - 3.4-5.8 QG1 VAL 58 - H LYS 82 far 0 93 0 - 5.3-6.0 QD1 ILE 56 - H LYS 82 far 0 73 0 - 7.3-9.2 QD1 ILE 8 - H LYS 82 far 0 77 0 - 7.4-8.8 QG2 VAL 78 - H LYS 82 far 0 94 0 - 8.0-11.4 QD2 LEU 14 - H LYS 82 far 0 75 0 - 8.4-9.4 QG1 VAL 78 - H LYS 82 far 0 100 0 - 8.8-11.7 QG1 VAL 5 - H LYS 82 far 0 98 0 - 8.8-9.9 HG13 ILE 56 - H LYS 82 far 0 85 0 - 9.0-10.5 QD1 ILE 93 - H LYS 82 far 0 77 0 - 9.6-10.8 Violated in 11 structures by 0.07 A. Peak 7329 from nnoeabs.peaks (1.73, 8.72, 124.67 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.59: HB3 LYS 82 + H LYS 82 OK 59 59 100 99 2.3-2.9 1.8/7332=71, 4.0=59...(15) ! HD2 ARG 81 - H LYS 82 poor 18 100 20 92 2.1-5.9 3.4/7325=42...(8) HB ILE 56 - H LYS 82 far 0 61 0 - 6.4-7.7 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 3.6-4.7 3629/7324=79...(10) HG2 GLU 63 - H LYS 82 far 0 98 0 - 9.4-10.8 Violated in 6 structures by 0.01 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 - 8.5-9.6 HA LEU 55 - H LYS 82 far 0 75 0 - 8.6-9.6 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 4 assignments used, quality = 1.00: * HB2 LYS 82 + H LYS 82 OK 100 100 100 100 2.3-3.1 1.8/7333=75, 3648=64...(17) QB ALA 67 - H LYS 82 far 0 100 0 - 6.5-7.3 HG3 LYS 68 - H LYS 82 far 0 100 0 - 7.1-10.5 QB ALA 89 - H LYS 82 far 0 100 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 7333 from nnoeabs.peaks (1.76, 8.72, 124.67 ppm; 3.16 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 82 + H LYS 82 OK 99 100 100 99 2.3-2.9 1.8/7332=64, 3659=60...(14) HD2 ARG 81 - H LYS 82 far 9 59 15 - 2.1-5.9 HB ILE 56 - H LYS 82 far 0 100 0 - 6.4-7.7 HB3 GLU 63 - H LYS 82 far 0 97 0 - 7.4-8.2 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: HB3 ARG 81 + H LYS 82 OK 100 100 100 100 2.6-4.5 1.8/7325=76, 3.0/7324=74...(11) * HG2 LYS 82 + H LYS 82 OK 90 100 90 100 4.2-4.8 2.9/7333=69, 2.9/7332=66...(15) HB3 LEU 55 - H LYS 82 far 0 68 0 - 9.8-11.1 Violated in 16 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 4.2-4.6 2.9/7333=83, 2.9/7332=80...(11) Violated in 19 structures by 0.15 A. Peak 7336 from nnoeabs.peaks (1.46, 8.72, 124.67 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.75: HB3 LEU 64 + H LYS 82 OK 75 75 100 99 3.6-4.6 3.1/7328=78...(13) HG LEU 64 - H LYS 82 far 5 91 5 - 4.9-6.3 ! HD2 LYS 82 - H LYS 82 far 0 100 0 - 5.9-6.1 HG12 ILE 7 - H LYS 82 far 0 68 0 - 9.0-9.7 HG3 ARG 91 - H LYS 82 far 0 100 0 - 9.7-14.4 Violated in 2 structures by 0.01 A. Peak 7337 from nnoeabs.peaks (1.57, 8.72, 124.67 ppm; 5.40 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 82 + H LYS 82 OK 100 100 100 100 4.8-5.3 3.5/7333=94, 3.5/7332=92...(15) HB2 ARG 79 - H LYS 82 far 0 70 0 - 7.5-9.8 HG2 ARG 79 - H LYS 82 far 0 73 0 - 7.6-11.2 HG12 ILE 56 - H LYS 82 far 0 68 0 - 7.8-10.4 HG3 ARG 79 - H LYS 82 far 0 75 0 - 7.9-11.0 Violated in 0 structures by 0.00 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 4.4-4.6 4.5=99 Violated in 18 structures by 0.05 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): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + H VAL 83 OK 100 100 100 100 4.4-4.6 4.5=100 H ARG 81 - H VAL 83 far 0 63 0 - 6.1-6.5 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, 10228/9803=30...(15) 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 4.0-4.3 3.0/7343=81, 4.6=73...(14) QB ALA 89 + H VAL 83 OK 24 100 25 96 4.7-6.2 9931/7354=73...(7) HG LEU 14 - H VAL 83 far 0 100 0 - 6.8-8.3 QB ALA 67 - H VAL 83 far 0 100 0 - 7.4-8.3 HG12 ILE 8 - H VAL 83 far 0 92 0 - 8.9-10.1 Violated in 1 structures by 0.00 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 3.7-4.3 3.0/7343=85, 4.6=82...(12) HD2 ARG 81 - H VAL 83 far 3 59 5 - 4.9-9.3 HB3 GLU 63 - H VAL 83 far 0 97 0 - 6.7-7.3 HB ILE 56 - H VAL 83 far 0 100 0 - 7.8-9.0 Violated in 1 structures by 0.00 A. Peak 7346 from nnoeabs.peaks (1.06, 9.11, 122.38 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + H VAL 83 OK 100 100 100 100 2.8-3.8 1.8/7347=69, 3680=62...(16) HB3 ARG 81 - H VAL 83 far 0 100 0 - 5.6-6.7 HG2 ARG 91 - H VAL 83 far 0 96 0 - 9.6-13.3 Violated in 8 structures by 0.01 A. Peak 7347 from nnoeabs.peaks (1.14, 9.11, 122.38 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + H VAL 83 OK 100 100 100 100 2.3-3.4 1.8/7346=78, 3691=69...(13) 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 6 assignments used, quality = 1.00: * HD2 LYS 82 + H VAL 83 OK 100 100 100 100 4.7-5.3 2.9/7346=91, 2.9/7347=90...(12) HB3 LEU 64 + H VAL 83 OK 35 75 50 93 5.5-6.5 7336/7340=61...(7) HG12 ILE 7 - H VAL 83 far 3 68 5 - 6.0-6.9 HG LEU 64 - H VAL 83 far 0 91 0 - 8.2-9.4 HG3 ARG 91 - H VAL 83 far 0 100 0 - 9.7-12.3 HB2 ARG 91 - H VAL 83 far 0 82 0 - 9.9-12.7 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 2 assignments used, quality = 1.00: * HD3 LYS 82 + H VAL 83 OK 100 100 100 100 4.3-5.4 3713=98, 2.9/7346=94...(13) HG12 ILE 56 - H VAL 83 far 0 68 0 - 9.7-11.1 Violated in 11 structures by 0.01 A. Peak 7352 from nnoeabs.peaks (4.80, 9.11, 122.38 ppm; 3.75 A): 1 out of 3 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 - 6.2-7.9 HA TRP 92 - H VAL 83 far 0 90 0 - 9.8-10.3 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 6 assignments used, quality = 1.00: * HB VAL 83 + H VAL 83 OK 100 100 100 100 3.6-3.9 4.0=97, 2.1/7354=86...(8) HB3 GLU 88 - H VAL 83 far 0 68 0 - 5.8-7.0 HG2 GLU 88 - H VAL 83 far 0 79 0 - 6.3-8.6 HB2 LEU 64 - H VAL 83 far 0 100 0 - 6.6-7.7 HB2 PRO 86 - H VAL 83 far 0 100 0 - 9.1-11.3 HB3 PRO 86 - H VAL 83 far 0 99 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 7354 from nnoeabs.peaks (0.96, 9.11, 122.38 ppm; 3.16 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 83 + H VAL 83 OK 100 100 100 100 1.9-2.3 3748=88, 2.1/3754=46...(15) HB2 ARG 81 - H VAL 83 far 0 75 0 - 5.5-6.9 QG2 THR 80 - H VAL 83 far 0 95 0 - 6.3-7.2 HG LEU 55 - H VAL 83 far 0 100 0 - 7.8-9.5 QG2 VAL 5 - H VAL 83 far 0 95 0 - 9.8-12.0 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 = 0.99: * QG1 VAL 83 + H VAL 83 OK 99 100 100 99 2.6-3.0 3754=73, 2.1/3748=72...(13) QG2 THR 80 - H VAL 83 far 0 77 0 - 6.3-7.2 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 4.3-4.5 4.6=100 H ILE 56 - H VAL 83 far 0 98 0 - 8.6-10.1 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 4.3-4.5 4.6=96, 3.0/7359=91...(7) Violated in 3 structures by 0.00 A. Peak 7359 from nnoeabs.peaks (4.80, 9.20, 113.18 ppm; 2.84 A): 1 out of 3 assignments used, quality = 0.92: * HA VAL 83 + H THR 84 OK 92 100 100 92 2.2-2.6 3.6=51, 3.2/7361=30...(10) HA ASN 60 - H THR 84 far 0 96 0 - 8.1-10.0 HA TRP 92 - H THR 84 far 0 90 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7360 from nnoeabs.peaks (2.11, 9.20, 113.18 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 83 + H THR 84 OK 100 100 100 100 2.0-3.1 3747=69, 3.0/7359=68...(14) HG2 GLU 88 + H THR 84 OK 32 79 45 90 2.6-5.8 3.0/9831=39, 1.8/9832=32...(9) HB3 GLU 88 - H THR 84 poor 19 68 30 93 3.6-5.1 1.8/9831=47, 3.0/9921=30...(11) HB2 PRO 86 - H THR 84 far 0 100 0 - 8.4-9.2 HB3 PRO 86 - H THR 84 far 0 99 0 - 8.7-9.4 HB2 LEU 64 - H THR 84 far 0 100 0 - 9.7-11.4 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 3 assignments used, quality = 1.00: * QG2 VAL 83 + H THR 84 OK 100 100 100 100 3.1-3.8 4.0=83, 3.2/7359=70...(14) HB2 ARG 81 - H THR 84 far 0 75 0 - 7.6-9.0 QG2 THR 80 - H THR 84 far 0 95 0 - 9.7-10.6 Violated in 6 structures by 0.01 A. Peak 7362 from nnoeabs.peaks (1.01, 9.20, 113.18 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.99: * QG1 VAL 83 + H THR 84 OK 99 100 100 99 3.4-4.0 4.0=99 QG2 THR 80 - H THR 84 far 0 77 0 - 9.7-10.6 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 1 assignment used, quality = 1.00: * HA THR 84 + H THR 84 OK 100 100 100 100 2.9-2.9 3.0=100 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 1 assignment used, quality = 1.00: * HB THR 84 + H THR 84 OK 100 100 100 100 2.6-3.7 4.0=100 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 2.1-3.4 3770=77, 3763/3.0=62...(7) QB ALA 18 - H THR 84 far 0 96 0 - 8.8-9.8 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 2.0-2.6 7368=72, 4.3/7365=27...(13) 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 2.0-2.6 7366=100, 7365/4.3=35...(14) 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 1 assignment used, quality = 1.00: * HA THR 84 + H SER 85 OK 100 100 100 100 3.0-3.5 3.6=100 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 3.5-4.4 4.7=100 HA SER 9 - H SER 85 far 0 99 0 - 9.3-11.0 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 2.1-4.4 4.3=100 QB ALA 18 - H SER 85 far 0 96 0 - 7.4-9.2 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 - 9.8-11.6 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 2.4-3.5 4.0=100 HA ALA 89 - H SER 85 far 0 100 0 - 6.0-7.1 HB3 SER 9 - H SER 85 far 0 88 0 - 7.5-10.2 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 3.6-4.0 4.0=100 HB2 SER 59 - H SER 85 far 4 73 5 - 5.7-8.0 HA ASP 87 - H SER 85 far 0 71 0 - 7.1-7.6 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 3.5-3.6 3.5=100 HA GLU 17 - H ASP 87 far 0 63 0 - 7.5-9.7 Violated in 0 structures by 0.00 A. Peak 7377 from nnoeabs.peaks (2.12, 8.13, 115.38 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 86 + H ASP 87 OK 97 100 100 97 3.2-4.2 3.9=66, 2.3/7380=45...(18) HB3 PRO 86 + H ASP 87 OK 94 96 100 98 3.0-4.1 3.9=66, 2.3/7380=45...(17) HG2 GLU 88 - H ASP 87 far 0 90 0 - 4.6-6.8 HB VAL 83 - H ASP 87 far 0 100 0 - 5.9-6.6 QE MET 21 - H ASP 87 far 0 91 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (2.10, 8.13, 115.38 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 86 + H ASP 87 OK 98 100 100 98 3.0-4.1 3.9=69, 2.3/7380=47...(17) HB2 PRO 86 + H ASP 87 OK 94 96 100 97 3.2-4.2 3.9=69, 2.3/7380=47...(18) HG2 GLU 88 - H ASP 87 far 0 63 0 - 4.6-6.8 HB3 GLU 88 - H ASP 87 far 0 82 0 - 4.8-6.4 HB VAL 83 - H ASP 87 far 0 99 0 - 5.9-6.6 QE MET 21 - H ASP 87 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 7379 from nnoeabs.peaks (1.69, 8.13, 115.38 ppm; 4.83 A): 2 out of 7 assignments used, quality = 1.00: * HG2 PRO 86 + H ASP 87 OK 100 100 100 100 2.1-4.0 1.8/7380=91, 2.3/7378=49...(17) HD3 LYS 90 + H ASP 87 OK 50 100 50 100 4.1-7.2 ~10316=48, 10315/2.9=47...(14) HB3 ARG 91 - H ASP 87 far 0 99 0 - 6.3-8.8 HD2 LYS 13 - H ASP 87 far 0 99 0 - 8.0-11.7 HD3 LYS 13 - H ASP 87 far 0 99 0 - 8.8-12.4 HD3 LYS 20 - H ASP 87 far 0 94 0 - 9.7-14.0 HD2 LYS 20 - H ASP 87 far 0 96 0 - 9.9-13.6 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 = 1.00: * HG3 PRO 86 + H ASP 87 OK 100 100 100 100 2.1-4.0 3846=64, 2.3/7377=44...(14) HB3 GLU 16 - H ASP 87 far 0 77 0 - 9.5-13.4 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 99 100 100 99 3.8-3.9 2.3/7380=52, 3.8/9898=34...(18) * HD2 PRO 86 + H ASP 87 OK 99 100 100 99 2.6-2.7 2.3/7380=52, 3.8/9898=34...(18) 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 99 100 100 99 3.8-3.9 2.3/7380=52, 3.8/9898=34...(18) HD2 PRO 86 + H ASP 87 OK 99 100 100 99 2.6-2.7 2.3/7380=52, 3.8/9898=34...(18) 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 2.8-2.9 2.9=100 HB3 SER 85 + H ASP 87 OK 64 71 100 89 2.3-3.7 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 88 100 100 88 2.2-3.6 4.0=40, 1.8/3857=29...(14) HB3 ASP 87 + H ASP 87 OK 86 100 100 86 2.8-3.6 4.0=40, 1.8/3852=30...(13) HD2 ARG 91 - H ASP 87 far 0 99 0 - 6.8-9.6 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 88 100 100 88 2.2-3.6 4.0=40, 1.8/3857=29...(14) * HB3 ASP 87 + H ASP 87 OK 86 100 100 86 2.8-3.6 4.0=40, 1.8/3852=30...(13) HD2 ARG 91 - H ASP 87 far 0 99 0 - 6.8-9.6 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 2.4-2.9 7388=98, 7397/9897=32...(21) H LEU 14 - H ASP 87 far 0 93 0 - 8.0-8.9 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 2 assignments used, quality = 1.00: * H ASP 87 + H GLU 88 OK 100 100 100 100 2.4-2.9 7386=100, 9897/7397=32...(21) H TRP 92 - H GLU 88 far 0 100 0 - 5.7-6.4 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 3.5-3.6 3.6=100 HB3 SER 85 + H GLU 88 OK 68 71 100 96 3.0-4.6 1.8/8599=63, 3.0/8600=31...(14) Violated in 0 structures by 0.00 A. Peak 7390 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.98: * HB2 ASP 87 + H GLU 88 OK 92 100 100 92 2.5-4.0 8796=38, 4.0/7386=34...(16) HB3 ASP 87 + H GLU 88 OK 80 100 90 89 2.7-4.3 8796=37, 4.0/7386=34...(14) HG3 GLU 23 - H LYS 24 far 15 99 15 - 3.9-5.0 HD2 ARG 91 - H GLU 88 far 0 99 0 - 4.9-7.8 HG3 GLU 98 - H LYS 24 far 0 86 0 - 9.9-12.0 Violated in 2 structures by 0.02 A. Peak 7391 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.98: HB2 ASP 87 + H GLU 88 OK 92 100 100 92 2.5-4.0 8796=38, 4.0/7386=34...(16) * HB3 ASP 87 + H GLU 88 OK 80 100 90 89 2.7-4.3 8796=37, 4.0/7386=34...(14) HG3 GLU 23 - H LYS 24 far 15 99 15 - 3.9-5.0 HD2 ARG 91 - H GLU 88 far 0 99 0 - 4.9-7.8 HG3 GLU 98 - H LYS 24 far 0 86 0 - 9.9-12.0 Violated in 2 structures by 0.02 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 2.8-2.9 3.0=100 HA LEU 14 - H GLU 88 far 0 88 0 - 6.7-8.1 HA LYS 90 - H GLU 88 far 0 99 0 - 6.7-7.3 HA LYS 90 - H LYS 24 far 0 98 0 - 8.2-8.8 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 8 assignments used, quality = 1.00: * HB2 GLU 88 + H GLU 88 OK 100 100 100 100 2.2-2.9 3.9=69, 1.8/3879=61...(17) HB2 LYS 90 - H GLU 88 far 0 100 0 - 5.6-7.5 HB3 LYS 90 - H GLU 88 far 0 85 0 - 5.8-7.5 HB ILE 93 - H LYS 24 far 0 99 0 - 6.5-7.9 HB2 LYS 90 - H LYS 24 far 0 100 0 - 8.0-10.4 HB3 LYS 90 - H LYS 24 far 0 84 0 - 8.0-10.3 HB3 LEU 57 - H GLU 88 far 0 96 0 - 8.9-10.1 HB ILE 93 - H GLU 88 far 0 100 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 7394 from nnoeabs.peaks (2.08, 7.57, 120.01 ppm; 2.89 A): 3 out of 10 assignments used, quality = 0.99: * HB3 GLU 88 + H GLU 88 OK 96 100 100 96 2.2-3.6 1.8/7393=52, 3879=45...(15) HB2 GLU 23 + H LYS 24 OK 63 99 70 91 3.0-4.0 1.8/1034=37, 3.0/6377=36...(10) QE MET 21 + H LYS 24 OK 46 90 65 78 3.3-4.3 954/6373=23, 8540/3.0=21...(12) HB VAL 83 - H GLU 88 far 0 68 0 - 4.0-4.6 HB2 MET 21 - H LYS 24 far 0 81 0 - 4.9-5.9 HB3 PRO 86 - H GLU 88 far 0 82 0 - 4.9-6.1 QE MET 21 - H GLU 88 far 0 91 0 - 9.2-10.3 HB2 MET 21 - H GLU 88 far 0 82 0 - 9.2-10.5 HG2 GLU 28 - H LYS 24 far 0 96 0 - 9.7-12.6 HB2 GLU 16 - H LYS 24 far 0 100 0 - 10.0-12.6 Violated in 16 structures by 0.09 A. Peak 7395 from nnoeabs.peaks (2.14, 7.57, 120.01 ppm; 3.05 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 23 + H LYS 24 OK 92 97 100 94 2.5-3.0 1034=44, 3.0/6377=41...(11) * HG2 GLU 88 + H GLU 88 OK 83 100 85 98 2.5-4.1 3886=49, 3.0/7393=42...(14) HB VAL 83 - H GLU 88 far 0 79 0 - 4.0-4.6 HB3 PRO 86 - H GLU 88 far 0 63 0 - 4.9-6.1 HB2 PRO 86 - H GLU 88 far 0 90 0 - 5.0-6.1 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 11 assignments used, quality = 1.00: HB3 LYS 24 + H LYS 24 OK 88 92 100 96 2.1-3.6 1061=35, 1.8/1073=29...(25) HB2 LYS 24 + H LYS 24 OK 88 92 100 95 2.1-3.6 1061=35, 1.8/1061=29...(25) * HG3 GLU 88 + H GLU 88 OK 80 100 85 94 2.0-4.6 1.8/3886=35, 3.0/7393=34...(15) HB3 LYS 20 - H LYS 24 far 0 99 0 - 5.5-6.4 HB2 GLU 17 - H GLU 88 far 0 100 0 - 6.1-8.4 HB2 LYS 94 - H LYS 24 far 0 90 0 - 7.0-8.5 HB3 ARG 19 - H LYS 24 far 0 96 0 - 7.4-9.1 HB2 LYS 13 - H GLU 88 far 0 82 0 - 9.7-11.9 HB3 LYS 13 - H GLU 88 far 0 79 0 - 9.7-11.6 HB2 GLU 17 - H LYS 24 far 0 100 0 - 9.8-10.5 HB2 LYS 94 - H GLU 88 far 0 91 0 - 9.8-12.4 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 2.4-2.8 7400=89, 7402/7393=35...(21) HE ARG 19 - H LYS 24 far 0 81 0 - 8.0-11.7 HE3 TRP 92 - H GLU 88 far 0 100 0 - 8.1-10.3 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 4.0-4.7 7408/7397=94, 7411=82...(18) H GLU 17 - H GLU 88 far 0 95 0 - 8.8-10.9 H ILE 15 - H GLU 88 far 0 81 0 - 9.9-11.1 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 2.4-2.8 7397=100, 7393/7402=39...(22) H LEU 14 - H ALA 89 far 0 93 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 7401 from nnoeabs.peaks (3.66, 7.42, 118.87 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 88 + H ALA 89 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 90 - H ALA 89 far 0 99 0 - 5.2-5.5 HA LEU 14 - H ALA 89 far 0 88 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 7402 from nnoeabs.peaks (1.81, 7.42, 118.87 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 88 + H ALA 89 OK 100 100 100 100 2.4-2.9 4.3=62, 1.8/3885=58...(19) HB2 LYS 90 - H ALA 89 far 0 100 0 - 4.9-6.4 HB3 LYS 90 - H ALA 89 far 0 85 0 - 5.1-6.4 HB3 LEU 57 - H ALA 89 far 0 96 0 - 6.4-7.8 HB ILE 93 - H ALA 89 far 0 100 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. Peak 7403 from nnoeabs.peaks (2.08, 7.42, 118.87 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 88 + H ALA 89 OK 99 100 100 99 3.0-4.0 1.8/7402=64, 3885=52...(16) HB VAL 83 + H ALA 89 OK 67 68 100 99 3.1-3.9 2.1/9780=50, 2.1/9794=49...(19) HB3 PRO 86 - H ALA 89 far 0 82 0 - 5.0-5.7 HB2 MET 21 - H ALA 89 far 0 82 0 - 7.6-9.1 QE MET 21 - H ALA 89 far 0 91 0 - 7.7-9.4 Violated in 2 structures by 0.00 A. Peak 7404 from nnoeabs.peaks (2.14, 7.42, 118.87 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.86: HB VAL 83 + H ALA 89 OK 79 79 100 100 3.1-3.9 2.1/9780=70, 2.1/9794=68...(20) * HG2 GLU 88 + H ALA 89 OK 35 100 35 100 4.4-5.2 3.0/7402=65, 1.8/7405=63...(16) HB3 PRO 86 - H ALA 89 far 0 63 0 - 5.0-5.7 HB2 PRO 86 - H ALA 89 far 0 90 0 - 5.3-5.9 HB3 GLU 95 - H ALA 89 far 0 95 0 - 9.3-12.3 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 6 assignments used, quality = 1.00: * HG3 GLU 88 + H ALA 89 OK 100 100 100 100 3.7-4.7 3.0/7402=77, 3.0/3885=68...(20) HB2 GLU 17 - H ALA 89 far 0 100 0 - 5.4-7.5 HB2 LYS 94 - H ALA 89 far 0 91 0 - 8.8-11.8 HB2 LYS 13 - H ALA 89 far 0 82 0 - 9.5-11.7 HB3 LYS 13 - H ALA 89 far 0 79 0 - 9.6-11.2 HB3 LYS 20 - H ALA 89 far 0 99 0 - 9.6-12.9 Violated in 13 structures by 0.04 A. Peak 7406 from nnoeabs.peaks (3.90, 7.42, 118.87 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 89 + H ALA 89 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 SER 85 - H ALA 89 far 0 100 0 - 4.6-5.8 HA ARG 91 - H ALA 89 far 0 98 0 - 6.7-7.2 HB3 SER 9 - H ALA 89 far 0 85 0 - 8.3-10.3 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 2.0-2.2 2.9=86, 7415/7408=35...(14) HG LEU 14 - H ALA 89 far 0 99 0 - 4.4-5.5 HG2 LYS 94 - H ALA 89 far 0 100 0 - 8.3-12.1 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 2.6-2.9 7413=94, 7415/7407=55...(18) H GLU 17 - H ALA 89 far 0 95 0 - 8.0-9.5 H ILE 15 - H ALA 89 far 0 81 0 - 8.5-9.4 H GLU 16 - H ALA 89 far 0 77 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 7409 from nnoeabs.peaks (7.47, 7.42, 118.87 ppm; 2.93 A): 0 out of 3 assignments used, quality = 0.00: ! H ARG 91 - H ALA 89 far 0 100 0 - 3.9-4.5 HE3 TRP 92 - H ALA 89 far 0 59 0 - 6.2-8.9 HZ2 TRP 92 - H ALA 89 far 0 91 0 - 6.7-9.2 Violated in 20 structures by 1.24 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 4.0-4.7 7398=100, 7397/7408=97...(18) H LEU 14 - H LYS 90 far 0 93 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 7412 from nnoeabs.peaks (3.66, 8.05, 114.83 ppm; 3.53 A): 2 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 OK 29 100 30 96 4.0-4.7 3.6/7408=51...(17) HA LEU 14 - H LYS 90 far 0 88 0 - 5.7-8.0 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 2.6-2.9 7408=100, 7407/7415=57...(18) HE3 TRP 92 - H LYS 90 far 0 100 0 - 7.3-9.0 Violated in 0 structures by 0.00 A. Peak 7414 from nnoeabs.peaks (3.90, 8.05, 114.83 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 89 + H LYS 90 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 91 - H LYS 90 far 0 98 0 - 5.1-5.5 HB2 SER 85 - H LYS 90 far 0 100 0 - 6.5-8.0 HA LYS 94 - H LYS 90 far 0 68 0 - 8.0-9.8 HB3 SER 9 - H LYS 90 far 0 85 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 7415 from nnoeabs.peaks (1.34, 8.05, 114.83 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.99: * QB ALA 89 + H LYS 90 OK 99 100 100 99 2.2-2.9 3910=81, 7407/7408=51...(20) HG LEU 14 - H LYS 90 far 0 99 0 - 4.8-7.0 HG2 LYS 94 - H LYS 90 far 0 100 0 - 6.3-10.3 QB ALA 25 - H LYS 90 far 0 100 0 - 8.7-9.8 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 - 4.0-4.7 HA LEU 14 - H LYS 90 far 0 98 0 - 5.7-8.0 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 5 assignments used, quality = 1.00: * HB2 LYS 90 + H LYS 90 OK 98 100 100 98 2.5-3.6 2.8/7419=45, 2.8/7420=43...(17) HB3 LYS 90 + H LYS 90 OK 87 90 100 98 2.6-3.6 2.8/7419=45, 2.8/7420=43...(15) HB2 GLU 88 - H LYS 90 far 0 100 0 - 5.0-5.5 HB ILE 93 - H LYS 90 far 0 99 0 - 5.0-6.4 HB3 LEU 57 - H LYS 90 far 0 98 0 - 7.1-8.7 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 6 assignments used, quality = 1.00: * HB3 LYS 90 + H LYS 90 OK 98 100 100 98 2.6-3.6 2.8/7419=48, 4.1=47...(15) HB2 LYS 90 + H LYS 90 OK 88 90 100 99 2.5-3.6 2.8/7419=48, 4.1=47...(16) HB2 GLU 88 - H LYS 90 far 0 85 0 - 5.0-5.5 HB ILE 93 - H LYS 90 far 0 75 0 - 5.0-6.4 HB3 LEU 57 - H LYS 90 far 0 99 0 - 7.1-8.7 HB VAL 5 - H LYS 90 far 0 82 0 - 9.4-11.1 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 1.8-2.4 1.8/7420=68, 3915/3.0=50...(23) Violated in 0 structures by 0.00 A. Peak 7420 from nnoeabs.peaks (1.58, 8.05, 114.83 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 90 + H LYS 90 OK 100 100 100 100 3.1-3.8 1.8/7419=75, 3957=52...(23) HD3 LYS 94 - H LYS 90 far 0 97 0 - 6.1-8.5 HG2 ARG 19 - H LYS 90 far 0 100 0 - 9.5-11.7 Violated in 8 structures by 0.07 A. Peak 7421 from nnoeabs.peaks (1.74, 8.05, 114.83 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 90 + H LYS 90 OK 100 100 100 100 2.1-4.4 2.9/7419=73, 3968=72...(19) HG3 ARG 19 - H LYS 90 far 0 91 0 - 8.9-10.8 HD2 LYS 13 - H LYS 90 far 0 59 0 - 9.5-14.3 HB ILE 15 - H LYS 90 far 0 99 0 - 9.8-11.8 Violated in 10 structures by 0.13 A. Peak 7422 from nnoeabs.peaks (1.70, 8.05, 114.83 ppm; 4.06 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 90 + H LYS 90 OK 100 100 100 100 2.8-4.2 2.9/7419=72, 2.9/7420=70...(23) HB3 ARG 91 + H LYS 90 OK 58 97 65 92 4.4-6.3 3.9/7431=59, 4.3/7453=49...(12) HG2 PRO 86 - H LYS 90 far 0 100 0 - 6.2-7.8 HG3 LYS 20 - H LYS 90 far 0 90 0 - 8.0-12.2 HD3 LYS 20 - H LYS 90 far 0 90 0 - 8.0-11.9 HD2 LYS 20 - H LYS 90 far 0 93 0 - 8.1-11.6 HD2 LYS 13 - H LYS 90 far 0 100 0 - 9.5-14.3 HB ILE 15 - H LYS 90 far 0 71 0 - 9.8-11.8 Violated in 0 structures by 0.00 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 2.9-5.3 3.0/7421=88, 3.8/7419=87...(19) Violated in 0 structures by 0.00 A. Peak 7424 from nnoeabs.peaks (2.94, 8.05, 114.83 ppm; 4.89 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 90 + H LYS 90 OK 100 100 100 100 3.9-5.6 4005/7419=81...(22) HG2 MET 21 + H LYS 90 OK 90 100 90 100 3.8-6.7 3920/3.0=84, ~9948=43...(16) HE2 LYS 20 - H LYS 90 far 0 87 0 - 7.5-13.0 HE3 LYS 94 - H LYS 90 far 0 85 0 - 7.6-11.1 HE2 LYS 94 - H LYS 90 far 0 96 0 - 7.6-11.4 HE3 LYS 20 - H LYS 90 far 0 88 0 - 8.3-12.6 Violated in 0 structures by 0.00 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 2.5-3.0 7431=100, 7448/7453=45...(18) HE3 TRP 92 - H LYS 90 far 0 59 0 - 7.3-9.0 HZ2 TRP 92 - H LYS 90 far 0 91 0 - 8.6-10.6 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 3.8-4.1 7453=100, 7448/7431=76...(13) H ASP 87 + H LYS 90 OK 70 100 70 100 4.8-5.3 10963=80, 2.9/9951=68...(16) 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...(20) * HA GLU 88 + H ARG 91 OK 97 100 100 97 3.2-3.7 3869=56, 4024/4025=36...(17) HA LEU 14 - H ARG 91 far 0 88 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 7429 from nnoeabs.peaks (7.42, 7.47, 119.03 ppm; 2.77 A): 0 out of 2 assignments used, quality = 0.00: ! H ALA 89 - H ARG 91 far 0 100 0 - 3.9-4.5 HE3 TRP 92 - H ARG 91 far 0 100 0 - 7.2-8.0 Violated in 20 structures by 1.40 A. Peak 7430 from nnoeabs.peaks (3.90, 7.47, 119.03 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.98: HA ARG 91 + H ARG 91 OK 98 98 100 100 2.8-2.9 3.0=100 ! HA ALA 89 - H ARG 91 far 0 100 0 - 4.3-4.9 HA LYS 94 - H ARG 91 far 0 68 0 - 7.1-8.2 HB2 SER 85 - H ARG 91 far 0 100 0 - 7.2-8.7 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 2.5-3.0 7425=87, 7453/7448=41...(18) H GLU 17 - H ARG 91 far 0 95 0 - 8.7-11.3 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...(20) HA GLU 88 + H ARG 91 OK 96 99 100 97 3.2-3.7 3869=55, 4024/4025=36...(17) HA LEU 14 - H ARG 91 far 0 98 0 - 8.2-10.5 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 5 assignments used, quality = 0.99: * HB2 LYS 90 + H ARG 91 OK 97 100 100 97 2.2-4.0 4.1=47, 2.8/7435=35...(15) HB3 LYS 90 + H ARG 91 OK 82 90 95 97 2.2-4.1 4.1=47, 2.8/7435=35...(15) HB ILE 93 - H ARG 91 far 0 99 0 - 5.2-5.8 HB2 GLU 88 - H ARG 91 far 0 100 0 - 5.3-6.0 HB3 LEU 57 - H ARG 91 far 0 98 0 - 8.7-10.4 Violated in 11 structures by 0.10 A. Peak 7434 from nnoeabs.peaks (1.83, 7.47, 119.03 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + H ARG 91 OK 98 100 100 98 2.2-4.1 4.1=54, 2.8/7435=39...(16) HB2 LYS 90 + H ARG 91 OK 88 90 100 98 2.2-4.0 4.1=54, 2.8/7435=39...(14) HB ILE 93 - H ARG 91 far 0 75 0 - 5.2-5.8 HB2 GLU 88 - H ARG 91 far 0 85 0 - 5.3-6.0 HB3 LEU 57 - H ARG 91 far 0 99 0 - 8.7-10.4 Violated in 10 structures by 0.02 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 1.9-4.5 7419/7431=73...(23) Violated in 7 structures by 0.03 A. Peak 7436 from nnoeabs.peaks (1.58, 7.47, 119.03 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 90 + H ARG 91 OK 100 100 100 100 3.0-5.0 1.8/7435=77...(20) HD3 LYS 94 + H ARG 91 OK 26 97 30 90 4.3-6.4 6.3/10980=24...(25) Violated in 5 structures by 0.03 A. Peak 7437 from nnoeabs.peaks (1.74, 7.47, 119.03 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.99: * HD2 LYS 90 + H ARG 91 OK 99 100 100 99 3.2-4.5 7421/7431=51...(21) Violated in 7 structures by 0.10 A. Peak 7438 from nnoeabs.peaks (1.70, 7.47, 119.03 ppm; 3.24 A): 2 out of 6 assignments used, quality = 0.98: HB3 ARG 91 + H ARG 91 OK 96 97 100 99 2.2-3.6 3.9=57, 1.8/4025=57...(20) * HD3 LYS 90 + H ARG 91 OK 57 100 60 95 2.1-5.8 2.9/7435=35, 3918/3.6=31...(22) HG2 PRO 86 - H ARG 91 far 0 100 0 - 7.5-9.8 HG3 LYS 20 - H ARG 91 far 0 90 0 - 8.8-13.7 HD2 LYS 20 - H ARG 91 far 0 93 0 - 9.3-13.4 HD3 LYS 20 - H ARG 91 far 0 90 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 7441 from nnoeabs.peaks (3.89, 7.47, 119.03 ppm; 3.20 A): 1 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 far 0 98 0 - 4.3-4.9 HA LYS 94 - H ARG 91 far 0 90 0 - 7.1-8.2 HB2 SER 85 - H ARG 91 far 0 96 0 - 7.2-8.7 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 = 0.98: * HB2 ARG 91 + H ARG 91 OK 97 100 100 97 2.2-3.6 4025=55, 1.8/7443=46...(19) HG3 ARG 91 + H ARG 91 OK 33 70 50 94 2.0-4.7 2.8/4025=39, 2.8/7443=34...(12) HG LEU 57 - H ARG 91 far 0 96 0 - 6.6-8.3 HG2 LYS 20 - H ARG 91 far 0 79 0 - 8.8-13.3 HB ILE 7 - H ARG 91 far 0 65 0 - 9.7-11.5 HB2 LEU 14 - H ARG 91 far 0 65 0 - 9.7-11.7 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 6 assignments used, quality = 0.99: * HB3 ARG 91 + H ARG 91 OK 98 100 100 98 2.2-3.6 1.8/7442=51, 3.9=48...(20) HD3 LYS 90 + H ARG 91 OK 45 97 50 92 2.1-5.8 2.9/7435=30, 3918/3.6=26...(19) HG2 PRO 86 - H ARG 91 far 0 99 0 - 7.5-9.8 HG3 LYS 20 - H ARG 91 far 0 99 0 - 8.8-13.7 HD2 LYS 20 - H ARG 91 far 0 100 0 - 9.3-13.4 HD3 LYS 20 - H ARG 91 far 0 99 0 - 9.6-13.8 Violated in 0 structures by 0.00 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 2.2-4.5 4.8=79, 2.8/4025=77...(20) HB3 ARG 81 - H ARG 91 far 0 92 0 - 8.9-10.9 Violated in 6 structures by 0.03 A. Peak 7445 from nnoeabs.peaks (1.45, 7.47, 119.03 ppm; 3.08 A): 2 out of 5 assignments used, quality = 0.83: HB2 ARG 91 + H ARG 91 OK 67 70 100 97 2.2-3.6 3.9=49, 1.8/7443=48...(19) * HG3 ARG 91 + H ARG 91 OK 48 100 50 96 2.0-4.7 2.8/4025=40, 2.8/7443=35...(14) QB ALA 22 - H ARG 91 far 0 95 0 - 8.3-9.6 HG2 LYS 20 - H ARG 91 far 0 100 0 - 8.8-13.3 HG12 ILE 7 - H ARG 91 far 0 81 0 - 9.0-10.9 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 3.8-5.0 4062=100, 3.5/4025=85...(18) HB3 ASP 87 + H ARG 91 OK 89 99 95 95 4.9-6.1 3.0/9963=78, 8797=30...(10) HB2 ASP 87 + H ARG 91 OK 59 99 65 93 5.0-6.3 3.0/9963=78, 1.8/8797=31...(8) HG3 GLU 95 - H ARG 91 far 0 59 0 - 6.7-8.5 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 4.3-5.3 4071=100, 1.8/4062=91...(17) 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...(18) H ASP 87 - H ARG 91 far 0 100 0 - 5.8-6.7 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 4.0-4.5 7472/7448=83...(15) H GLU 95 - H ARG 91 far 0 100 0 - 5.9-6.8 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 GLU 88 + H TRP 92 OK 99 100 100 99 3.9-4.5 3869/7448=64...(15) HA LYS 90 + H TRP 92 OK 99 99 100 100 3.9-4.2 3.0/7453=80, 3.6/7448=75...(12) HA LEU 14 - H TRP 92 far 0 88 0 - 9.4-11.3 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 3.3-3.7 3.6/7453=51, 3904=46...(16) 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 - 6.6-7.2 HB2 SER 85 - H TRP 92 far 0 100 0 - 8.5-9.6 HB2 SER 102 - H TRP 92 far 0 100 0 - 9.8-19.1 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 1 assignment used, quality = 0.96: * H LYS 90 + H TRP 92 OK 96 100 100 96 3.8-4.1 7431/7448=56, 7426=34...(13) Violated in 20 structures by 0.35 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 3.9-4.2 3.0/7453=78, 3.6/7448=73...(12) HA GLU 88 + H TRP 92 OK 98 99 100 99 3.9-4.5 3869/7448=61...(15) HA LEU 14 - H TRP 92 far 0 98 0 - 9.4-11.3 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...(18) HE3 TRP 92 - H TRP 92 far 0 59 0 - 4.8-5.3 HZ2 TRP 92 - H TRP 92 far 0 91 0 - 6.7-7.7 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 3.3-3.7 3.6/7453=51, 3904=45...(16) HA LYS 94 - H TRP 92 far 0 90 0 - 6.6-7.2 HB2 SER 85 - H TRP 92 far 0 96 0 - 8.5-9.6 HB2 SER 102 - H TRP 92 far 0 100 0 - 9.8-19.1 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 4 assignments used, quality = 0.98: * HB2 ARG 91 + H TRP 92 OK 98 100 100 98 2.9-4.2 4033=58, 1.8/7458=51...(10) HG3 ARG 91 + H TRP 92 OK 33 70 50 94 2.3-5.0 2.8/4033=43, 2.8/7458=40...(10) HG LEU 57 - H TRP 92 far 0 96 0 - 5.2-6.4 HB ILE 7 - H TRP 92 far 0 65 0 - 8.9-10.3 Violated in 11 structures by 0.07 A. Peak 7458 from nnoeabs.peaks (1.68, 8.14, 118.10 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 91 + H TRP 92 OK 99 100 100 99 2.9-4.0 4.3=63, 1.8/4033=63...(11) HD3 LYS 90 + H TRP 92 OK 26 97 35 76 4.5-7.1 7422/7453=26...(11) HG2 PRO 86 - H TRP 92 far 0 99 0 - 9.5-11.5 HB3 ARG 79 - H TRP 92 far 0 81 0 - 9.5-12.6 Violated in 4 structures by 0.02 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 3.0-4.9 4052=83, 1.8/4061=81...(12) HB3 ARG 81 - H TRP 92 far 0 92 0 - 6.4-8.6 Violated in 13 structures by 0.07 A. Peak 7460 from nnoeabs.peaks (1.45, 8.14, 118.10 ppm; 3.49 A): 2 out of 4 assignments used, quality = 0.83: HB2 ARG 91 + H TRP 92 OK 68 70 100 97 2.9-4.2 4.3=54, 1.8/7458=53...(10) * HG3 ARG 91 + H TRP 92 OK 48 100 50 97 2.3-5.0 2.8/4033=45, 4061=43...(10) QB ALA 22 - H TRP 92 far 0 95 0 - 8.0-9.3 HG12 ILE 7 - H TRP 92 far 0 81 0 - 8.7-9.9 Violated in 9 structures by 0.03 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 - 7.7-8.7 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 2 assignments used, quality = 0.97: * HB2 TRP 92 + H TRP 92 OK 97 100 100 97 2.1-2.4 1.8/7465=63, 4.0=61...(13) HB2 PHE 96 - H TRP 92 far 0 100 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 7465 from nnoeabs.peaks (3.19, 8.14, 118.10 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.99: * HB3 TRP 92 + H TRP 92 OK 99 100 100 99 3.3-3.6 1.8/7464=82, 4.0=79...(9) 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 2.6-3.9 3.9/7464=58, 3.9/7465=54...(15) Violated in 0 structures by 0.00 A. Peak 7467 from nnoeabs.peaks (7.43, 8.14, 118.10 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.95: H ALA 89 + H TRP 92 OK 87 100 90 97 4.6-4.9 7408/7453=62...(11) H ARG 91 + H TRP 92 OK 59 59 100 100 2.5-2.7 4.6=62, 3.9/4033=46...(18) ! HE3 TRP 92 - H TRP 92 far 10 100 10 - 4.8-5.3 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 4.7-5.9 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...(13) H GLU 95 - H TRP 92 far 0 100 0 - 4.6-5.3 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 1 assignment used, quality = 0.98: * H LYS 94 + H TRP 92 OK 98 100 100 98 3.8-4.5 7498/7472=60, 7503=54...(9) Violated in 5 structures by 0.04 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 - 5.8-7.8 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 4 assignments used, quality = 1.00: * HA ALA 89 + H ILE 93 OK 100 100 100 100 3.9-4.8 2.1/9939=77...(9) HA ARG 91 + H ILE 93 OK 97 98 100 99 3.9-4.9 3.6/7472=80, 3.0/7449=68...(13) HA LYS 94 + H ILE 93 OK 67 68 100 99 5.2-5.4 3.0/7498=87...(10) HB2 SER 102 - H ILE 93 far 0 100 0 - 9.9-17.7 Violated in 0 structures by 0.00 A. Peak 7479 from nnoeabs.peaks (3.67, 8.36, 120.59 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 90 + H ILE 93 OK 100 100 100 100 3.4-3.8 3922=100, 4129/7493=66...(16) HA GLU 88 - H ILE 93 far 0 99 0 - 6.3-7.1 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 4.0-4.5 7449=100, 7448/7472=93...(15) HE3 TRP 92 + H ILE 93 OK 54 59 100 91 4.9-6.0 5.9/7472=59, 4.2/7484=47...(6) HZ2 TRP 92 - H ILE 93 far 0 91 0 - 8.6-9.0 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 4 assignments used, quality = 1.00: * HA ARG 91 + H ILE 93 OK 99 100 100 99 3.9-4.9 3.6/7472=80, 3.0/7449=68...(13) HA ALA 89 + H ILE 93 OK 97 98 100 100 3.9-4.8 2.1/9939=77...(9) HA LYS 94 + H ILE 93 OK 89 90 100 99 5.2-5.4 3.0/7498=87...(11) HB2 SER 102 - H ILE 93 far 0 100 0 - 9.9-17.7 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...(13) H ASP 87 - H ILE 93 far 0 100 0 - 9.4-9.9 H GLY 100 - H ILE 93 far 0 100 0 - 9.7-11.7 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 3.5-3.6 3.6=100 HA VAL 83 - H ILE 93 far 0 90 0 - 9.3-10.6 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 3 assignments used, quality = 1.00: * HB2 TRP 92 + H ILE 93 OK 99 100 100 99 2.5-3.2 4.5=85, 7464/7472=67...(12) HB2 PHE 96 + H ILE 93 OK 58 100 60 96 4.8-5.4 4325/3.0=62, ~4128=43...(11) HD3 ARG 79 - H ILE 93 far 0 82 0 - 9.1-13.7 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 1 assignment used, quality = 1.00: * HB3 TRP 92 + H ILE 93 OK 100 100 100 100 2.9-3.9 4.5=100 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 2.8-2.8 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 5 assignments used, quality = 1.00: * HB ILE 93 + H ILE 93 OK 100 100 100 100 2.4-2.7 4130=82, 3.0/7495=51...(19) HB2 LYS 90 - H ILE 93 far 0 99 0 - 5.2-6.0 HB3 LYS 90 - H ILE 93 far 0 75 0 - 5.3-6.0 HB3 LEU 57 - H ILE 93 far 0 91 0 - 6.5-8.0 HB2 GLU 88 - H ILE 93 far 0 100 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 7494 from nnoeabs.peaks (0.75, 8.36, 120.59 ppm; 3.35 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 93 + H ILE 93 OK 99 100 100 99 3.7-3.8 2.1/7493=62, 4.0=59...(18) HG13 ILE 93 + H ILE 93 OK 98 100 100 99 1.9-4.0 1.8/7495=63, 3.0/7493=50...(17) QD1 ILE 93 + H ILE 93 OK 92 93 100 99 2.4-3.4 2.1/7495=59, 3.2/7493=47...(23) QG1 VAL 5 - H ILE 93 far 0 87 0 - 4.3-5.7 QD1 LEU 27 - H ILE 93 far 0 94 0 - 5.7-6.6 HG3 ARG 81 - H ILE 93 far 0 99 0 - 6.7-9.8 QD2 LEU 27 - H ILE 93 far 0 91 0 - 8.3-9.1 QG1 VAL 54 - H ILE 93 far 0 99 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 7495 from nnoeabs.peaks (2.04, 8.36, 120.59 ppm; 3.62 A): 1 out of 7 assignments used, quality = 0.99: * HG12 ILE 93 + H ILE 93 OK 99 100 100 99 2.6-4.0 3.0/7493=58, 2.1/4162=55...(14) HB3 LYS 94 - H ILE 93 poor 19 96 20 - 4.4-6.2 HB2 MET 21 - H ILE 93 far 0 98 0 - 4.5-6.2 HB3 GLU 17 - H ILE 93 far 0 75 0 - 7.8-9.8 HB2 GLU 98 - H ILE 93 far 0 100 0 - 8.6-11.3 HB3 GLU 99 - H ILE 93 far 0 100 0 - 8.7-12.6 HB2 GLU 99 - H ILE 93 far 0 100 0 - 9.0-12.7 Violated in 15 structures by 0.12 A. Peak 7496 from nnoeabs.peaks (0.74, 8.36, 120.59 ppm; 3.35 A): 3 out of 10 assignments used, quality = 1.00: QG2 ILE 93 + H ILE 93 OK 99 100 100 99 3.7-3.8 2.1/7493=62, 4.0=59...(18) * HG13 ILE 93 + H ILE 93 OK 99 100 100 99 1.9-4.0 1.8/7495=63, 3.0/7493=50...(17) QD1 ILE 93 + H ILE 93 OK 83 84 100 99 2.4-3.4 2.1/7495=59, 3.2/7493=47...(23) QG1 VAL 5 - H ILE 93 far 0 95 0 - 4.3-5.7 QD1 LEU 27 - H ILE 93 far 0 85 0 - 5.7-6.6 HG3 ARG 81 - H ILE 93 far 0 100 0 - 6.7-9.8 QD2 LEU 14 - H ILE 93 far 0 68 0 - 7.2-8.8 QD2 LEU 27 - H ILE 93 far 0 97 0 - 8.3-9.1 QG1 VAL 54 - H ILE 93 far 0 94 0 - 9.3-10.3 QD1 ILE 56 - H ILE 93 far 0 65 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 7497 from nnoeabs.peaks (0.77, 8.36, 120.59 ppm; 3.46 A): 3 out of 8 assignments used, quality = 1.00: * QD1 ILE 93 + H ILE 93 OK 100 100 100 100 2.4-3.4 2.1/7495=62, 4162=57...(23) QG2 ILE 93 + H ILE 93 OK 92 93 100 99 3.7-3.8 2.1/7493=66, 4.0=65...(18) HG13 ILE 93 + H ILE 93 OK 83 84 100 99 1.9-4.0 1.8/7495=67, 3.0/7493=53...(17) QD2 LEU 57 - H ILE 93 far 4 84 5 - 4.3-5.2 QD1 LEU 27 - H ILE 93 far 0 100 0 - 5.7-6.6 HG3 ARG 81 - H ILE 93 far 0 77 0 - 6.7-9.8 QG2 ILE 7 - H ILE 93 far 0 79 0 - 8.6-9.4 QG1 VAL 54 - H ILE 93 far 0 99 0 - 9.3-10.3 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 = 0.99: * H LYS 94 + H ILE 93 OK 99 100 100 99 2.6-2.9 7507/7493=54, 4.6=52...(19) H GLU 23 - H ILE 93 far 0 98 0 - 8.9-10.2 H LEU 27 - H ILE 93 far 0 88 0 - 9.8-11.2 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 3.1-5.2 10979=68, 4129/7507=62...(15) HA GLU 88 - H LYS 94 far 0 99 0 - 7.5-8.2 Violated in 9 structures by 0.15 A. Peak 7502 from nnoeabs.peaks (3.89, 8.26, 121.69 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.99: * HA ARG 91 + H LYS 94 OK 94 100 100 94 3.3-4.3 3.6/7473=41, 4021=36...(18) 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 - 6.3-7.4 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 3.8-4.5 7473=100, 7472/7498=83...(9) H GLY 100 - H LYS 94 far 0 100 0 - 8.8-10.7 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 4.1-5.0 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 2.6-2.9 7528=78, 7531/7514=43...(21) * H ILE 93 + H LYS 94 OK 97 100 100 97 2.6-2.9 7498=58, 7493/7507=37...(19) 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 5 assignments used, quality = 0.99: * HB ILE 93 + H LYS 94 OK 99 100 100 99 2.3-2.9 4137=68, 7493/7498=43...(22) HB3 LYS 90 - H LYS 94 far 0 75 0 - 4.4-6.6 HB2 LYS 90 - H LYS 94 far 0 99 0 - 4.5-7.1 HB3 LEU 57 - H LYS 94 far 0 91 0 - 9.2-10.6 HB2 GLU 88 - H LYS 94 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 7508 from nnoeabs.peaks (0.75, 8.26, 121.69 ppm; 3.47 A): 3 out of 7 assignments used, quality = 1.00: * QG2 ILE 93 + H LYS 94 OK 100 100 100 100 2.9-3.7 2.1/7507=66, 4.3=53...(23) QD1 ILE 93 + H LYS 94 OK 77 93 85 98 3.9-4.5 3.2/7507=50, 4169=36...(22) HG13 ILE 93 + H LYS 94 OK 42 100 45 94 3.8-5.1 3.0/7507=54, 2.1/4169=38...(15) QD1 LEU 27 - H LYS 94 far 0 94 0 - 5.2-5.9 QG1 VAL 5 - H LYS 94 far 0 87 0 - 6.1-7.2 QD2 LEU 27 - H LYS 94 far 0 91 0 - 7.6-8.5 HG3 ARG 81 - H LYS 94 far 0 99 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 7509 from nnoeabs.peaks (2.04, 8.26, 121.69 ppm; 3.12 A): 1 out of 8 assignments used, quality = 0.95: HB3 LYS 94 + H LYS 94 OK 95 96 100 99 2.1-3.6 1.8/7513=69, 4197=53...(24) HB2 MET 21 - H LYS 94 far 10 98 10 - 4.0-5.6 ! HG12 ILE 93 - H LYS 94 far 0 100 0 - 4.5-5.3 HB2 GLU 98 - H LYS 94 far 0 100 0 - 6.9-9.2 HB3 GLU 99 - H LYS 94 far 0 100 0 - 8.1-11.9 HB2 GLU 99 - H LYS 94 far 0 100 0 - 8.5-11.9 HB3 GLU 98 - H LYS 94 far 0 100 0 - 8.6-9.5 HB3 GLU 17 - H LYS 94 far 0 75 0 - 8.7-10.5 Violated in 1 structures by 0.02 A. Peak 7510 from nnoeabs.peaks (0.74, 8.26, 121.69 ppm; 3.47 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 93 + H LYS 94 OK 99 100 100 100 2.9-3.7 2.1/7507=66, 4.3=53...(23) QD1 ILE 93 + H LYS 94 OK 69 84 85 97 3.9-4.5 3.2/7507=50, 4169=31...(22) * HG13 ILE 93 + H LYS 94 OK 42 100 45 94 3.8-5.1 3.0/7507=54, 2.1/4169=38...(15) QD1 LEU 27 - H LYS 94 far 0 85 0 - 5.2-5.9 QG1 VAL 5 - H LYS 94 far 0 95 0 - 6.1-7.2 QD2 LEU 27 - H LYS 94 far 0 97 0 - 7.6-8.5 HG3 ARG 81 - H LYS 94 far 0 100 0 - 8.9-11.8 QD2 LEU 14 - H LYS 94 far 0 68 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 7511 from nnoeabs.peaks (0.77, 8.26, 121.69 ppm; 3.70 A): 3 out of 6 assignments used, quality = 1.00: * QD1 ILE 93 + H LYS 94 OK 99 100 100 99 3.9-4.5 3.2/7507=57, 4169=48...(22) QG2 ILE 93 + H LYS 94 OK 93 93 100 100 2.9-3.7 2.1/7507=73, 4.3=64...(23) HG13 ILE 93 + H LYS 94 OK 64 84 80 96 3.8-5.1 3.0/7507=60, 2.1/4169=45...(15) QD1 LEU 27 - H LYS 94 far 0 100 0 - 5.2-5.9 QD2 LEU 57 - H LYS 94 far 0 84 0 - 6.4-7.3 HG3 ARG 81 - H LYS 94 far 0 77 0 - 8.9-11.8 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 4 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 74 90 95 87 3.3-4.3 3.6/7473=33...(18) HA ALA 22 - H LYS 94 far 0 59 0 - 5.7-7.0 HA ALA 89 - H LYS 94 far 0 68 0 - 6.3-7.4 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 5 assignments used, quality = 0.99: * HB2 LYS 94 + H LYS 94 OK 99 100 100 99 2.2-3.5 1.8/7514=68, 4185=65...(21) HB2 GLU 17 - H LYS 94 far 0 93 0 - 8.4-10.4 HB2 LYS 20 - H LYS 94 far 0 71 0 - 8.6-10.8 HB3 LYS 20 - H LYS 94 far 0 98 0 - 8.7-11.4 HG3 GLU 88 - H LYS 94 far 0 91 0 - 8.7-11.6 Violated in 10 structures by 0.12 A. Peak 7514 from nnoeabs.peaks (2.02, 8.26, 121.69 ppm; 3.12 A): 1 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=55...(23) HB2 MET 21 - H LYS 94 far 8 81 10 - 4.0-5.6 HG12 ILE 93 - H LYS 94 far 0 96 0 - 4.5-5.3 HB2 GLU 98 - H LYS 94 far 0 90 0 - 6.9-9.2 HB3 GLU 99 - H LYS 94 far 0 96 0 - 8.1-11.9 HB2 GLU 99 - H LYS 94 far 0 91 0 - 8.5-11.9 HB3 GLU 98 - H LYS 94 far 0 91 0 - 8.6-9.5 HB3 GLU 17 - H LYS 94 far 0 96 0 - 8.7-10.5 Violated in 1 structures by 0.02 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 2.4-4.6 2.9/7513=80, 2.9/7514=79...(26) QB ALA 25 + H LYS 94 OK 44 100 55 81 4.7-5.4 10334/3.0=41...(8) QB ALA 89 - H LYS 94 far 0 100 0 - 5.9-7.3 HB3 LEU 27 - H LYS 94 far 0 100 0 - 8.4-9.8 Violated in 11 structures by 0.06 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 3.6-4.4 2.9/7513=81, 2.9/7514=81...(21) HB3 LEU 27 - H LYS 94 far 0 63 0 - 8.4-9.8 Violated in 11 structures by 0.05 A. Peak 7517 from nnoeabs.peaks (1.62, 8.26, 121.69 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.93: HD3 LYS 94 + H LYS 94 OK 84 84 100 100 3.9-4.7 3.5/7513=80, 3.5/7514=80...(21) * HD2 LYS 94 + H LYS 94 OK 55 100 55 100 4.1-5.8 3.5/7513=80, 3.5/7514=80...(22) HG LEU 27 - H LYS 94 far 0 84 0 - 7.3-8.7 HG2 LYS 24 - H LYS 94 far 0 61 0 - 7.7-10.2 HB3 LEU 29 - H LYS 94 far 0 81 0 - 9.7-10.9 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 6 assignments used, quality = 1.00: * HD3 LYS 94 + H LYS 94 OK 100 100 100 100 3.9-4.7 3.5/7513=78, 3.5/7514=78...(22) HD2 LYS 94 + H LYS 94 OK 42 84 50 100 4.1-5.8 3.5/7513=78, 3.5/7514=78...(22) HG3 LYS 90 - H LYS 94 far 0 97 0 - 5.9-8.0 HG LEU 27 - H LYS 94 far 0 100 0 - 7.3-8.7 HG2 LYS 24 - H LYS 94 far 0 98 0 - 7.7-10.2 HB3 LEU 29 - H LYS 94 far 0 100 0 - 9.7-10.9 Violated in 1 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 = 0.97: HG2 MET 21 + H LYS 94 OK 92 92 100 100 3.9-5.5 8534=89, 10011/7507=62...(15) * HE2 LYS 94 + H LYS 94 OK 50 100 50 100 4.8-6.5 4.8/7513=64, 4.8/7514=64...(14) HE3 LYS 94 + H LYS 94 OK 25 99 25 100 5.2-7.0 4.8/7513=64, 4.8/7514=64...(15) HE3 LYS 90 - H LYS 94 far 0 96 0 - 8.0-9.2 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 = 0.92: HG2 MET 21 + H LYS 94 OK 79 79 100 100 3.9-5.5 8534=72, 10011/7507=59...(15) HE2 LYS 94 + H LYS 94 OK 49 99 50 100 4.8-6.5 4.8/7513=64, 4.8/7514=64...(14) * HE3 LYS 94 + H LYS 94 OK 25 100 25 100 5.2-7.0 4.8/7513=64, 4.8/7514=64...(15) HE3 LYS 90 - H LYS 94 far 0 85 0 - 8.0-9.2 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 2.6-2.9 7528=78, 7531/7514=43...(21) H ILE 93 + H LYS 94 OK 97 100 100 97 2.6-2.9 7498=58, 7493/7507=37...(19) 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 3 assignments used, quality = 0.54: * H PHE 96 + H LYS 94 OK 54 100 60 91 3.6-4.3 7550/7528=40...(11) H SER 97 - H LYS 94 far 0 100 0 - 4.9-5.2 H LEU 27 - H LYS 94 far 0 79 0 - 9.2-10.1 Violated in 20 structures by 0.81 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 6 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 79 100 100 79 3.9-4.9 7502/7528=34...(11) HA ALA 89 - H GLU 95 far 0 98 0 - 7.7-8.5 HB2 SER 102 - H GLU 95 far 0 100 0 - 8.4-16.1 HA2 GLY 100 - H GLU 95 far 0 90 0 - 8.8-11.5 HA2 GLY 101 - H GLU 95 far 0 90 0 - 9.5-14.0 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 3.4-3.9 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 4.1-4.6 3.6/7528=94...(13) 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 2.6-2.9 7521=51, 7514/7531=50...(21) H LEU 103 - H GLU 95 far 0 88 0 - 9.7-15.7 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 7 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 58 90 90 71 3.9-4.9 7512/7528=27...(11) HA ALA 22 - H GLU 95 far 0 59 0 - 7.5-8.8 HA ALA 89 - H GLU 95 far 0 68 0 - 7.7-8.5 HB2 SER 102 - H GLU 95 far 0 81 0 - 8.4-16.1 HA2 GLY 100 - H GLU 95 far 0 100 0 - 8.8-11.5 HA2 GLY 101 - H GLU 95 far 0 100 0 - 9.5-14.0 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 2 assignments used, quality = 1.00: * HB2 LYS 94 + H GLU 95 OK 100 100 100 100 3.5-4.1 1.8/7531=83...(14) HG3 GLU 88 - H GLU 95 far 0 91 0 - 8.7-12.0 Violated in 16 structures by 0.19 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 2.4-3.9 1.8/7530=61...(14) HB2 GLU 98 - H GLU 95 far 0 90 0 - 4.7-7.4 HG12 ILE 93 - H GLU 95 far 0 96 0 - 5.9-7.3 HB2 GLU 99 - H GLU 95 far 0 91 0 - 6.1-9.4 HB3 GLU 99 - H GLU 95 far 0 96 0 - 6.2-9.9 HB3 GLU 98 - H GLU 95 far 0 91 0 - 6.3-7.5 HB2 MET 21 - H GLU 95 far 0 81 0 - 6.5-8.4 Violated in 8 structures by 0.08 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 2.0-4.4 2.9/7531=79, 2.9/7530=73...(15) QB ALA 25 - H GLU 95 far 0 100 0 - 5.6-6.3 QB ALA 89 - H GLU 95 far 0 100 0 - 7.6-8.7 HB3 LEU 27 - H GLU 95 far 0 100 0 - 9.5-10.5 Violated in 2 structures by 0.00 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 2.4-4.7 2.9/7531=85, 4.9=85...(16) HB3 LEU 27 - H GLU 95 far 0 63 0 - 9.5-10.5 Violated in 7 structures by 0.03 A. Peak 7534 from nnoeabs.peaks (1.62, 8.36, 118.50 ppm; 4.77 A): 2 out of 6 assignments used, quality = 0.99: * HD2 LYS 94 + H GLU 95 OK 95 100 95 100 4.4-5.7 3.5/7531=81, 3.5/7530=76...(17) HD3 LYS 94 + H GLU 95 OK 84 84 100 100 4.4-5.4 3.5/7531=81, 3.5/7530=76...(16) HG LEU 27 - H GLU 95 far 0 84 0 - 8.1-9.4 HG2 LYS 24 - H GLU 95 far 0 61 0 - 9.4-12.3 HB3 ARG 79 - H GLU 95 far 0 77 0 - 9.6-12.6 HB2 ARG 79 - H GLU 95 far 0 87 0 - 9.8-12.7 Violated in 5 structures by 0.01 A. Peak 7535 from nnoeabs.peaks (1.60, 8.36, 118.50 ppm; 4.72 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 94 + H GLU 95 OK 100 100 100 100 4.4-5.4 3.5/7531=80, 3.5/7530=74...(16) HD2 LYS 94 + H GLU 95 OK 63 84 75 100 4.4-5.7 3.5/7531=80, 3.5/7530=74...(17) HG3 LYS 90 - H GLU 95 far 0 97 0 - 7.7-9.9 HG LEU 27 - H GLU 95 far 0 100 0 - 8.1-9.4 HG LEU 103 - H GLU 95 far 0 96 0 - 8.6-19.0 HG2 LYS 24 - H GLU 95 far 0 98 0 - 9.4-12.3 HB2 ARG 79 - H GLU 95 far 0 100 0 - 9.8-12.7 Violated in 8 structures by 0.02 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 2.9-2.9 3.0=100 HB3 SER 97 - H GLU 95 far 0 59 0 - 5.4-7.4 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 = 0.98: * HB2 GLU 95 + H GLU 95 OK 98 100 100 98 2.1-3.5 4.0=51, 2.9/7542=48...(16) HG2 GLU 98 - H GLU 95 far 0 99 0 - 5.1-7.8 HG2 GLU 99 - H GLU 95 far 0 95 0 - 5.9-8.0 Violated in 9 structures by 0.10 A. Peak 7540 from nnoeabs.peaks (2.16, 8.36, 118.50 ppm; 3.20 A): 1 out of 2 assignments used, quality = 0.96: * HB3 GLU 95 + H GLU 95 OK 96 100 100 96 2.1-3.6 4.0=50, 2.9/7542=48...(13) HG2 GLU 88 - H GLU 95 far 0 95 0 - 9.1-12.0 Violated in 11 structures by 0.16 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 2.3-3.9 1.8/7542=85...(13) HD3 ARG 81 - H GLU 95 far 0 63 0 - 9.7-13.2 Violated in 13 structures by 0.05 A. Peak 7542 from nnoeabs.peaks (2.52, 8.36, 118.50 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 95 + H GLU 95 OK 100 100 100 100 2.4-3.5 4307=87, 1.8/7541=60...(16) HD2 ARG 91 - H GLU 95 far 0 59 0 - 5.9-8.1 Violated in 1 structures by 0.00 A. Peak 7543 from nnoeabs.peaks (8.21, 8.36, 118.50 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 96 + H GLU 95 OK 99 100 100 99 2.4-2.5 7550=81, 7552/7539=43...(14) H SER 97 + H GLU 95 OK 85 100 95 89 3.9-4.2 7567=35, 7566/3.6=34...(12) 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 2 assignments used, quality = 1.00: H PHE 96 + H GLU 95 OK 99 100 100 99 2.4-2.5 7550=81, 7552/7539=43...(14) * H SER 97 + H GLU 95 OK 85 100 95 89 3.9-4.2 7567=35, 7566/3.6=34...(12) 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 2 assignments used, quality = 0.97: * HA TRP 92 + H PHE 96 OK 97 100 100 97 3.9-4.5 7525/7550=59...(6) HA TRP 92 - H GLU 104 far 0 96 0 - 9.0-16.8 Violated in 2 structures by 0.01 A. Peak 7547 from nnoeabs.peaks (3.54, 8.21, 120.37 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 93 + H PHE 96 OK 99 100 100 99 3.1-3.5 3.6/7522=63...(11) Violated in 0 structures by 0.00 A. Peak 7548 from nnoeabs.peaks (8.26, 8.21, 120.37 ppm; 2.90 A): 1 out of 4 assignments used, quality = 0.67: H LEU 103 + H GLU 104 OK 67 81 100 83 1.9-3.3 3.0/7657=40, 7654=30...(9) ! H LYS 94 - H PHE 96 far 15 100 15 - 3.6-4.3 H LEU 103 - H PHE 96 far 0 88 0 - 8.2-13.5 H LEU 27 - H PHE 96 far 0 88 0 - 9.6-11.1 Violated in 9 structures by 0.13 A. Peak 7549 from nnoeabs.peaks (3.87, 8.21, 120.37 ppm; 4.99 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 94 + H PHE 96 OK 100 100 100 100 4.1-4.8 3.0/7522=94, 3.6/7550=82...(8) HB2 SER 102 + H GLU 104 OK 60 74 95 86 2.1-6.5 4.5/7548=76...(4) HA2 GLY 101 - H GLU 104 far 10 96 10 - 4.9-9.5 HA3 GLY 101 - H GLU 104 far 8 75 10 - 4.2-9.7 HA ARG 91 - H PHE 96 far 0 90 0 - 6.0-6.9 HB2 SER 102 - H PHE 96 far 0 81 0 - 6.9-14.0 HA2 GLY 100 - H PHE 96 far 0 100 0 - 6.9-10.0 HA2 GLY 101 - H PHE 96 far 0 100 0 - 7.2-12.0 HA ALA 22 - H PHE 96 far 0 59 0 - 7.2-8.5 HA ALA 89 - H PHE 96 far 0 68 0 - 8.0-8.8 HA3 GLY 101 - H PHE 96 far 0 82 0 - 8.4-12.5 HA2 GLY 100 - H GLU 104 far 0 96 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 7550 from nnoeabs.peaks (8.36, 8.21, 120.37 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 95 + H PHE 96 OK 99 100 100 99 2.4-2.5 7543=54, 7528/7522=54...(14) H ILE 93 - H PHE 96 far 0 100 0 - 4.4-4.7 H TYR 4 - H PHE 96 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 7551 from nnoeabs.peaks (4.02, 8.21, 120.37 ppm; 4.33 A): 1 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 poor 12 59 20 - 4.6-6.4 HA GLU 95 - H GLU 104 far 0 96 0 - 9.4-15.2 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 = 0.97: * HB2 GLU 95 + H PHE 96 OK 97 100 100 97 2.8-3.8 7539/7550=54, 4.6=49...(9) HG2 GLU 99 - H PHE 96 far 5 95 5 - 4.3-7.0 HG2 GLU 98 - H PHE 96 far 0 99 0 - 5.1-8.0 HG2 GLU 99 - H GLU 104 far 0 89 0 - 6.5-11.4 HB2 GLU 95 - H GLU 104 far 0 96 0 - 7.1-15.0 Violated in 5 structures by 0.02 A. Peak 7553 from nnoeabs.peaks (2.16, 8.21, 120.37 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.99: * HB3 GLU 95 + H PHE 96 OK 96 100 100 96 2.8-4.3 7540/7550=54, 4.6=49...(8) HG2 GLU 104 + H GLU 104 OK 73 93 80 98 2.4-4.7 3.0/7664=58, 3.0/7665=53...(7) HB3 GLU 95 - H GLU 104 far 0 96 0 - 8.3-14.7 HG2 GLU 104 - H PHE 96 far 0 99 0 - 9.7-17.5 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 2.5-5.1 4306=100, 4302/7552=94...(7) HD3 ARG 81 - H GLU 104 far 0 57 0 - 6.0-18.6 HG2 GLU 95 - H GLU 104 far 0 96 0 - 8.3-15.8 HD3 ARG 81 - H PHE 96 far 0 63 0 - 8.8-11.9 Violated in 16 structures by 0.09 A. Peak 7555 from nnoeabs.peaks (2.52, 8.21, 120.37 ppm; 5.41 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 95 + H PHE 96 OK 100 100 100 100 2.3-5.1 2.9/7552=95, 1.8/4306=92...(9) HG3 GLU 95 - H GLU 104 far 0 96 0 - 7.5-16.1 HD2 ARG 91 - H PHE 96 far 0 59 0 - 8.2-10.1 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 2.7-2.8 3.0=100 HA PHE 96 - H GLU 104 far 0 96 0 - 8.4-12.7 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 8 assignments used, quality = 0.98: * HB2 PHE 96 + H PHE 96 OK 98 100 100 98 2.5-2.9 1.8/7558=70, 4.1=54...(12) HB3 HIS 105 - H GLU 104 far 0 63 0 - 4.7-7.6 HB2 HIS 105 - H GLU 104 far 0 77 0 - 5.3-7.6 HB2 TRP 92 - H PHE 96 far 0 100 0 - 5.7-6.3 HD3 ARG 79 - H GLU 104 far 0 79 0 - 6.1-14.2 HD2 ARG 79 - H GLU 104 far 0 75 0 - 6.1-14.8 HD3 ARG 79 - H PHE 96 far 0 85 0 - 7.7-11.5 HD2 ARG 79 - H PHE 96 far 0 82 0 - 8.3-11.3 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 = 0.99: * HB3 PHE 96 + H PHE 96 OK 99 100 100 99 2.2-2.6 1.8/7557=71, 4.1=55...(11) HB3 PHE 96 - H GLU 104 far 0 96 0 - 9.4-15.1 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 7 assignments used, quality = 1.00: * QD PHE 96 + H PHE 96 OK 100 100 100 100 3.9-4.2 2.4/7557=83, 2.4/7558=83...(13) HZ3 TRP 92 - H GLU 104 far 3 65 5 - 4.8-14.0 HZ3 TRP 92 - H PHE 96 far 0 71 0 - 5.3-10.2 QD PHE 96 - H GLU 104 far 0 96 0 - 7.4-12.8 HZ PHE 96 - H PHE 96 far 0 73 0 - 7.7-7.9 HE ARG 91 - H PHE 96 far 0 68 0 - 7.9-11.1 HZ PHE 96 - H GLU 104 far 0 67 0 - 8.9-15.4 Violated in 15 structures by 0.03 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 3 assignments used, quality = 1.00: * H GLU 98 + H PHE 96 OK 100 100 100 100 3.9-4.8 7585/3.0=84, 7579/4.6=83...(8) HD22 ASN 51 - H GLU 104 far 0 70 0 - 9.3-20.9 H MET 21 - H PHE 96 far 0 79 0 - 9.9-11.6 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 4.1-4.8 4325/7571=61...(13) Violated in 4 structures by 0.02 A. Peak 7566 from nnoeabs.peaks (3.87, 8.22, 111.97 ppm; 4.10 A): 1 out of 7 assignments used, quality = 0.99: * HA LYS 94 + H SER 97 OK 99 100 100 99 3.7-4.1 4349/4350=60...(11) HA2 GLY 100 - H SER 97 far 0 100 0 - 5.3-8.2 HA ALA 22 - H SER 97 far 0 59 0 - 6.0-7.5 HA2 GLY 101 - H SER 97 far 0 100 0 - 7.3-10.6 HA ARG 91 - H SER 97 far 0 90 0 - 7.8-8.4 HA3 GLY 101 - H SER 97 far 0 82 0 - 8.4-10.9 HB2 SER 102 - H SER 97 far 0 81 0 - 8.6-13.8 Violated in 0 structures by 0.00 A. Peak 7567 from nnoeabs.peaks (8.36, 8.22, 111.97 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 95 + H SER 97 OK 99 100 100 99 3.9-4.2 3.6/7566=67, 7550/4.6=60...(13) H ILE 93 - H SER 97 far 0 100 0 - 6.2-6.6 H TYR 4 - H SER 97 far 0 100 0 - 8.4-9.2 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 96 100 100 96 3.8-4.1 11014/7566=48...(10) HB3 SER 97 + H SER 97 OK 59 59 100 100 2.2-3.6 4.1=97, 1.8/4350=85...(12) 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 5 assignments used, quality = 0.99: * HB2 PHE 96 + H SER 97 OK 99 100 100 99 2.7-3.0 4.2=65, 1.8/7572=62...(14) HB2 TRP 92 - H SER 97 far 0 100 0 - 8.0-8.6 HB3 ASN 26 - H SER 97 far 0 73 0 - 8.4-11.2 HD3 ARG 79 - H SER 97 far 0 85 0 - 8.5-12.3 HD2 ARG 79 - H SER 97 far 0 82 0 - 9.4-11.8 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 3.7-4.1 4.2=89, 1.8/7571=85...(13) Violated in 4 structures by 0.00 A. Peak 7573 from nnoeabs.peaks (7.03, 8.22, 111.97 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 96 + H SER 97 OK 100 100 100 100 4.0-4.3 4.5=86, 2.4/7571=81...(16) HZ PHE 96 - H SER 97 far 0 73 0 - 7.4-8.1 HZ3 TRP 92 - H SER 97 far 0 71 0 - 7.5-12.7 HE ARG 91 - H SER 97 far 0 68 0 - 9.8-13.0 Violated in 5 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 HA ALA 22 - H SER 97 far 0 99 0 - 6.0-7.5 HB3 SER 102 - H SER 97 far 0 100 0 - 7.0-13.8 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 = 0.99: * HB2 SER 97 + H SER 97 OK 97 100 100 97 2.1-3.6 4350=66, 1.8/4356=58...(11) HB3 SER 97 + H SER 97 OK 63 68 100 94 2.2-3.6 1.8/4350=56, 4.1=48...(12) 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 = 1.00: * HB3 SER 97 + H SER 97 OK 98 100 100 98 2.2-3.6 4356=70, 1.8/4350=56...(13) HB2 SER 97 + H SER 97 OK 63 68 100 94 2.1-3.6 1.8/4356=58, 4.1=48...(11) HA GLU 95 + H SER 97 OK 38 59 100 65 3.8-4.1 3.0/7567=28...(9) 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 2 assignments used, quality = 0.99: * H GLU 98 + H SER 97 OK 99 100 100 99 2.3-2.8 7586=74, 4.5/4356=33...(15) H MET 21 - H SER 97 far 0 79 0 - 9.9-11.5 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 3.7-4.6 7595/7579=83...(14) H GLU 28 - H SER 97 far 0 100 0 - 8.9-10.2 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): 1 out of 7 assignments used, quality = 0.93: * HA LYS 94 + H GLU 98 OK 93 100 95 98 4.3-5.4 7566/7579=64...(8) HA2 GLY 100 - H GLU 98 far 5 100 5 - 5.3-6.8 HB2 SER 102 - H GLU 98 far 0 81 0 - 6.4-14.0 HA ALA 22 - H GLU 98 far 0 59 0 - 7.7-9.4 HA2 GLY 101 - H GLU 98 far 0 100 0 - 8.0-10.0 HA3 GLY 101 - H GLU 98 far 0 82 0 - 8.3-10.3 HA ARG 91 - H GLU 98 far 0 90 0 - 8.4-9.4 Violated in 19 structures by 0.29 A. Peak 7583 from nnoeabs.peaks (4.02, 7.66, 120.59 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.98: * HA GLU 95 + H GLU 98 OK 95 100 100 95 3.0-3.5 4281=44, 11014/7582=43...(10) HB3 SER 97 + H GLU 98 OK 57 59 100 97 2.1-4.3 4.5=68, 4.1/7579=52...(11) 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 3 assignments used, quality = 1.00: H SER 97 + H GLU 98 OK 100 100 100 100 2.3-2.8 7579=93, 4356/4.5=31...(15) * H PHE 96 + H GLU 98 OK 36 100 45 79 3.9-4.8 4.6/7579=30, 3.0/7585=29...(7) H LEU 27 - H GLU 98 far 0 79 0 - 9.2-10.6 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 4.1-5.2 3.6/7579=83...(4) Violated in 6 structures by 0.05 A. Peak 7586 from nnoeabs.peaks (8.22, 7.66, 120.59 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * H SER 97 + H GLU 98 OK 100 100 100 100 2.3-2.8 7579=93, 4356/4.5=31...(15) H PHE 96 + H GLU 98 OK 36 100 45 79 3.9-4.8 4.6/7579=30, 3.0/7585=29...(7) H LEU 27 - H GLU 98 far 0 85 0 - 9.2-10.6 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 3.5-3.6 3.6=100 HB3 SER 102 - H GLU 98 far 0 100 0 - 7.6-13.7 HA ALA 22 - H GLU 98 far 0 99 0 - 7.7-9.4 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 = 0.98: * HB2 SER 97 + H GLU 98 OK 95 100 100 95 3.1-3.9 4.5=55, 4350/7579=51...(8) HB3 SER 97 + H GLU 98 OK 62 68 100 92 2.1-4.3 4.5=55, 4.1/7579=45...(10) 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 = 1.00: * HB3 SER 97 + H GLU 98 OK 98 100 100 98 2.1-4.3 4.5=60, 4356/7579=55...(10) HB2 SER 97 + H GLU 98 OK 64 68 100 94 3.1-3.9 4.5=60, 4.1/7579=48...(8) HA GLU 95 + H GLU 98 OK 45 59 100 75 3.0-3.5 3.6/7563=27...(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 2.8-2.9 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 93 100 100 93 2.1-3.3 4.0=43, 3.0/7594=41...(11) HB3 GLU 98 + H GLU 98 OK 92 100 100 92 3.4-3.6 4.0=43, 3.0/7594=41...(9) HB3 GLU 99 - H GLU 98 far 0 100 0 - 4.0-6.6 HB2 GLU 99 - H GLU 98 far 0 100 0 - 4.5-6.6 HB3 LYS 94 - H GLU 98 far 0 90 0 - 5.6-7.1 HB2 MET 21 - H GLU 98 far 0 100 0 - 8.5-11.4 HG12 ILE 93 - H GLU 98 far 0 100 0 - 8.8-10.1 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 93 100 100 93 2.1-3.3 4.0=43, 3.0/7594=41...(11) * HB3 GLU 98 + H GLU 98 OK 92 100 100 92 3.4-3.6 4.0=43, 3.0/7594=41...(9) HB3 GLU 99 - H GLU 98 far 0 100 0 - 4.0-6.6 HB2 GLU 99 - H GLU 98 far 0 100 0 - 4.5-6.6 HB3 LYS 94 - H GLU 98 far 0 91 0 - 5.6-7.1 HB2 MET 21 - H GLU 98 far 0 100 0 - 8.5-11.4 HG12 ILE 93 - H GLU 98 far 0 100 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 7593 from nnoeabs.peaks (2.21, 7.66, 120.59 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.99: * HG2 GLU 98 + H GLU 98 OK 99 100 100 99 2.0-3.8 1.8/7594=80, 4365/2.9=62...(9) HG2 GLU 99 - H GLU 98 poor 20 100 20 - 4.1-6.8 HB2 GLU 95 - H GLU 98 far 0 99 0 - 4.9-6.1 HG2 MET 1 - H GLU 98 far 0 95 0 - 8.5-12.3 Violated in 3 structures by 0.01 A. Peak 7594 from nnoeabs.peaks (2.47, 7.66, 120.59 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLU 98 + H GLU 98 OK 99 100 100 99 1.9-3.4 1.8/7593=64, 4391=53...(13) HG3 GLU 99 - H GLU 98 far 3 68 5 - 3.9-6.4 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 2.2-3.0 7602=87, 7580/7579=27...(13) 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 3.7-5.0 7619/7595=87...(8) H TRP 92 - H GLU 98 far 0 100 0 - 9.3-10.2 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 3.3-4.8 4281/7595=55...(11) HB3 SER 97 + H GLU 99 OK 44 59 75 99 4.7-6.6 4.5/7595=79, 3.0/7601=73...(8) 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 3.2-4.5 4322=90, 7585/7595=57...(9) 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 3.7-4.6 7580=98, 7579/7595=83...(13) H PHE 96 + H GLU 99 OK 95 100 100 95 4.7-5.4 3.0/7599=67, 4.6/7580=48...(6) H GLU 104 - H GLU 99 far 0 100 0 - 8.4-12.5 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 3 assignments used, quality = 1.00: * HA SER 97 + H GLU 99 OK 100 100 100 100 3.7-5.3 3.6/7595=87, 3.0/7580=73...(7) HB3 SER 102 - H GLU 99 poor 20 100 20 - 4.8-11.8 HA ALA 22 - H GLU 99 far 0 99 0 - 9.9-11.6 Violated in 3 structures by 0.02 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 2.2-3.0 7595=100, 7579/7580=30...(13) 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 3.3-3.6 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: HB2 GLU 99 + H GLU 99 OK 90 100 100 90 2.2-3.6 3.9=46, 3.0/7611=33...(10) HB3 GLU 99 + H GLU 99 OK 89 100 100 89 2.2-3.6 3.9=46, 3.0/7611=33...(9) * HB2 GLU 98 + H GLU 99 OK 73 100 95 77 2.0-4.5 4.0/7595=30, 4.6=28...(12) HB3 GLU 98 + H GLU 99 OK 65 100 90 72 2.5-4.0 4.0/7595=30, 4.6=28...(8) HB3 LYS 94 - H GLU 99 far 0 90 0 - 7.4-9.3 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: HB2 GLU 99 + H GLU 99 OK 90 100 100 90 2.2-3.6 3.9=46, 3.0/7611=33...(10) HB3 GLU 99 + H GLU 99 OK 89 100 100 89 2.2-3.6 3.9=46, 3.0/7611=33...(9) HB2 GLU 98 + H GLU 99 OK 73 100 95 77 2.0-4.5 4.0/7595=30, 4.6=28...(12) * HB3 GLU 98 + H GLU 99 OK 65 100 90 72 2.5-4.0 4.0/7595=30, 4.6=28...(8) HB3 LYS 94 - H GLU 99 far 0 91 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 7606 from nnoeabs.peaks (2.21, 7.79, 120.07 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.98: HG2 GLU 99 + H GLU 99 OK 98 100 100 98 2.0-4.0 1.8/4428=67, 4402/3.0=54...(10) HB2 GLU 95 - H GLU 99 poor 10 99 25 42 4.1-6.0 3.0/7598=21...(3) ! HG2 GLU 98 - H GLU 99 far 10 100 10 - 3.9-5.2 HG2 MET 1 - H GLU 99 far 0 95 0 - 7.7-12.5 Violated in 3 structures by 0.04 A. Peak 7607 from nnoeabs.peaks (2.47, 7.79, 120.07 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.98: * HG3 GLU 98 + H GLU 99 OK 94 100 95 99 3.1-5.2 7594/7595=67...(13) HG3 GLU 99 + H GLU 99 OK 67 68 100 99 2.1-3.9 1.8/7611=78, 4.7=65...(9) 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 2.8-2.9 3.0=100 HA GLU 104 - H GLU 99 far 0 100 0 - 9.9-15.0 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: * HB2 GLU 99 + H GLU 99 OK 90 100 100 90 2.2-3.6 3.9=46, 3.0/7611=33...(10) HB3 GLU 99 + H GLU 99 OK 89 100 100 89 2.2-3.6 3.9=46, 3.0/7611=33...(9) HB2 GLU 98 + H GLU 99 OK 73 100 95 77 2.0-4.5 4.0/7595=30, 4.6=28...(12) HB3 GLU 98 + H GLU 99 OK 65 100 90 72 2.5-4.0 4.0/7595=30, 4.6=28...(8) HB3 LYS 94 - H GLU 99 far 0 91 0 - 7.4-9.3 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 89 100 100 89 2.2-3.6 3.9=46, 3.0/7611=33...(9) HB2 GLU 99 + H GLU 99 OK 89 100 100 90 2.2-3.6 3.9=46, 3.0/7611=33...(9) HB2 GLU 98 + H GLU 99 OK 72 100 95 76 2.0-4.5 4.0/7595=30, 4.6=28...(12) HB3 GLU 98 + H GLU 99 OK 65 100 90 72 2.5-4.0 4.0/7595=30, 4.6=28...(8) HB3 LYS 94 - H GLU 99 far 0 96 0 - 7.4-9.3 HB3 MET 1 - H GLU 99 far 0 68 0 - 9.0-13.4 Violated in 0 structures by 0.00 A. Peak 7611 from nnoeabs.peaks (2.22, 7.79, 120.07 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.98: * HG2 GLU 99 + H GLU 99 OK 98 100 100 98 2.0-4.0 1.8/4428=67, 4402/3.0=54...(10) HG2 GLU 98 - H GLU 99 far 10 100 10 - 3.9-5.2 HB2 GLU 95 - H GLU 99 poor 10 95 25 41 4.1-6.0 3.0/7598=21...(3) HG2 MET 1 - H GLU 99 far 0 88 0 - 7.7-12.5 Violated in 3 structures by 0.04 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 2.1-3.9 4428=84, 1.8/7611=67...(9) HG3 GLU 98 + H GLU 99 OK 48 68 80 88 3.1-5.2 4.9=42, 4366/3.6=35...(11) HG3 MET 1 - H GLU 99 far 0 92 0 - 9.1-12.9 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 2.4-3.0 7619=100, 4.7/4428=40...(15) H TRP 92 - H GLU 99 far 0 100 0 - 9.9-11.1 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 2 assignments used, quality = 0.93: * HA SER 97 + H GLY 100 OK 93 100 100 93 3.4-4.4 10066/10085=43...(6) HB3 SER 102 - H GLY 100 far 10 100 10 - 4.3-9.3 Violated in 2 structures by 0.01 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 3.7-5.4 11026=86, 3.6/7619=85...(9) HA MET 1 - H GLY 100 far 0 77 0 - 7.8-12.6 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 2.4-3.0 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 3.4-3.6 3.6=100 HA MET 1 - H GLY 100 far 0 70 0 - 7.8-12.6 HA GLU 104 - H GLY 100 far 0 100 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 7621 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.07 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 99 + H GLY 100 OK 96 100 100 96 2.2-4.1 4.7=67, 3.9/7619=51...(12) HB3 GLU 99 + H GLY 100 OK 96 100 100 96 2.9-4.1 4.7=67, 3.9/7619=51...(12) HB2 GLU 98 + H GLY 100 OK 39 100 45 86 4.6-6.0 3.0/11026=42...(9) HB3 GLU 98 - H GLY 100 far 5 100 5 - 4.8-6.0 HB3 LYS 94 - H GLY 100 far 0 91 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 7622 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.07 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 99 + H GLY 100 OK 96 100 100 96 2.9-4.1 4.7=67, 3.9/7619=51...(12) HB2 GLU 99 + H GLY 100 OK 96 100 100 96 2.2-4.1 4.7=67, 3.9/7619=51...(12) HB2 GLU 98 + H GLY 100 OK 39 100 45 86 4.6-6.0 3.0/11026=42...(9) HB3 GLU 98 - H GLY 100 far 5 100 5 - 4.8-6.0 HB3 MET 1 - H GLY 100 far 0 68 0 - 6.0-11.4 HB3 LYS 94 - H GLY 100 far 0 96 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 7623 from nnoeabs.peaks (2.22, 8.14, 107.80 ppm; 5.04 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 99 + H GLY 100 OK 100 100 100 100 2.1-5.3 4.7=100 HB2 GLU 95 - H GLY 100 poor 19 95 20 - 5.6-8.3 HG2 MET 1 - H GLY 100 far 9 88 10 - 4.8-9.9 HG2 GLU 98 - H GLY 100 far 0 100 0 - 6.1-7.3 Violated in 1 structures by 0.01 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 2.8-5.2 4.7=100 HG3 GLU 98 + H GLY 100 OK 30 68 45 97 5.4-7.6 4.9/7619=72, 3.9/7618=66...(7) HG3 MET 1 - H GLY 100 far 5 92 5 - 6.6-10.5 Violated in 0 structures by 0.00 A. Peak 7625 from nnoeabs.peaks (3.87, 8.14, 107.80 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HA2 GLY 100 + H GLY 100 OK 100 100 100 100 2.5-2.9 2.9=100 HA2 GLY 101 - H GLY 100 far 0 100 0 - 4.6-5.4 HA3 GLY 101 - H GLY 100 far 0 82 0 - 4.9-5.8 HB2 SER 102 - H GLY 100 far 0 81 0 - 5.4-9.7 HA LYS 94 - H GLY 100 far 0 100 0 - 8.1-9.4 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): 1 out of 2 assignments used, quality = 1.00: * H GLY 101 + H GLY 100 OK 100 100 100 100 2.5-3.9 7629=100, 10099/3.6=49...(7) H SER 102 - H GLY 100 poor 19 65 50 58 3.5-7.2 4.6/7629=51...(4) 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 1 assignment used, quality = 0.91: * H GLY 100 + H GLY 101 OK 91 100 100 91 2.5-3.9 4.6=60, 3.6/10099=37...(8) Violated in 0 structures by 0.00 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 2.3-3.0 3.0=100 * HA2 GLY 100 + H GLY 101 OK 81 100 100 81 2.4-3.6 3.6=63, 2.9/7629=36...(4) HB2 SER 102 - H GLY 101 far 4 81 5 - 3.7-7.3 HA LYS 94 - H GLY 101 far 0 100 0 - 9.8-12.2 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 2.6-3.6 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 2.3-3.0 3.0=100 HA2 GLY 100 + H GLY 101 OK 81 100 100 81 2.4-3.6 3.6=63, 2.9/7629=36...(4) HB2 SER 102 - H GLY 101 far 4 81 5 - 3.7-7.3 HA LYS 94 - H GLY 101 far 0 100 0 - 9.8-12.2 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 95 100 100 95 2.3-3.0 3.0=95, 7640/4.6=8 HA2 GLY 101 + H GLY 101 OK 78 82 100 95 2.4-3.0 3.0=95, 7638/4.6=7 HA2 GLY 100 + H GLY 101 OK 60 82 100 73 2.4-3.6 3.6=54, 2.9/7629=32...(4) HB2 SER 102 - H GLY 101 far 5 100 5 - 3.7-7.3 HA LYS 94 - H GLY 101 far 0 82 0 - 9.8-12.2 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 4 assignments used, quality = 1.00: * HA2 GLY 101 + H SER 102 OK 100 100 100 100 2.1-3.6 3.6=100 HA3 GLY 101 + H SER 102 OK 82 82 100 100 2.3-3.6 3.6=100 HB2 SER 102 + H SER 102 OK 67 81 100 83 2.5-3.9 4.0=76, 4.5/7644=28, 4456/4.6=2 HA2 GLY 100 - H SER 102 far 10 100 10 - 3.6-7.0 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 4 assignments used, quality = 1.00: * HA3 GLY 101 + H SER 102 OK 93 100 100 93 2.3-3.6 3.6=88, 1.8/4450=16...(5) HA2 GLY 101 + H SER 102 OK 77 82 100 93 2.1-3.6 3.6=88, 1.8/4450=25...(5) HB2 SER 102 + H SER 102 OK 75 100 100 75 2.5-3.9 4.0=64, 7646/7644=29, 4456/4.6=2 HA2 GLY 100 - H SER 102 far 8 82 10 - 3.6-7.0 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 2 assignments used, quality = 1.00: * HA SER 102 + H SER 102 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 81 - H SER 102 far 0 94 0 - 9.8-17.9 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 4 assignments used, quality = 1.00: HA3 GLY 101 + H SER 102 OK 93 100 100 93 2.3-3.6 3.6=88, 1.8/4450=16...(5) * HB2 SER 102 + H SER 102 OK 75 100 100 75 2.5-3.9 4.0=64, 7646/7644=29, 4456/4.6=2 HA2 GLY 101 + H SER 102 OK 75 81 100 93 2.1-3.6 3.6=88, 1.8/4450=25...(5) HA2 GLY 100 - H SER 102 far 8 81 10 - 3.6-7.0 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 2.1-4.1 4.0=100 HA SER 97 - H SER 102 far 0 100 0 - 7.4-10.9 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 1 assignment used, quality = 1.00: * H LEU 103 + H SER 102 OK 100 100 100 100 1.9-4.6 4.6=100 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 1.9-4.6 4.6=99, 3.0/7645=90...(8) H GLY 101 - H LEU 103 far 7 65 10 - 4.4-7.7 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 4 assignments used, quality = 0.94: * HA SER 102 + H LEU 103 OK 94 100 100 94 2.1-3.1 4455=77, 3.0/7646=35...(9) HA HIS 106 - H LEU 103 far 0 82 0 - 7.7-11.4 HA ARG 81 - H LEU 103 far 0 94 0 - 8.3-18.4 HA GLN 50 - H LEU 103 far 0 94 0 - 10.0-19.2 Violated in 1 structures by 0.00 A. Peak 7646 from nnoeabs.peaks (3.89, 8.29, 123.60 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.99: * HB2 SER 102 + H LEU 103 OK 99 100 100 99 1.9-4.4 3.0/7645=73, 4.5=63...(8) HA3 GLY 101 - H LEU 103 far 10 100 10 - 3.5-7.1 HA2 GLY 101 - H LEU 103 far 8 81 10 - 3.4-6.8 HA2 GLY 100 - H LEU 103 far 0 81 0 - 6.0-10.5 Violated in 2 structures by 0.04 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 1.9-4.5 4.5=89, 1.8/7646=88...(5) HA SER 97 - H LEU 103 far 0 100 0 - 9.9-13.9 Violated in 2 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 2.3-2.9 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 4 assignments used, quality = 0.88: * HB2 LEU 103 + H LEU 103 OK 79 100 85 93 2.5-4.0 1.8/7650=48, 4474=43...(13) HG LEU 103 + H LEU 103 OK 42 100 45 93 2.0-4.7 4493/7650=37...(12) HD3 LYS 53 - H LEU 103 far 0 71 0 - 5.4-11.7 HB2 ARG 79 - H LEU 103 far 0 96 0 - 5.7-13.9 Violated in 8 structures by 0.01 A. Peak 7650 from nnoeabs.peaks (1.52, 8.29, 123.60 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LEU 103 + H LEU 103 OK 99 100 100 99 2.6-3.8 4.0=76, 1.8/4474=66...(12) HD3 LYS 53 - H LEU 103 far 0 79 0 - 5.4-11.7 HG3 ARG 79 - H LEU 103 far 0 98 0 - 5.4-12.4 HG2 ARG 79 - H LEU 103 far 0 99 0 - 6.8-13.1 Violated in 9 structures by 0.02 A. Peak 7651 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 2.99 A): 2 out of 4 assignments used, quality = 0.88: HB2 LEU 103 + H LEU 103 OK 79 100 85 93 2.5-4.0 1.8/7650=48, 4474=42...(13) * HG LEU 103 + H LEU 103 OK 42 100 45 93 2.0-4.7 4493/7650=37...(12) HD3 LYS 53 - H LEU 103 far 0 77 0 - 5.4-11.7 HB2 ARG 79 - H LEU 103 far 0 94 0 - 5.7-13.9 Violated in 8 structures by 0.02 A. Peak 7652 from nnoeabs.peaks (0.83, 8.29, 123.60 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 103 + H LEU 103 OK 100 100 100 100 2.0-4.9 4499/3.0=77, 4.7=67...(11) QD1 LEU 103 + H LEU 103 OK 61 61 100 100 1.8-4.4 4.7=67, 3.1/7650=66...(12) QD1 LEU 57 - H LEU 103 far 0 100 0 - 7.7-16.8 QD2 LEU 2 - H LEU 103 far 0 94 0 - 8.9-15.3 QD2 LEU 57 - H LEU 103 far 0 75 0 - 9.1-15.3 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 4 assignments used, quality = 1.00: * QD1 LEU 103 + H LEU 103 OK 100 100 100 100 1.8-4.4 4.7=71, 3.1/7650=69...(13) QD2 LEU 103 + H LEU 103 OK 61 61 100 100 2.0-4.9 4.7=71, 3.1/7650=69...(10) QD1 LEU 57 - H LEU 103 far 0 63 0 - 7.7-16.8 QG2 ILE 76 - H LEU 103 far 0 93 0 - 8.5-16.1 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 2 assignments used, quality = 1.00: * H GLU 104 + H LEU 103 OK 100 100 100 100 1.9-3.3 7548=84, 7657/3.0=79...(9) H PHE 96 - H LEU 103 far 0 100 0 - 8.2-13.5 Violated in 0 structures by 0.00 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 3 assignments used, quality = 1.00: * H LEU 103 + H GLU 104 OK 99 100 100 99 1.9-3.3 7654=83, 3.0/7657=72...(9) H LYS 94 + H PHE 96 OK 81 81 100 99 3.6-4.3 7522=84, 3.6/7547=45...(11) H LEU 103 - H PHE 96 far 0 96 0 - 8.2-13.5 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 2 assignments used, quality = 0.96: * HA LEU 103 + H GLU 104 OK 96 100 100 96 2.2-3.4 4473=68, 3.0/7548=48...(7) HA LEU 103 - H PHE 96 far 0 96 0 - 9.8-15.3 Violated in 7 structures by 0.04 A. Peak 7658 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 3.99 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 103 + H GLU 104 OK 100 100 100 100 3.8-4.6 4.3=80, 1.8/7659=76...(9) HG LEU 103 + H GLU 104 OK 84 100 85 99 4.2-5.9 2.1/7661=65, 3.7/7657=63...(8) HB2 ARG 79 - H GLU 104 far 0 96 0 - 6.1-14.7 HD3 LYS 53 - H GLU 104 far 0 71 0 - 6.3-13.5 HD3 LYS 94 - H PHE 96 far 0 92 0 - 6.7-7.6 HD2 LYS 94 - H PHE 96 far 0 53 0 - 6.8-7.9 HG LEU 27 - H PHE 96 far 0 92 0 - 7.0-8.4 HG LEU 103 - H PHE 96 far 0 96 0 - 7.3-17.3 HB2 LEU 3 - H PHE 96 far 0 67 0 - 7.7-9.3 HB2 ARG 79 - H PHE 96 far 0 90 0 - 7.7-10.8 HD3 LYS 53 - H PHE 96 far 0 65 0 - 8.4-10.5 HG3 LYS 90 - H PHE 96 far 0 96 0 - 9.5-11.4 HB2 LEU 103 - H PHE 96 far 0 96 0 - 9.7-17.2 Violated in 8 structures by 0.04 A. Peak 7659 from nnoeabs.peaks (1.52, 8.22, 120.51 ppm; 3.97 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 103 + H GLU 104 OK 100 100 100 100 3.2-4.3 4.3=79, 3.0/7657=75...(9) HG3 ARG 79 - H GLU 104 far 0 98 0 - 5.9-14.0 HG2 ARG 79 - H GLU 104 far 0 99 0 - 6.2-15.5 HD3 LYS 53 - H GLU 104 far 0 79 0 - 6.3-13.5 HB2 ARG 91 - H PHE 96 far 0 57 0 - 7.1-8.8 HG3 ARG 79 - H PHE 96 far 0 93 0 - 7.2-10.7 HG2 ARG 79 - H PHE 96 far 0 93 0 - 7.2-9.7 HB2 LEU 3 - H PHE 96 far 0 70 0 - 7.7-9.3 HG LEU 57 - H PHE 96 far 0 83 0 - 7.9-9.3 HD3 LYS 53 - H PHE 96 far 0 72 0 - 8.4-10.5 HB3 LEU 103 - H PHE 96 far 0 96 0 - 9.1-16.5 Violated in 14 structures by 0.11 A. Peak 7660 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 3.86 A): 2 out of 12 assignments used, quality = 1.00: HB2 LEU 103 + H GLU 104 OK 100 100 100 100 3.8-4.6 4.3=73, 1.8/7659=72...(9) * HG LEU 103 + H GLU 104 OK 74 100 75 98 4.2-5.9 2.1/7661=61, 3.7/7657=60...(8) HB2 ARG 79 - H GLU 104 far 0 94 0 - 6.1-14.7 HD3 LYS 53 - H GLU 104 far 0 77 0 - 6.3-13.5 HD3 LYS 94 - H PHE 96 far 0 90 0 - 6.7-7.6 HG LEU 27 - H PHE 96 far 0 90 0 - 7.0-8.4 HG LEU 103 - H PHE 96 far 0 96 0 - 7.3-17.3 HB2 LEU 3 - H PHE 96 far 0 72 0 - 7.7-9.3 HB2 ARG 79 - H PHE 96 far 0 88 0 - 7.7-10.8 HD3 LYS 53 - H PHE 96 far 0 70 0 - 8.4-10.5 HG3 LYS 90 - H PHE 96 far 0 96 0 - 9.5-11.4 HB2 LEU 103 - H PHE 96 far 0 96 0 - 9.7-17.2 Violated in 18 structures by 0.13 A. Peak 7661 from nnoeabs.peaks (0.83, 8.22, 120.51 ppm; 4.24 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 103 + H GLU 104 OK 100 100 100 100 3.6-5.1 4499/7657=77, 4.9=66...(9) QD1 LEU 103 - H GLU 104 far 9 61 15 - 2.2-5.6 QD2 LEU 57 - H PHE 96 far 0 69 0 - 6.2-7.2 QD1 LEU 57 - H PHE 96 far 0 96 0 - 6.3-7.9 QD1 LEU 103 - H PHE 96 far 0 55 0 - 6.6-15.3 QD2 LEU 103 - H PHE 96 far 0 96 0 - 7.5-14.4 QD1 LEU 57 - H GLU 104 far 0 100 0 - 8.7-18.1 QD2 LEU 57 - H GLU 104 far 0 75 0 - 9.4-16.8 QD2 LEU 64 - H GLU 104 far 0 65 0 - 9.7-20.3 Violated in 19 structures by 0.28 A. Peak 7662 from nnoeabs.peaks (0.86, 8.22, 120.51 ppm; 4.45 A): 2 out of 7 assignments used, quality = 0.90: * QD1 LEU 103 + H GLU 104 OK 75 100 75 100 2.2-5.6 4.9=76, 3.9/7657=71...(10) QD2 LEU 103 + H GLU 104 OK 61 61 100 100 3.6-5.1 4.9=76, 3.9/7657=71...(8) QD1 LEU 57 - H PHE 96 far 0 57 0 - 6.3-7.9 QD1 LEU 103 - H PHE 96 far 0 96 0 - 6.6-15.3 QD2 LEU 103 - H PHE 96 far 0 55 0 - 7.5-14.4 QD1 LEU 57 - H GLU 104 far 0 63 0 - 8.7-18.1 QD2 LEU 64 - H GLU 104 far 0 100 0 - 9.7-20.3 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 3 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 99 - H GLU 104 far 0 100 0 - 5.9-12.0 HA GLU 99 - H PHE 96 far 0 96 0 - 6.8-8.2 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 7 assignments used, quality = 0.95: * HB2 GLU 104 + H GLU 104 OK 95 100 100 95 2.1-2.4 1.8/7665=61, 4521=55...(7) HB ILE 93 - H PHE 96 far 0 95 0 - 5.1-5.7 HB2 LYS 53 - H GLU 104 far 0 73 0 - 7.2-13.6 HB3 LYS 90 - H PHE 96 far 0 79 0 - 8.3-10.2 HB2 LYS 90 - H PHE 96 far 0 96 0 - 8.6-10.4 HB2 LYS 53 - H PHE 96 far 0 67 0 - 8.8-9.9 HB3 LEU 57 - H PHE 96 far 0 90 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 7665 from nnoeabs.peaks (1.87, 8.22, 120.51 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 104 + H GLU 104 OK 99 100 100 99 3.2-3.6 1.8/7664=80, 4528=72...(7) HB2 LYS 53 - H GLU 104 far 0 79 0 - 7.2-13.6 HB VAL 5 - H PHE 96 far 0 94 0 - 8.0-9.7 HB3 LYS 90 - H PHE 96 far 0 59 0 - 8.3-10.2 HB2 LYS 53 - H PHE 96 far 0 72 0 - 8.8-9.9 Violated in 7 structures by 0.02 A. Peak 7666 from nnoeabs.peaks (2.15, 8.22, 120.51 ppm; 3.47 A): 2 out of 4 assignments used, quality = 0.97: HB3 GLU 95 + H PHE 96 OK 86 93 100 92 2.8-4.3 7540/7550=44, 4.6=43...(8) * HG2 GLU 104 + H GLU 104 OK 78 100 80 97 2.4-4.7 3.0/7664=59, 3.0/7665=54...(7) HB3 GLU 95 - H GLU 104 far 0 99 0 - 8.3-14.7 HG2 GLU 104 - H PHE 96 far 0 96 0 - 9.7-17.5 Violated in 1 structures by 0.00 A. Peak 7667 from nnoeabs.peaks (2.10, 8.22, 120.51 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 104 + H GLU 104 OK 100 100 100 100 2.9-4.1 3.0/7664=72, 3.0/7665=66...(7) QE MET 21 - H PHE 96 far 0 96 0 - 5.4-7.2 HB3 GLU 88 - H PHE 96 far 0 85 0 - 9.7-11.7 HG3 GLU 104 - H PHE 96 far 0 96 0 - 9.9-18.5 Violated in 9 structures by 0.03 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 - 8.3-12.2 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 2 assignments used, quality = 1.00: * HA HIS 105 + H HIS 106 OK 100 100 100 100 2.1-3.6 3.6=100 HA ASP 77 - H HIS 106 far 0 87 0 - 9.5-20.5 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 1 assignment used, quality = 1.00: * HB2 HIS 106 + H HIS 106 OK 100 100 100 100 2.2-4.1 4.0=100 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 2.5-3.7 4.0=100 HB3 HIS 105 + H HIS 106 OK 96 99 100 98 1.9-4.7 4.7=87, 4552/3.6=78...(4) HD3 ARG 79 - H HIS 106 far 0 92 0 - 7.7-15.9 HD2 ARG 79 - H HIS 106 far 0 94 0 - 7.8-16.7 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 = 0.94: HA ILE 52 + H LEU 2 OK 94 100 95 99 3.0-5.3 11126=51, 8004/8=48...(14) Violated in 12 structures by 0.26 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 100 100 100 100 3.8-4.5 8039/4.6=71, 8155/67=68...(14) QD TYR 4 + H LEU 3 OK 99 100 100 100 3.7-4.5 4.5/6032=70, 3.7/6024=39...(16) 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 1 assignment used, quality = 0.93: HA LEU 27 + H LEU 3 OK 93 98 100 95 3.7-4.8 8080/4.0=67, 8086/132=57...(5) 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 2 assignments used, quality = 1.00: QE PHE 96 + H TYR 4 OK 100 100 100 100 2.3-3.4 2.2/8120=57...(18) HD21 ASN 10 - H GLU 63 far 0 48 0 - 9.9-14.6 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 = 0.91: HZ PHE 96 + H TYR 4 OK 87 100 90 97 3.0-5.2 2.2/8119=65...(15) QD PHE 96 + H TYR 4 OK 30 59 55 91 4.3-5.6 2.2/8119=65...(12) Violated in 4 structures by 0.06 A. Peak 8121 from nnoeabs.peaks (8.64, 8.36, 119.31 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: H LEU 55 + H TYR 4 OK 100 100 100 100 3.8-4.6 9293=100, 6902/10203=68...(12) Violated in 3 structures by 0.01 A. Peak 8122 from nnoeabs.peaks (8.48, 8.36, 119.31 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: H VAL 54 + H TYR 4 OK 99 99 100 100 4.5-4.9 11100=68, 3.0/10203=62...(13) H LYS 53 + H TYR 4 OK 97 98 100 100 3.2-4.0 11098=83, 8064/99=62...(16) H ALA 67 - H GLU 63 far 0 58 0 - 5.7-6.1 H LEU 2 - H TYR 4 far 0 79 0 - 6.8-8.0 H ARG 79 - H TYR 4 far 0 93 0 - 6.9-7.9 H LEU 29 - H TYR 4 far 0 79 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 8133 from nnoeabs.peaks (0.77, 8.36, 119.31 ppm; 3.90 A): 2 out of 15 assignments used, quality = 0.99: QG1 VAL 54 + H TYR 4 OK 98 99 100 99 3.5-4.8 2.1/9227=54...(14) QD1 LEU 27 + H TYR 4 OK 23 100 25 92 4.5-5.5 8644/8119=37...(14) QD2 LEU 2 - H TYR 4 poor 12 59 35 57 4.5-6.1 5.0/6032=32...(5) QG2 ILE 8 - H GLU 63 far 5 51 10 - 4.7-6.3 QG2 ILE 52 - H TYR 4 far 5 99 5 - 4.7-6.6 QG1 VAL 78 - H TYR 4 far 0 87 0 - 6.1-7.9 QD1 LEU 6 - H TYR 4 far 0 100 0 - 6.3-7.6 QD1 LEU 64 - H GLU 63 far 0 40 0 - 6.4-6.7 QG2 ILE 93 - H TYR 4 far 0 93 0 - 6.5-7.6 QD2 LEU 42 - H TYR 4 far 0 100 0 - 7.1-8.5 QD2 LEU 57 - H TYR 4 far 0 84 0 - 7.4-8.8 QD1 ILE 93 - H TYR 4 far 0 100 0 - 7.6-9.8 HG13 ILE 93 - H TYR 4 far 0 84 0 - 8.3-11.2 QD2 LEU 70 - H GLU 63 far 0 29 0 - 8.6-10.7 QD1 ILE 76 - H TYR 4 far 0 75 0 - 8.8-10.1 Violated in 12 structures by 0.05 A. Peak 8134 from nnoeabs.peaks (0.66, 8.36, 119.31 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 54 + H TYR 4 OK 100 100 100 100 2.8-4.1 9227=63, 2.1/8133=53...(18) QG2 VAL 58 + H GLU 63 OK 48 49 100 97 3.9-4.7 10220/4.0=37...(19) QD1 ILE 52 - H TYR 4 far 0 61 0 - 5.0-6.5 QD2 LEU 6 - H TYR 4 far 0 77 0 - 5.6-8.1 QD1 LEU 29 - H TYR 4 far 0 100 0 - 7.6-8.2 QD2 LEU 29 - H TYR 4 far 0 97 0 - 8.7-9.4 QD1 LEU 42 - H TYR 4 far 0 73 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 8137 from nnoeabs.peaks (1.88, 8.36, 119.31 ppm; 4.81 A): 3 out of 7 assignments used, quality = 0.94: HB VAL 54 + H TYR 4 OK 75 100 75 100 5.0-6.0 2.1/9227=80...(10) HB2 LYS 53 + H TYR 4 OK 59 59 100 99 4.6-5.5 1.8/8138=81...(9) HB3 LYS 66 + H GLU 63 OK 40 49 85 95 4.8-5.8 2771/2.9=79, ~2884=45...(8) HB VAL 5 - H TYR 4 far 0 93 0 - 5.9-6.6 HB ILE 8 - H GLU 63 far 0 53 0 - 6.0-7.5 HB3 LYS 68 - H GLU 63 far 0 56 0 - 8.6-11.0 HG LEU 42 - H TYR 4 far 0 96 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 8138 from nnoeabs.peaks (1.69, 8.36, 119.31 ppm; 4.76 A): 1 out of 8 assignments used, quality = 1.00: HB3 LYS 53 + H TYR 4 OK 100 100 100 100 3.5-4.8 8114/6037=72...(14) HD3 LYS 66 - H GLU 63 poor 11 56 20 - 4.8-8.4 HB2 LEU 2 - H TYR 4 far 5 99 5 - 5.4-7.7 HB ILE 52 - H TYR 4 far 0 91 0 - 6.7-7.8 HB3 ARG 79 - H TYR 4 far 0 63 0 - 7.5-10.7 HD2 LYS 68 - H GLU 63 far 0 28 0 - 8.4-11.9 HD2 LYS 47 - H TYR 4 far 0 99 0 - 9.7-15.6 HG LEU 70 - H GLU 63 far 0 57 0 - 10.0-10.7 Violated in 1 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 4.6-5.1 2.9/8172=94, 8695=85...(15) H ILE 7 - H VAL 5 poor 20 100 20 - 6.1-7.1 H VAL 54 - H VAL 5 far 0 84 0 - 7.2-7.8 H LYS 53 - H VAL 5 far 0 100 0 - 7.4-8.3 H THR 31 - H VAL 5 far 0 73 0 - 7.5-8.2 H ARG 79 - H VAL 5 far 0 68 0 - 8.6-9.3 H VAL 32 - H VAL 5 far 0 96 0 - 9.3-10.2 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 4.2-4.6 9295/3.0=96...(13) 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 3.3-4.0 10505=90, 6476/8172=76...(14) Violated in 0 structures by 0.00 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 4.2-5.4 8650=79, 8655/3.6=67...(9) HE ARG 30 - H VAL 5 far 5 93 5 - 5.6-8.3 H LEU 3 - H VAL 5 far 0 65 0 - 7.0-7.3 H TYR 41 - H VAL 5 far 0 96 0 - 9.7-10.6 Violated in 12 structures by 0.19 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 2.3-2.9 8694=71, 8173/6053=49...(14) Violated in 0 structures by 0.00 A. Peak 8183 from nnoeabs.peaks (0.66, 8.92, 119.95 ppm; 4.06 A): 3 out of 7 assignments used, quality = 0.93: QG2 VAL 54 + H VAL 5 OK 73 100 75 98 4.3-5.6 9239/6048=45...(12) QD2 LEU 6 + H VAL 5 OK 54 77 75 93 2.9-5.4 8209/6050=29...(19) QD1 LEU 29 + H VAL 5 OK 40 100 40 99 4.5-5.5 10500/6055=56...(14) QD2 LEU 29 - H VAL 5 far 0 97 0 - 5.3-5.8 QD1 ILE 52 - H VAL 5 far 0 61 0 - 7.0-8.6 QD1 ILE 7 - H VAL 5 far 0 65 0 - 8.0-8.8 QD1 LEU 42 - H VAL 5 far 0 73 0 - 9.0-10.2 Violated in 5 structures by 0.01 A. Peak 8184 from nnoeabs.peaks (1.16, 8.92, 119.95 ppm; 4.78 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 29 + H VAL 5 OK 100 100 100 100 3.9-5.1 2.9/8172=84...(12) HB2 LEU 6 + H VAL 5 OK 22 91 25 97 5.5-6.6 6064/4.7=46, 3.1/8183=25...(16) HB3 LEU 3 - H VAL 5 far 0 99 0 - 6.0-6.9 QG2 THR 31 - H VAL 5 far 0 94 0 - 7.6-8.3 HB2 LEU 57 - H VAL 5 far 0 63 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 8185 from nnoeabs.peaks (1.34, 8.92, 119.95 ppm; 5.20 A): 2 out of 7 assignments used, quality = 0.98: HB3 LEU 27 + H VAL 5 OK 94 100 100 94 4.6-5.7 8634/6055=75...(6) HB3 ARG 30 + H VAL 5 OK 65 81 95 85 4.2-6.8 4.0/8162=67, 8233/4.7=34...(6) QB ALA 25 - H VAL 5 far 0 100 0 - 7.8-8.9 HB3 LEU 2 - H VAL 5 far 0 99 0 - 8.2-10.6 QB ALA 89 - H VAL 5 far 0 100 0 - 9.0-10.3 QB ALA 67 - H VAL 5 far 0 100 0 - 9.7-10.4 HG12 ILE 8 - H VAL 5 far 0 92 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 8186 from nnoeabs.peaks (1.45, 8.92, 119.95 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: HG LEU 29 + H VAL 5 OK 98 99 100 99 4.4-4.9 3.6/8172=68...(10) QB ALA 22 + H VAL 5 OK 87 99 90 97 4.9-5.6 8578/6055=52...(13) HB2 LEU 27 - H VAL 5 far 0 98 0 - 5.5-6.7 HG13 ILE 52 - H VAL 5 far 0 98 0 - 7.2-9.1 HG12 ILE 7 - H VAL 5 far 0 91 0 - 9.2-10.1 QB ALA 71 - H VAL 5 far 0 68 0 - 9.2-10.3 HG3 LYS 53 - H VAL 5 far 0 88 0 - 9.6-11.3 HB2 LEU 38 - H VAL 5 far 0 99 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 8187 from nnoeabs.peaks (1.56, 8.92, 119.95 ppm; 4.42 A): 3 out of 11 assignments used, quality = 0.98: HB3 GLU 28 + H VAL 5 OK 94 100 95 99 4.1-5.6 10490=67, 1.8/8188=62...(9) HG LEU 6 + H VAL 5 OK 59 63 100 93 3.8-4.8 2.1/8183=26, 209/4.7=25...(20) HB3 LEU 29 + H VAL 5 OK 24 70 35 99 5.2-5.9 2.9/8172=75, 1.8/8184=57...(11) HG3 ARG 30 - H VAL 5 far 7 73 10 - 5.2-7.6 HB2 LEU 3 - H VAL 5 far 0 99 0 - 6.0-6.9 HG12 ILE 56 - H VAL 5 far 0 75 0 - 6.9-9.0 HG LEU 27 - H VAL 5 far 0 65 0 - 7.6-8.5 HG2 ARG 19 - H VAL 5 far 0 88 0 - 8.2-11.5 HG2 ARG 79 - H VAL 5 far 0 81 0 - 8.9-12.3 HB2 ARG 79 - H VAL 5 far 0 61 0 - 9.1-11.8 HG3 ARG 79 - H VAL 5 far 0 82 0 - 9.9-12.6 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 = 0.79: HB2 GLU 28 + H VAL 5 OK 79 100 80 99 3.9-6.3 1.8/10490=80...(5) HB VAL 78 - H VAL 5 far 0 71 0 - 8.0-10.8 HB ILE 56 - H VAL 5 far 0 96 0 - 9.0-10.0 HG3 ARG 19 - H VAL 5 far 0 98 0 - 9.2-11.3 Violated in 4 structures by 0.22 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 3.2-4.1 9294=99, 9295/6059=77...(15) H ALA 18 - H LEU 6 far 0 90 0 - 9.8-10.9 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 2.4-3.3 3.2/8232=46...(14) HA THR 31 - H LEU 6 far 0 100 0 - 6.4-7.0 HA ARG 30 - H LEU 6 far 0 85 0 - 7.1-7.5 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 4.5-5.0 2.9/8199=94...(11) HA ARG 79 - H LEU 6 far 0 84 0 - 8.8-9.6 HA LEU 27 - H LEU 6 far 0 70 0 - 9.5-11.2 HA LYS 82 - H LEU 6 far 0 96 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 8232 from nnoeabs.peaks (0.61, 9.31, 126.92 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.98: QG2 ILE 56 + H LEU 6 OK 98 98 100 100 3.9-4.6 9311=69, 3.2/8216=67...(16) QD2 LEU 29 - H LEU 6 far 4 75 5 - 5.0-6.5 QD1 ILE 7 - H LEU 6 far 0 99 0 - 5.8-7.1 Violated in 11 structures by 0.08 A. Peak 8233 from nnoeabs.peaks (1.37, 9.31, 126.92 ppm; 5.59 A): 1 out of 6 assignments used, quality = 0.93: HB3 ARG 30 + H LEU 6 OK 93 100 95 98 5.4-7.4 8699/2.9=70, ~8696=54...(9) HG12 ILE 8 - H LEU 6 far 10 100 10 - 6.4-7.7 QB ALA 67 - H LEU 6 far 0 75 0 - 6.5-7.3 QB ALA 89 - H LEU 6 far 0 79 0 - 7.3-8.3 HB3 LEU 27 - H LEU 6 far 0 87 0 - 7.3-9.2 QB ALA 25 - H LEU 6 far 0 79 0 - 9.0-10.7 Violated in 17 structures by 0.21 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 4.1-4.7 9332/3.0=94, 10685=90...(20) H VAL 5 - H ILE 7 poor 18 91 20 - 6.1-7.1 H ARG 19 - H ILE 7 far 0 59 0 - 7.6-9.3 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 1 assignment used, quality = 0.99: H ARG 30 + H ILE 7 OK 99 100 100 99 3.7-4.6 8698/6072=75, 6475=49...(14) Violated in 6 structures by 0.03 A. Peak 8251 from nnoeabs.peaks (4.89, 8.46, 119.78 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.91: HA THR 31 + H ILE 7 OK 91 100 100 91 2.5-3.0 8255/4.0=37...(11) HA ILE 56 - H ILE 7 far 0 99 0 - 4.5-5.5 HA ARG 30 - H ILE 7 far 0 92 0 - 5.1-5.6 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 = 0.98: HB THR 31 + H ILE 7 OK 98 100 100 99 4.9-5.7 3.0/8251=88, 8264/4.0=55...(5) Violated in 19 structures by 0.37 A. Peak 8269 from nnoeabs.peaks (1.84, 8.46, 119.78 ppm; 5.26 A): 2 out of 3 assignments used, quality = 0.99: HB3 LEU 57 + H ILE 7 OK 98 98 100 100 4.4-5.4 8272/3.0=86, 8284/257=65...(21) HB VAL 5 + H ILE 7 OK 45 85 55 95 5.3-6.8 4.4/6071=64...(8) HB ILE 93 - H ILE 7 far 0 71 0 - 9.5-11.3 Violated in 0 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 = 0.93: HB VAL 32 + H ILE 7 OK 93 100 100 93 3.8-5.1 8728/8252=46...(12) HB3 ARG 19 - H ILE 7 far 0 99 0 - 7.2-11.1 HB2 GLU 37 - H ILE 7 far 0 59 0 - 7.3-8.5 HB3 LEU 14 - H ILE 7 far 0 65 0 - 8.9-10.5 HB2 LYS 33 - H ILE 7 far 0 91 0 - 9.4-10.8 HB3 LYS 33 - H ILE 7 far 0 88 0 - 9.5-10.9 Violated in 1 structures by 0.00 A. Peak 8288 from nnoeabs.peaks (1.19, 8.80, 128.92 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 57 + H ILE 8 OK 99 100 100 100 3.8-4.8 1.8/8289=85...(12) HB2 LEU 6 - H ILE 8 far 5 99 5 - 5.4-6.8 QB ALA 18 - H ILE 8 far 0 59 0 - 6.0-6.6 QG2 THR 34 - H ILE 8 far 0 97 0 - 9.2-10.4 Violated in 9 structures by 0.08 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 3.3-4.2 1.8/8288=70...(16) HB2 GLU 88 - H ILE 8 far 0 98 0 - 9.9-10.9 Violated in 0 structures by 0.00 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 4.5-5.5 3.0/8298=95...(11) 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 3 assignments used, quality = 1.00: H LEU 57 + H ILE 8 OK 100 100 100 100 3.4-4.2 9332/6087=74, 9331=60...(16) H ARG 19 - H ILE 8 far 0 87 0 - 9.3-10.6 H VAL 5 - H ILE 8 far 0 100 0 - 10.0-10.8 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 = 0.98: HA VAL 58 + H ILE 8 OK 98 100 100 98 2.6-3.3 9374/6094=55, 2654=49...(12) 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 = 0.99: QG2 THR 31 + H SER 9 OK 99 100 100 99 4.2-5.2 10515=63, 6507/8346=57...(9) QG2 THR 34 - H SER 9 far 0 73 0 - 7.2-8.5 HB2 LEU 6 - H SER 9 far 0 63 0 - 7.7-9.5 HG3 LYS 82 - H SER 9 far 0 100 0 - 9.8-11.6 Violated in 14 structures by 0.14 A. Peak 8315 from nnoeabs.peaks (1.53, 7.81, 116.36 ppm; 5.07 A): 1 out of 6 assignments used, quality = 0.32: HG3 LYS 33 + H SER 9 OK 32 88 65 56 5.0-6.5 8726/8337=30...(4) HB2 LEU 14 - H SER 9 far 5 100 5 - 5.8-8.3 HB ILE 7 - H SER 9 far 0 100 0 - 6.2-6.3 HG2 LYS 33 - H SER 9 far 0 91 0 - 6.7-8.1 HG LEU 57 - H SER 9 far 0 84 0 - 9.0-9.9 HG12 ILE 56 - H SER 9 far 0 100 0 - 9.3-12.4 Violated in 18 structures by 0.62 A. Peak 8316 from nnoeabs.peaks (1.73, 7.81, 116.36 ppm; 5.43 A): 1 out of 8 assignments used, quality = 0.71: HG12 ILE 15 + H SER 9 OK 71 71 100 99 3.9-4.9 2.1/8436=83...(9) HB ILE 15 - H SER 9 poor 20 100 20 - 6.1-6.9 HD2 LYS 33 - H SER 9 far 5 100 5 - 5.9-9.1 HD2 LYS 12 - H SER 9 far 0 84 0 - 6.5-10.8 HD3 LYS 33 - H SER 9 far 0 100 0 - 6.6-8.8 HD3 LYS 12 - H SER 9 far 0 84 0 - 7.5-11.0 HG3 ARG 19 - H SER 9 far 0 70 0 - 9.1-12.6 HB ILE 56 - H SER 9 far 0 63 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8332 from nnoeabs.peaks (0.77, 8.65, 122.44 ppm; 3.97 A): 3 out of 16 assignments used, quality = 0.99: QD1 ILE 93 + H ALA 18 OK 89 100 90 99 4.1-5.2 10020/2.9=74...(16) QD1 ILE 15 + H ASN 10 OK 81 83 100 98 3.9-4.5 8356/3.0=63, 8357/4.0=35...(14) QD1 ILE 15 + H ASP 11 OK 61 63 100 98 3.0-3.7 8356/3.6=55, 8380/4.7=34...(18) HG13 ILE 15 - H ASP 11 poor 17 60 40 71 4.6-6.4 2.1/8439=28, ~8448=13...(13) QG2 ILE 7 - H ALA 18 far 0 73 0 - 5.0-5.6 QG2 ILE 8 - H ASN 10 far 0 73 0 - 5.0-5.6 QD1 ILE 15 - H ALA 18 far 0 100 0 - 5.5-6.5 HG13 ILE 15 - H ASN 10 far 0 80 0 - 5.6-7.3 HG13 ILE 15 - H ALA 18 far 0 98 0 - 5.8-6.2 HG13 ILE 93 - H ALA 18 far 0 88 0 - 5.9-8.2 QG2 ILE 7 - H ASP 11 far 0 40 0 - 5.9-6.7 QG2 ILE 7 - H ASN 10 far 0 55 0 - 6.3-6.9 QG2 ILE 93 - H ALA 18 far 0 96 0 - 6.4-7.6 QG2 ILE 8 - H ASP 11 far 0 53 0 - 6.4-6.9 QD2 LEU 57 - H ALA 18 far 0 79 0 - 6.7-9.0 QD1 LEU 27 - H ALA 18 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 8333 from nnoeabs.peaks (0.67, 8.65, 122.44 ppm; 4.18 A): 5 out of 16 assignments used, quality = 0.99: QD1 LEU 29 + H ALA 18 OK 93 96 100 98 4.0-4.8 8672/2.9=74...(15) QD2 LEU 29 + H ALA 18 OK 44 82 55 97 4.5-5.5 ~8672=45, 8693/6281=44...(17) QD2 LEU 14 + H ALA 18 OK 37 59 70 90 4.1-5.4 4.0/8395=37...(14) QD1 LEU 14 + H ASP 11 OK 24 62 40 97 4.5-5.8 8398=63, 2.1/8400=29...(14) QD2 LEU 14 + H ASP 11 OK 23 31 80 94 3.9-5.2 2.1/8398=54, ~8421=20...(20) QD2 LEU 14 - H ASN 10 poor 18 44 40 - 4.3-6.0 QD1 LEU 14 - H ASN 10 far 4 83 5 - 5.0-6.3 QD1 LEU 14 - H ALA 18 far 0 99 0 - 5.2-6.7 QD1 ILE 8 - H ASN 10 far 0 42 0 - 8.0-8.4 QG2 VAL 58 - H ASN 10 far 0 84 0 - 8.2-9.4 QD1 ILE 8 - H ASP 11 far 0 30 0 - 9.1-9.4 QG2 VAL 58 - H ASP 11 far 0 63 0 - 9.3-10.3 QD2 LEU 29 - H ASP 11 far 0 46 0 - 9.4-10.5 QD2 LEU 6 - H ALA 18 far 0 95 0 - 9.5-10.8 QD1 LEU 29 - H ASP 11 far 0 57 0 - 9.7-10.5 QD2 LEU 29 - H ASN 10 far 0 63 0 - 9.9-11.3 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 99 100 100 99 3.8-4.6 9940=74, 12030/2.9=69...(10) HG LEU 14 + H ALA 18 OK 79 96 85 97 4.3-5.8 611/8395=45, ~12013=38...(14) HG LEU 14 - H ASP 11 far 0 57 0 - 6.3-7.0 HG LEU 14 - H ASN 10 far 0 77 0 - 7.3-8.5 QB ALA 89 - H ASP 11 far 0 63 0 - 7.8-9.0 QB ALA 89 - H ASN 10 far 0 84 0 - 8.2-9.9 HG12 ILE 8 - H ASN 10 far 0 60 0 - 8.4-8.8 QB ALA 25 - H ALA 18 far 0 100 0 - 9.2-10.3 HG12 ILE 8 - H ASP 11 far 0 43 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 8335 from nnoeabs.peaks (1.71, 8.65, 122.44 ppm; 4.96 A): 1 out of 31 assignments used, quality = 0.93: HB ILE 15 + H ALA 18 OK 93 93 100 100 5.4-5.7 3.0/6263=77...(12) HG12 ILE 15 - H ASP 11 poor 20 56 35 - 5.6-6.4 HB ILE 15 - H ASP 11 poor 19 54 35 - 5.6-6.4 HD2 LYS 20 - H ALA 18 poor 17 71 45 54 4.6-7.7 5.9/6296=39, 10436/757=8...(5) HD3 LYS 90 - H ALA 18 poor 17 97 30 59 3.8-8.6 10433/6269=30...(6) HD3 LYS 20 - H ALA 18 poor 17 65 50 52 4.5-7.9 5.9/6296=39, 10436/757=7...(5) HG3 LYS 20 - H ALA 18 poor 13 65 35 56 4.9-7.9 4.9/6296=49, 894/3.6=11 HD2 LYS 90 - H ALA 18 far 8 79 10 - 4.4-8.0 HD2 LYS 12 - H ASP 11 far 6 61 10 - 4.9-8.7 HD3 LYS 12 - H ASP 11 far 6 61 10 - 5.3-8.6 HD2 LYS 12 - H ASN 10 far 0 82 0 - 6.2-10.5 HG12 ILE 15 - H ALA 18 far 0 95 0 - 6.4-7.3 HG12 ILE 15 - H ASN 10 far 0 76 0 - 6.5-7.1 HD3 LYS 13 - H ASP 11 far 0 62 0 - 6.6-9.8 HD2 LYS 13 - H ALA 18 far 0 99 0 - 6.6-10.4 HD3 LYS 12 - H ASN 10 far 0 82 0 - 6.7-10.3 HG2 PRO 86 - H ALA 18 far 0 94 0 - 7.1-8.7 HB ILE 15 - H ASN 10 far 0 74 0 - 7.1-7.8 HD2 LYS 13 - H ASP 11 far 0 61 0 - 7.3-9.6 HD3 LYS 13 - H ALA 18 far 0 99 0 - 7.6-10.7 HD2 LYS 33 - H ASN 10 far 0 79 0 - 7.6-11.6 HD2 LYS 33 - H ASP 11 far 0 59 0 - 8.2-11.9 HD3 LYS 33 - H ASN 10 far 0 79 0 - 8.2-10.9 HD3 LYS 12 - H ALA 18 far 0 99 0 - 8.3-11.8 HD3 LYS 13 - H ASN 10 far 0 83 0 - 8.5-12.0 HD2 LYS 12 - H ALA 18 far 0 99 0 - 8.5-12.0 HG2 PRO 86 - H ASP 11 far 0 55 0 - 8.8-10.8 HD3 LYS 33 - H ASP 11 far 0 59 0 - 8.8-11.4 HD2 LYS 13 - H ASN 10 far 0 82 0 - 9.2-11.7 HB3 ARG 91 - H ALA 18 far 0 81 0 - 9.3-11.7 HD3 LYS 24 - H ALA 18 far 0 97 0 - 9.5-13.2 Violated in 20 structures by 0.62 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 4.8-6.0 2.1/8314=94...(9) Violated in 6 structures by 0.10 A. Peak 8338 from nnoeabs.peaks (4.91, 7.81, 116.36 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.94: HA ASN 10 + H SER 9 OK 80 84 100 96 4.6-4.6 ~6114=50, 8449/8436=48...(7) HA THR 31 + H SER 9 OK 67 87 80 97 5.4-6.0 3.2/8314=70, 3.6/8346=70...(4) HA ILE 56 - H SER 9 far 0 71 0 - 8.9-9.5 HA ARG 30 - H SER 9 far 0 100 0 - 9.8-10.4 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 5.5-5.6 6087/6101=90...(11) Violated in 20 structures by 0.15 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 4.5-5.0 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 4.1-4.5 10147/6102=64, 10516=63...(16) H ILE 7 - H SER 9 far 0 70 0 - 6.0-6.5 H THR 31 - H SER 9 far 0 100 0 - 8.1-8.7 Violated in 11 structures by 0.04 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 2.1-3.8 4.1/6114=63, 2.8/6116=60...(8) HG SER 9 - H ALA 18 far 0 85 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 8369 from nnoeabs.peaks (0.71, 8.67, 122.72 ppm; 3.93 A): 1 out of 10 assignments used, quality = 0.74: QD2 LEU 14 + H ASP 11 OK 74 100 75 99 3.9-5.2 2.1/8398=54, 3.1/8370=41...(19) QD2 LEU 14 - H ALA 18 poor 19 64 30 - 4.1-5.4 QD1 LEU 14 - H ASP 11 poor 15 77 20 - 4.5-5.8 QD1 LEU 14 - H ALA 18 far 0 42 0 - 5.2-6.7 HG13 ILE 93 - H ALA 18 far 0 35 0 - 5.9-8.2 QG1 VAL 5 - H ALA 18 far 0 54 0 - 6.4-7.7 QG1 VAL 58 - H ASP 11 far 0 98 0 - 8.8-10.0 QD1 ILE 8 - H ASP 11 far 0 100 0 - 9.1-9.4 QG2 VAL 58 - H ASP 11 far 0 73 0 - 9.3-10.3 QD2 LEU 6 - H ALA 18 far 0 52 0 - 9.5-10.8 Violated in 20 structures by 0.69 A. Peak 8370 from nnoeabs.peaks (1.90, 8.67, 122.72 ppm; 4.06 A): 2 out of 19 assignments used, quality = 0.99: HB3 LEU 14 + H ASP 11 OK 99 100 100 99 3.6-4.3 3.1/8369=60, 1.8/8371=50...(16) HB3 ARG 19 + H ALA 18 OK 34 45 80 95 4.5-6.1 3.9/6281=55, 4.1/6296=35...(13) HB2 ARG 19 - H ALA 18 far 6 62 10 - 4.3-6.1 HB3 LYS 20 - H ALA 18 far 6 38 15 - 4.6-6.6 HB2 LYS 20 - H ALA 18 far 3 60 5 - 4.8-7.6 HB3 LEU 14 - H ALA 18 far 0 64 0 - 5.8-6.8 HB2 LYS 13 - H ASP 11 far 0 96 0 - 6.0-7.9 HB3 LYS 13 - H ASP 11 far 0 98 0 - 6.2-8.1 HB3 LYS 12 - H ASP 11 far 0 68 0 - 6.2-6.7 HB2 LYS 12 - H ASP 11 far 0 63 0 - 7.1-7.3 HB3 LYS 13 - H ALA 18 far 0 59 0 - 7.1-8.2 HB2 LYS 13 - H ALA 18 far 0 58 0 - 7.5-8.7 HB2 LYS 12 - H ALA 18 far 0 33 0 - 8.3-8.8 HB ILE 8 - H ASP 11 far 0 100 0 - 8.4-8.8 HB2 LYS 33 - H ASP 11 far 0 96 0 - 8.5-11.2 HB3 LYS 33 - H ASP 11 far 0 97 0 - 8.5-11.7 HB3 LYS 12 - H ALA 18 far 0 36 0 - 9.2-9.8 HB2 LYS 94 - H ALA 18 far 0 52 0 - 9.4-12.0 HB VAL 32 - H ASP 11 far 0 59 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 8371 from nnoeabs.peaks (1.52, 8.67, 122.72 ppm; 5.06 A): 1 out of 11 assignments used, quality = 1.00: HB2 LEU 14 + H ASP 11 OK 100 100 100 100 4.1-5.5 3.1/8369=84, 3.1/8398=73...(15) HB ILE 7 - H ALA 18 far 10 64 15 - 5.8-6.6 HB2 LEU 14 - H ALA 18 far 3 64 5 - 5.9-6.9 HG3 LYS 13 - H ASP 11 far 0 84 0 - 6.2-8.8 HG LEU 57 - H ALA 18 far 0 51 0 - 7.1-8.6 HG3 LYS 33 - H ASP 11 far 0 93 0 - 8.3-10.0 HG3 LYS 13 - H ALA 18 far 0 47 0 - 8.4-9.7 HB ILE 7 - H ASP 11 far 0 100 0 - 9.0-9.5 HG3 LYS 24 - H ALA 18 far 0 58 0 - 9.2-12.9 HB2 ARG 91 - H ALA 18 far 0 33 0 - 9.4-12.2 HG2 LYS 33 - H ASP 11 far 0 85 0 - 10.0-11.8 Violated in 5 structures by 0.04 A. Peak 8372 from nnoeabs.peaks (6.07, 8.67, 122.72 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.96: HG SER 9 + H ASP 11 OK 96 100 100 97 2.0-3.8 2.8/10388=50...(12) HG SER 9 - H ALA 18 far 0 63 0 - 8.7-10.1 Violated in 1 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 3.3-4.2 8446/2.9=77, 8438=52...(28) HG13 ILE 15 - H LYS 12 far 0 100 0 - 5.7-7.1 QG2 ILE 8 - H LYS 12 far 0 71 0 - 9.2-9.9 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 4.2-4.9 8446/3.6=84...(12) HG13 ILE 15 - H LYS 13 far 5 100 5 - 5.9-7.6 Violated in 0 structures by 0.00 A. Peak 8384 from nnoeabs.peaks (0.72, 8.07, 119.60 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.64: QD1 ILE 15 + H LYS 13 OK 64 68 100 95 4.2-4.9 8446/3.6=49...(12) QD2 LEU 14 - H LYS 13 far 5 96 5 - 5.9-6.5 HG13 ILE 15 - H LYS 13 far 4 77 5 - 5.9-7.6 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 5.3-5.4 3.0/6182=98, 8391/2.9=70...(5) Violated in 19 structures by 0.05 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 3.4-3.7 3.6/6163=77...(10) 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 4.5-4.9 8369/626=78, 8371/594=69...(12) H ALA 18 + H LEU 14 OK 42 84 50 99 6.0-6.6 10390/6194=69...(10) H ASN 10 - H LEU 14 far 0 57 0 - 6.4-7.1 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 = 0.98: HB2 ASP 11 + H LEU 14 OK 91 91 100 100 4.0-4.4 1.8/12269=67, 8377=61...(14) HG3 GLU 17 + H LEU 14 OK 79 87 95 96 4.5-6.9 8478/3.0=49, ~8477=44...(18) 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 - 9.5-11.6 HA ILE 8 - H LEU 14 far 0 99 0 - 9.6-10.2 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 4 assignments used, quality = 0.98: QB ALA 18 + H GLU 17 OK 92 93 100 99 4.4-4.6 2.9/6266=74...(11) QB ALA 18 + H ILE 15 OK 74 100 75 98 4.6-5.1 643/3.0=73...(11) HB2 LEU 57 - H ILE 15 far 0 75 0 - 8.1-9.6 HB2 LEU 57 - H GLU 17 far 0 65 0 - 9.6-11.0 Violated in 14 structures by 0.04 A. Peak 8461 from nnoeabs.peaks (2.99, 8.07, 118.21 ppm; 4.49 A): 2 out of 15 assignments used, quality = 0.99: HB3 ASP 11 + H ILE 15 OK 96 100 100 97 4.1-5.0 8379/6209=46...(14) HB2 SER 9 + H ILE 15 OK 78 100 80 97 4.2-5.9 8324/6215=45...(13) HE2 LYS 12 - H ILE 15 far 0 92 0 - 5.4-8.2 HE2 LYS 13 - H GLU 17 far 0 72 0 - 5.6-9.8 HE3 LYS 12 - H ILE 15 far 0 90 0 - 6.5-8.9 HE3 LYS 13 - H GLU 17 far 0 69 0 - 6.9-9.6 HE2 LYS 13 - H ILE 15 far 0 82 0 - 7.1-9.6 HB3 ASP 11 - H GLU 17 far 0 92 0 - 7.1-7.9 HE2 LYS 12 - H GLU 17 far 0 82 0 - 7.3-11.6 HE3 LYS 12 - H GLU 17 far 0 79 0 - 7.5-11.6 HE3 LYS 13 - H ILE 15 far 0 79 0 - 7.5-8.8 HB2 SER 9 - H GLU 17 far 0 93 0 - 8.1-9.6 HE3 LYS 33 - H ILE 15 far 0 71 0 - 8.3-13.2 HE2 LYS 33 - H ILE 15 far 0 71 0 - 8.3-13.8 HE3 LYS 24 - H GLU 17 far 0 75 0 - 10.0-16.1 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 4.7-5.1 2.9/6264=95, 643/3.6=90...(12) Violated in 0 structures by 0.00 A. Peak 8473 from nnoeabs.peaks (1.45, 8.02, 118.48 ppm; 5.24 A): 3 out of 10 assignments used, quality = 0.93: HG2 LYS 12 + H GLU 16 OK 83 99 85 98 5.2-6.8 8468/684=66...(5) HG13 ILE 76 + H ARG 46 OK 46 58 80 100 4.1-6.6 2.1/9630=87...(17) HG2 LYS 47 + H ARG 46 OK 27 33 100 81 3.5-6.1 4.9/6761=69, 3.0/8475=18...(5) HG2 LYS 20 - H GLU 16 far 15 100 15 - 6.0-8.4 HG13 ILE 52 - H ARG 46 far 0 65 0 - 6.4-7.7 HG2 LYS 13 - H GLU 16 far 0 88 0 - 6.6-7.5 HG12 ILE 7 - H GLU 16 far 0 79 0 - 8.0-8.8 HG LEU 29 - H GLU 16 far 0 94 0 - 8.4-9.6 QB ALA 22 - H GLU 16 far 0 94 0 - 8.6-9.2 HG3 LYS 39 - H ARG 46 far 0 61 0 - 9.0-11.3 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 7 assignments used, quality = 1.00: HB2 LEU 14 + H GLU 16 OK 99 100 100 99 5.1-6.3 594/6204=83, 6211/4.6=73...(5) HG3 LYS 13 + H GLU 16 OK 59 82 80 89 6.0-6.5 3.9/6226=84, 538/6204=29 HG2 LYS 47 + H ARG 46 OK 34 39 100 87 3.5-6.1 4.9/6761=72...(7) HB ILE 7 - H GLU 16 far 0 100 0 - 7.4-8.1 HG LEU 2 - H ARG 46 far 0 63 0 - 8.8-10.0 HG LEU 6 - H ARG 46 far 0 65 0 - 9.3-11.4 HG LEU 57 - H GLU 16 far 0 88 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 8475 from nnoeabs.peaks (1.90, 8.02, 118.48 ppm; 4.04 A): 2 out of 14 assignments used, quality = 0.52: HB2 LYS 12 + H GLU 16 OK 40 71 95 59 4.1-5.0 3.0/6225=38, 3.0/8473=21...(4) HB3 ARG 19 + H GLU 16 OK 21 73 30 94 4.7-7.1 3.9/10416=34, 798/3.0=25...(17) HB3 LYS 47 - H ARG 46 poor 20 47 65 65 4.6-5.2 4.0/6761=54...(4) HB2 GLU 43 - H ARG 46 poor 18 63 35 81 4.7-5.5 3.0/1958=56...(7) HB2 ARG 19 - H GLU 16 far 10 100 10 - 4.5-7.0 HB3 LEU 14 - H GLU 16 far 5 100 5 - 4.8-5.8 HB3 LYS 13 - H GLU 16 far 0 95 0 - 5.2-6.1 HB3 LYS 12 - H GLU 16 far 0 75 0 - 5.3-5.9 HB2 LYS 13 - H GLU 16 far 0 93 0 - 5.5-6.0 HB3 LYS 20 - H GLU 16 far 0 63 0 - 6.7-8.5 HB2 LYS 20 - H GLU 16 far 0 99 0 - 6.9-10.0 HG LEU 42 - H ARG 46 far 0 65 0 - 6.9-7.8 HB VAL 54 - H ARG 46 far 0 61 0 - 7.3-9.8 HB3 LYS 39 - H ARG 46 far 0 37 0 - 9.2-10.8 Violated in 17 structures by 0.18 A. Peak 8476 from nnoeabs.peaks (1.97, 8.02, 118.48 ppm; 4.41 A): 5 out of 11 assignments used, quality = 0.97: 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 HB3 GLU 17 + H GLU 16 OK 45 61 100 73 4.6-5.2 4.6/6264=49, 4.0/6248=40 HB3 ARG 19 + H GLU 16 OK 39 59 70 95 4.7-7.1 3.9/10416=42, ~788=27...(16) HB2 GLU 44 + H ARG 46 OK 28 41 80 85 4.9-5.6 4.7/6734=53, 3.9/6716=46...(6) QE MET 74 - H ARG 46 poor 20 39 50 - 4.6-6.0 HB3 GLU 44 - H ARG 46 poor 8 41 20 - 5.2-6.1 HB2 LYS 47 - H ARG 46 far 0 65 0 - 5.9-6.3 HB2 GLU 17 - H GLU 16 far 0 82 0 - 6.1-6.4 HB3 MET 74 - H ARG 46 far 0 64 0 - 6.3-8.1 HB3 LYS 20 - H GLU 16 far 0 70 0 - 6.7-8.5 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 - 8.5-9.8 H VAL 32 - H ARG 19 far 0 77 0 - 9.3-10.8 Violated in 20 structures by 2.87 A. Peak 8500 from nnoeabs.peaks (8.31, 8.90, 118.56 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.54: H GLU 23 + H ARG 19 OK 54 71 90 83 6.0-6.7 3.6/8506=52...(4) Violated in 20 structures by 0.64 A. Peak 8504 from nnoeabs.peaks (0.80, 8.90, 118.56 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.99: QG2 ILE 15 + H ARG 19 OK 96 97 100 99 3.5-4.2 10415=66, 3.2/6277=47...(16) QD1 ILE 93 + H ARG 19 OK 66 84 85 93 3.9-5.4 10020/6283=56...(9) QG2 ILE 7 - H ARG 19 far 15 100 15 - 4.6-5.8 QD1 ILE 15 - H ARG 19 far 0 65 0 - 6.1-7.0 QD2 LEU 57 - H ARG 19 far 0 100 0 - 6.9-9.4 QD1 LEU 57 - H ARG 19 far 0 73 0 - 8.1-9.7 QD1 LEU 27 - H ARG 19 far 0 82 0 - 8.7-9.7 QG2 VAL 32 - H ARG 19 far 0 65 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8505 from nnoeabs.peaks (0.65, 8.90, 118.56 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + H ARG 19 OK 100 100 100 100 2.8-4.0 8693=60, 8685/3.0=54...(29) QD1 LEU 29 + H ARG 19 OK 99 100 100 100 2.5-3.7 8672/6283=55...(27) QD1 ILE 7 - H ARG 19 poor 19 82 30 76 4.0-5.2 8278/6283=25...(11) QD1 LEU 14 - H ARG 19 far 0 77 0 - 7.0-8.5 QD2 LEU 6 - H ARG 19 far 0 59 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 8506 from nnoeabs.peaks (1.45, 8.90, 118.56 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.96: QB ALA 22 + H ARG 19 OK 92 98 95 99 4.6-5.4 787/3.0=58...(14) HG2 LYS 20 + H ARG 19 OK 56 99 65 86 3.7-6.6 6309/6291=71...(8) HG LEU 29 - H ARG 19 far 10 98 10 - 5.2-6.4 HG12 ILE 7 - H ARG 19 far 0 87 0 - 7.1-8.4 HB2 LEU 27 - H ARG 19 far 0 99 0 - 8.8-9.7 HG2 LYS 12 - H ARG 19 far 0 100 0 - 8.8-10.7 Violated in 10 structures by 0.09 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 4.3-5.0 6283/6291=87, 8495=75...(16) Violated in 6 structures by 0.01 A. Peak 8527 from nnoeabs.peaks (0.77, 7.79, 118.64 ppm; 5.33 A): 2 out of 9 assignments used, quality = 0.96: QD1 ILE 93 + H LYS 20 OK 90 100 90 100 4.7-6.9 10020/8526=68...(8) QG2 ILE 15 + H LYS 20 OK 62 68 95 97 5.2-6.3 8516/4.1=49...(9) QG2 ILE 93 - H LYS 20 far 9 87 10 - 5.7-7.5 HG13 ILE 93 - H LYS 20 far 0 75 0 - 6.7-9.9 QG2 ILE 7 - H LYS 20 far 0 87 0 - 6.9-8.3 QD1 ILE 15 - H LYS 20 far 0 96 0 - 8.1-9.3 HG13 ILE 15 - H LYS 20 far 0 92 0 - 8.3-9.7 QD2 LEU 57 - H LYS 20 far 0 91 0 - 8.5-11.2 QD1 LEU 27 - H LYS 20 far 0 100 0 - 8.8-10.0 Violated in 3 structures by 0.02 A. Peak 8528 from nnoeabs.peaks (0.66, 7.79, 118.64 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 29 + H LYS 20 OK 100 100 100 100 4.4-5.4 8672/8495=53...(15) QD2 LEU 29 + H LYS 20 OK 97 98 100 100 4.5-5.6 8685/3.6=76...(18) QD1 ILE 7 - H LYS 20 far 0 68 0 - 6.2-7.5 QD1 LEU 14 - H LYS 20 far 0 90 0 - 8.5-10.4 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 4.4-5.8 9948/6333=90...(10) HA LEU 14 - H MET 21 far 0 96 0 - 8.7-9.3 Violated in 5 structures by 0.08 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 4.5-4.9 2.1/769=91, 8496=80...(14) Violated in 0 structures by 0.00 A. Peak 8561 from nnoeabs.peaks (1.31, 7.68, 118.10 ppm; 5.19 A): 1 out of 6 assignments used, quality = 0.25: HG2 LYS 90 + H MET 21 OK 25 84 35 87 4.7-7.9 4.0/8550=56...(7) QB ALA 89 - H MET 21 far 13 84 15 - 5.9-7.3 QB ALA 25 - H MET 21 far 4 84 5 - 6.0-6.8 HG2 LYS 94 - H MET 21 far 0 84 0 - 8.0-10.6 HG LEU 14 - H MET 21 far 0 63 0 - 8.8-10.3 HB3 LEU 27 - H MET 21 far 0 75 0 - 9.0-10.2 Violated in 17 structures by 1.44 A. Peak 8562 from nnoeabs.peaks (0.76, 7.68, 118.10 ppm; 4.17 A): 2 out of 9 assignments used, quality = 0.98: QD1 ILE 93 + H MET 21 OK 93 98 95 100 3.8-5.7 8480/769=57...(18) QG2 ILE 93 + H MET 21 OK 74 100 75 99 4.2-5.6 10319/6337=59...(13) HG13 ILE 93 - H MET 21 far 0 98 0 - 5.4-7.8 QG1 VAL 5 - H MET 21 far 0 77 0 - 6.8-7.6 QD1 LEU 27 - H MET 21 far 0 98 0 - 7.2-8.3 QD2 LEU 57 - H MET 21 far 0 59 0 - 8.2-10.0 QD2 LEU 27 - H MET 21 far 0 82 0 - 9.3-9.8 QD1 ILE 15 - H MET 21 far 0 100 0 - 9.4-10.4 HG13 ILE 15 - H MET 21 far 0 100 0 - 9.9-10.8 Violated in 5 structures by 0.04 A. Peak 8567 from nnoeabs.peaks (0.77, 8.81, 122.15 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: QD1 ILE 93 + H ALA 22 OK 99 100 100 99 3.0-4.4 10327/6353=47, 11004=44...(25) QG2 ILE 93 + H ALA 22 OK 87 88 100 98 2.2-3.5 11002=38, 3.1/11004=36...(21) HG13 ILE 93 - H ALA 22 far 8 77 10 - 3.7-6.8 QD1 LEU 27 - H ALA 22 far 0 100 0 - 4.9-6.1 QD2 LEU 57 - H ALA 22 far 0 90 0 - 6.8-8.9 QG2 ILE 15 - H ALA 22 far 0 65 0 - 7.3-8.5 QG2 ILE 7 - H ALA 22 far 0 85 0 - 7.7-8.5 QG1 VAL 54 - H ALA 22 far 0 98 0 - 9.7-10.6 QD1 ILE 15 - H ALA 22 far 0 97 0 - 9.9-10.8 HG13 ILE 15 - H ALA 22 far 0 93 0 - 9.9-11.1 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: QD1 LEU 29 + H ALA 22 OK 100 100 100 100 3.0-4.3 8690=61, 8672/8569=48...(21) QD2 LEU 29 + H ALA 22 OK 59 99 60 100 4.5-5.6 2.1/8690=55, 8685/786=49...(19) QD1 ILE 7 - H ALA 22 far 0 77 0 - 6.8-7.8 QD2 LEU 6 - H ALA 22 far 0 65 0 - 9.0-10.7 QD1 LEU 14 - H ALA 22 far 0 82 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 8569 from nnoeabs.peaks (1.21, 8.81, 122.15 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.94: QB ALA 18 + H ALA 22 OK 94 95 100 99 4.3-5.0 10020/11004=61...(10) Violated in 5 structures by 0.06 A. Peak 8570 from nnoeabs.peaks (1.36, 8.81, 122.15 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.89: QB ALA 25 + H ALA 22 OK 89 90 100 99 4.5-5.0 2.9/8604=54...(14) HB3 LEU 27 - H ALA 22 far 0 95 0 - 6.1-7.3 QB ALA 89 - H ALA 22 far 0 90 0 - 6.2-7.6 HG3 LYS 94 - H ALA 22 far 0 92 0 - 7.7-10.3 HG2 LYS 94 - H ALA 22 far 0 90 0 - 7.7-9.9 HG LEU 14 - H ALA 22 far 0 99 0 - 9.7-11.4 Violated in 19 structures by 0.22 A. Peak 8571 from nnoeabs.peaks (1.61, 8.81, 122.15 ppm; 4.93 A): 1 out of 7 assignments used, quality = 0.97: HB3 LEU 29 + H ALA 22 OK 97 97 100 100 4.3-5.5 3.1/8690=66...(18) HG2 ARG 19 - H ALA 22 far 9 85 10 - 5.6-7.2 HG2 LYS 24 - H ALA 22 far 0 87 0 - 6.2-7.8 HG LEU 27 - H ALA 22 far 0 98 0 - 6.3-7.1 HG3 LYS 90 - H ALA 22 far 0 84 0 - 6.7-9.0 HD3 LYS 94 - H ALA 22 far 0 98 0 - 8.0-10.2 HD2 LYS 94 - H ALA 22 far 0 97 0 - 8.3-11.1 Violated in 6 structures by 0.09 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 3.8-4.1 8606=94, 6411/6397=84...(12) 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 4.0-4.3 6408/6397=72, 8607=66...(12) QB ALA 89 + H GLU 88 OK 98 100 100 99 4.1-4.4 7407/7397=74, 9937=47...(17) HG LEU 14 - H GLU 88 far 0 96 0 - 5.7-7.3 HB3 LEU 27 - H LYS 24 far 0 99 0 - 7.7-8.6 HG2 LYS 94 - H LYS 24 far 0 100 0 - 8.3-10.8 QB ALA 89 - H LYS 24 far 0 100 0 - 9.2-10.8 HG2 LYS 94 - H GLU 88 far 0 100 0 - 9.3-12.7 Violated in 2 structures by 0.00 A. Peak 8593 from nnoeabs.peaks (0.76, 7.57, 119.96 ppm; 5.80 A): 3 out of 13 assignments used, quality = 1.00: QG2 ILE 93 + H LYS 24 OK 99 99 100 100 5.0-5.9 10319/8538=69...(8) QD1 LEU 27 + H LYS 24 OK 68 99 75 91 6.0-7.1 1223/8607=43...(5) QD1 ILE 93 + H LYS 24 OK 28 99 30 96 6.6-7.6 11004/6374=64...(4) QD1 ILE 93 - H GLU 88 far 0 98 0 - 6.8-7.9 QD2 LEU 27 - H LYS 24 far 0 79 0 - 7.1-7.7 HG13 ILE 93 - H LYS 24 far 0 96 0 - 7.6-10.2 QD2 LEU 57 - H GLU 88 far 0 63 0 - 8.1-9.0 HG13 ILE 93 - H GLU 88 far 0 96 0 - 8.1-11.1 QG1 VAL 5 - H LYS 24 far 0 73 0 - 8.4-9.5 HG3 ARG 81 - H GLU 88 far 0 92 0 - 8.8-12.3 QD1 ILE 15 - H GLU 88 far 0 100 0 - 9.4-11.7 QG1 VAL 5 - H GLU 88 far 0 72 0 - 9.4-10.6 QG2 ILE 93 - H GLU 88 far 0 99 0 - 9.5-10.2 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 2.8-2.9 3.0=100 HA LEU 14 - H GLU 88 far 0 94 0 - 6.7-8.1 HA LYS 90 - H GLU 88 far 0 100 0 - 6.7-7.3 HA LYS 90 - H LYS 24 far 0 100 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 8599 from nnoeabs.peaks (3.90, 7.57, 119.96 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.99: HB2 SER 85 + H GLU 88 OK 99 99 100 100 2.6-3.8 9845=66, 1.8/9847=58...(17) HA ALA 89 - H GLU 88 far 0 100 0 - 5.1-5.3 HA LYS 94 - H LYS 24 far 0 77 0 - 6.7-8.0 HA ARG 91 - H GLU 88 far 0 99 0 - 7.0-7.7 HA ARG 91 - H LYS 24 far 0 99 0 - 9.6-12.1 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 1 assignment used, quality = 0.98: HA SER 85 + H GLU 88 OK 98 98 100 100 4.7-5.1 3.0/8599=89, 3.0/9847=78...(16) Violated in 0 structures by 0.00 A. Peak 8602 from nnoeabs.peaks (0.69, 7.57, 119.96 ppm; 5.45 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 14 + H GLU 88 OK 98 98 100 100 4.4-5.9 8402/7397=82...(18) QD2 LEU 14 + H GLU 88 OK 56 90 65 96 5.8-7.3 8433/7397=49...(12) QD1 LEU 29 - H LYS 24 far 0 70 0 - 6.4-7.9 QG1 VAL 5 - H LYS 24 far 0 59 0 - 8.4-9.5 QG1 VAL 5 - H GLU 88 far 0 58 0 - 9.4-10.6 QD1 LEU 29 - H GLU 88 far 0 69 0 - 9.4-10.4 QG2 VAL 58 - H GLU 88 far 0 97 0 - 9.8-10.6 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 9 assignments used, quality = 0.89: HB2 GLU 88 + H GLU 88 OK 89 89 100 100 2.2-2.9 3.9=85, 1.8/3879=70...(17) HB2 LYS 90 - H GLU 88 far 0 92 0 - 5.6-7.5 HB3 LYS 90 - H GLU 88 far 0 100 0 - 5.8-7.5 HB ILE 93 - H LYS 24 far 0 81 0 - 6.5-7.9 HB2 LYS 90 - H LYS 24 far 0 93 0 - 8.0-10.4 HB3 LYS 90 - H LYS 24 far 0 100 0 - 8.0-10.3 HB3 LEU 57 - H GLU 88 far 0 99 0 - 8.9-10.1 HB ILE 93 - H GLU 88 far 0 80 0 - 9.0-10.0 HB VAL 5 - H LYS 24 far 0 77 0 - 9.4-10.2 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 4.7-5.0 3.0/6394=87, 8570/2.9=78...(14) 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 3.8-4.1 6397/6409=77, 8591=66...(12) Violated in 0 structures by 0.00 A. Peak 8608 from nnoeabs.peaks (3.84, 7.84, 115.27 ppm; 5.14 A): 1 out of 4 assignments used, quality = 0.98: HA ALA 22 + H ASN 26 OK 98 98 100 100 4.3-5.0 8638/6419=83...(12) HA LYS 94 - H ASN 26 far 0 84 0 - 7.3-8.4 HA SER 97 - H ASN 26 far 0 88 0 - 7.7-9.5 HA ARG 19 - H ASN 26 far 0 77 0 - 8.5-9.5 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 95 99 100 96 3.2-3.7 8637/6419=51...(8) HA LYS 24 + H ASN 26 OK 65 70 100 94 3.7-3.9 3.6/6409=57, 3.0/8606=48...(6) Violated in 0 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 99 100 100 99 3.2-4.0 8624/6408=69...(13) HB2 GLU 23 + H ALA 25 OK 56 99 60 95 4.8-5.5 3.0/6396=70, 4.6/6397=55...(9) HG2 GLU 28 - H ALA 25 far 0 71 0 - 8.8-11.7 HG3 GLU 28 - H ALA 25 far 0 71 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 8613 from nnoeabs.peaks (0.76, 7.71, 119.26 ppm; 4.19 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 93 + H ALA 25 OK 94 99 100 95 4.2-5.0 10320/6408=37...(13) QD1 LEU 27 + H ALA 25 OK 79 99 80 100 4.2-5.3 2.1/6401=70, ~8622=43...(16) QD2 LEU 27 - H ALA 25 far 0 77 0 - 5.2-5.8 QD1 ILE 93 - H ALA 25 far 0 99 0 - 6.5-7.4 HG13 ILE 93 - H ALA 25 far 0 96 0 - 7.3-9.6 QG1 VAL 5 - H ALA 25 far 0 71 0 - 7.7-9.0 QD2 LEU 57 - H ALA 25 far 0 65 0 - 9.9-11.6 Violated in 7 structures by 0.03 A. Peak 8616 from nnoeabs.peaks (0.76, 7.84, 115.27 ppm; 4.69 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 27 + H ASN 26 OK 94 99 95 100 4.5-5.7 2.1/8618=75, 4.7/6419=64...(13) QD2 LEU 27 + H ASN 26 OK 76 77 100 99 4.5-5.3 2.1/8618=75, 4.7/6419=64...(10) QG2 ILE 93 - H ASN 26 far 5 99 5 - 5.5-6.4 QD1 ILE 93 - H ASN 26 far 0 99 0 - 7.9-8.9 QG1 VAL 5 - H ASN 26 far 0 71 0 - 8.7-10.1 HG13 ILE 93 - H ASN 26 far 0 96 0 - 8.9-11.4 Violated in 1 structures by 0.00 A. Peak 8617 from nnoeabs.peaks (1.46, 7.84, 115.27 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 27 + H ASN 26 OK 99 100 100 99 4.7-5.1 1188/6419=75...(8) QB ALA 22 + H ASN 26 OK 84 87 100 97 4.8-5.3 2.1/8608=62...(11) HG2 LYS 20 - H ASN 26 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 8618 from nnoeabs.peaks (1.60, 7.84, 115.27 ppm; 4.70 A): 1 out of 6 assignments used, quality = 1.00: HG LEU 27 + H ASN 26 OK 100 100 100 100 3.8-4.4 6442/6419=86...(11) HG2 LYS 24 - H ASN 26 far 5 96 5 - 5.1-7.0 HB3 LEU 29 - H ASN 26 far 0 100 0 - 8.0-9.3 HB3 GLU 28 - H ASN 26 far 0 61 0 - 8.7-9.5 HG2 ARG 19 - H ASN 26 far 0 96 0 - 9.0-12.6 HD3 LYS 94 - H ASN 26 far 0 100 0 - 9.6-13.1 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 96 100 100 97 4.9-5.6 4.4/6409=71, 4.0/8606=61...(5) HB2 LYS 24 + H ASN 26 OK 96 100 100 97 5.0-5.6 4.4/6409=71, 4.0/8606=61...(5) HB3 LYS 20 - H ASN 26 far 0 68 0 - 9.4-10.1 Violated in 0 structures by 0.00 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 5.1-6.0 8624/6413=79...(6) HB2 GLU 23 + H ASN 26 OK 95 100 100 95 4.9-5.4 4.6/8606=67, 3.0/8609=56...(6) HB2 MET 21 - H ASN 26 far 0 65 0 - 6.9-8.8 HG2 GLU 28 - H ASN 26 far 0 88 0 - 7.8-10.9 HG3 GLU 28 - H ASN 26 far 0 88 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 8632 from nnoeabs.peaks (1.34, 7.47, 112.34 ppm; 5.92 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 25 + HD22 ASN 26 OK 99 100 100 99 4.3-6.0 8628/3.5=74, 8627/4.4=73...(4) HB3 LEU 27 - HD22 ASN 26 far 5 100 5 - 6.2-8.6 HB3 LEU 2 - HD22 ASN 26 far 0 99 0 - 7.6-11.8 HG3 LYS 94 - HD22 ASN 26 far 0 59 0 - 9.3-14.9 Violated in 9 structures by 0.04 A. Peak 8637 from nnoeabs.peaks (4.14, 8.24, 116.83 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.92: HA GLU 23 + H LEU 27 OK 92 100 100 92 2.9-3.9 10478/6434=48...(7) Violated in 1 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 3.4-4.3 8636/1188=44...(15) HA ARG 19 - H LEU 27 far 0 92 0 - 7.0-8.1 HA SER 97 - H LEU 27 far 0 98 0 - 7.1-8.9 HA LYS 94 - H LEU 27 far 0 65 0 - 7.6-9.1 Violated in 6 structures by 0.05 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 4.7-5.8 5.7/8655=54, ~14579=39...(11) QD TYR 4 + H GLU 28 OK 93 93 100 100 3.2-4.9 3.7/8655=78, 4.8/8163=57...(14) 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 1 assignment used, quality = 1.00: H VAL 5 + H GLU 28 OK 100 100 100 100 4.2-5.4 8163=98, 3.6/8655=76...(9) Violated in 5 structures by 0.03 A. Peak 8655 from nnoeabs.peaks (5.16, 7.80, 121.34 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.93: HA TYR 4 + H GLU 28 OK 93 94 100 99 2.7-3.7 8123=51, 8656/1235=50...(14) HA LEU 3 - H GLU 28 far 0 71 0 - 5.5-6.3 HA VAL 54 - H GLU 28 far 0 100 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 8663 from nnoeabs.peaks (0.77, 8.45, 126.55 ppm; 5.39 A): 3 out of 10 assignments used, quality = 0.85: QG1 VAL 5 + H LEU 29 OK 56 59 95 100 5.3-6.6 ~8173=65, 8667/2.9=65...(13) QD1 LEU 27 + H LEU 29 OK 44 100 50 88 5.5-6.9 1227/4.5=65...(5) QG2 ILE 93 + H LEU 29 OK 37 96 60 64 5.4-6.6 10326/8586=35...(5) QD2 LEU 27 - H LEU 29 poor 15 65 45 51 5.9-7.3 1219/4.5=39...(3) QD1 ILE 93 - H LEU 29 far 10 100 10 - 6.3-7.5 HG13 ILE 93 - H LEU 29 far 0 90 0 - 6.9-10.0 QG1 VAL 54 - H LEU 29 far 0 100 0 - 7.1-8.0 QG2 ILE 7 - H LEU 29 far 0 71 0 - 7.4-8.1 QD2 LEU 57 - H LEU 29 far 0 77 0 - 7.9-9.9 QD1 LEU 6 - H LEU 29 far 0 100 0 - 8.0-8.8 Violated in 2 structures by 0.00 A. Peak 8664 from nnoeabs.peaks (1.87, 8.45, 126.55 ppm; 5.66 A): 2 out of 2 assignments used, quality = 0.99: HB VAL 5 + H LEU 29 OK 99 99 100 100 4.1-5.8 8173/2.9=94...(18) HB2 ARG 19 + H LEU 29 OK 43 92 50 93 4.5-7.3 8674/4.8=52...(8) 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 = 0.92: HG2 ARG 30 + H LEU 29 OK 92 100 100 92 4.5-6.2 6485/4.6=77...(5) HB3 LEU 2 - H LEU 29 far 0 63 0 - 9.3-11.4 HG LEU 3 - H LEU 29 far 0 100 0 - 10.0-11.3 Violated in 7 structures by 0.02 A. Peak 8695 from nnoeabs.peaks (8.91, 8.45, 126.55 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: H VAL 5 + H LEU 29 OK 100 100 100 100 4.6-5.1 8172/2.9=97, 8160=96...(15) H ARG 19 - H LEU 29 far 0 97 0 - 7.4-8.3 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 = 0.99: HA LEU 6 + H ARG 30 OK 99 100 100 99 2.5-3.2 8200=72, 6072/8238=48...(15) Violated in 0 structures by 0.00 A. Peak 8713 from nnoeabs.peaks (0.76, 9.09, 125.04 ppm; 4.14 A): 2 out of 16 assignments used, quality = 0.81: QG1 VAL 5 + H ARG 30 OK 66 68 100 99 3.3-4.8 2.1/8715=67, 2.1/8714=52...(10) QG2 ILE 7 + H ARG 30 OK 44 63 80 87 4.6-5.2 6077/8238=53...(11) QD1 LEU 6 - H ARG 30 far 15 99 15 - 4.8-5.6 QG1 VAL 54 - H ARG 30 far 5 100 5 - 5.0-5.8 QD2 LEU 57 - H ARG 30 far 0 70 0 - 5.6-7.5 QD1 ILE 93 - H ARG 30 far 0 99 0 - 5.8-7.3 QG2 ILE 93 - H ARG 30 far 0 99 0 - 6.5-7.6 HG13 ILE 93 - H ARG 30 far 0 94 0 - 6.5-9.3 QD1 LEU 27 - H ARG 30 far 0 100 0 - 7.4-8.2 HG13 ILE 15 - H ARG 30 far 0 100 0 - 7.5-9.6 QG1 VAL 78 - H ARG 30 far 0 96 0 - 8.1-10.7 QD1 ILE 15 - H ARG 30 far 0 100 0 - 8.2-8.8 QD2 LEU 27 - H ARG 30 far 0 73 0 - 8.2-9.2 QD2 LEU 42 - H ARG 30 far 0 100 0 - 8.3-9.8 QG2 ILE 8 - H ARG 30 far 0 85 0 - 9.4-9.9 QG2 ILE 52 - H ARG 30 far 0 95 0 - 9.9-12.3 Violated in 3 structures by 0.02 A. Peak 8714 from nnoeabs.peaks (0.94, 9.09, 125.04 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 5 + H ARG 30 OK 100 100 100 100 4.7-5.6 2.1/8715=89...(6) HG LEU 55 - H ARG 30 far 0 92 0 - 7.6-9.4 QG1 VAL 32 - H ARG 30 far 0 61 0 - 7.8-8.3 Violated in 10 structures by 0.15 A. Peak 8715 from nnoeabs.peaks (1.87, 9.09, 125.04 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.99: HB VAL 5 + H ARG 30 OK 99 99 100 100 3.2-4.7 8173/6476=70, 8165=66...(13) HB2 ARG 19 - H ARG 30 far 0 88 0 - 6.2-8.4 HB VAL 54 - H ARG 30 far 0 96 0 - 8.4-9.4 HG LEU 42 - H ARG 30 far 0 82 0 - 9.2-10.7 Violated in 3 structures by 0.03 A. Peak 8736 from nnoeabs.peaks (0.81, 8.50, 114.75 ppm; 4.37 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 7 + H THR 31 OK 98 99 100 99 4.4-4.7 8282/6501=76...(9) QG2 VAL 32 + H THR 31 OK 76 87 100 87 4.0-4.5 10165/3.0=53...(6) QG2 ILE 15 + H THR 31 OK 31 100 35 90 5.0-5.5 10123/6501=81...(4) QD1 LEU 6 - H THR 31 far 0 63 0 - 5.5-6.6 QD2 LEU 38 - H THR 31 far 0 96 0 - 6.4-9.7 QG2 ILE 8 - H THR 31 far 0 91 0 - 8.0-8.7 QD2 LEU 57 - H THR 31 far 0 98 0 - 8.1-9.9 QD1 ILE 93 - H THR 31 far 0 61 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 8737 from nnoeabs.peaks (0.68, 8.50, 114.75 ppm; 4.07 A): 2 out of 9 assignments used, quality = 0.98: QD2 LEU 6 + H THR 31 OK 95 99 100 96 3.4-4.5 8717/6493=51...(12) QD2 LEU 29 + H THR 31 OK 67 71 100 94 4.0-4.5 12050=58, 4.6/6491=36...(11) QD1 LEU 29 - H THR 31 far 0 90 0 - 6.1-6.8 QD1 ILE 8 - H THR 31 far 0 70 0 - 7.2-8.4 QD1 ILE 56 - H THR 31 far 0 73 0 - 7.4-11.2 HG13 ILE 56 - H THR 31 far 0 59 0 - 8.7-11.7 QD2 LEU 14 - H THR 31 far 0 71 0 - 8.9-9.7 QG2 VAL 54 - H THR 31 far 0 91 0 - 9.0-10.3 QD1 LEU 42 - H THR 31 far 0 98 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 8740 from nnoeabs.peaks (6.87, 8.50, 114.75 ppm; 5.86 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 41 + H THR 31 OK 95 97 100 98 3.4-4.7 8906/6493=66...(8) 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 4.3-5.7 8896/6515=86...(12) QD TYR 41 + H LYS 33 OK 66 75 90 97 5.5-6.9 14619/6517=47, ~14608=45...(11) 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 4.4-4.9 8804=92, 8770/6530=90...(13) HE ARG 30 - H LYS 33 far 0 73 0 - 7.9-12.6 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 3.6-4.1 8768=97, 6542/6530=82...(15) QG2 THR 31 - H LYS 33 far 0 87 0 - 6.0-6.5 HB2 LEU 6 - H LYS 33 far 0 96 0 - 7.0-9.3 HG2 LYS 40 - H LYS 33 far 0 100 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 8747 from nnoeabs.peaks (2.11, 9.30, 123.65 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 37 + H LYS 33 OK 100 100 100 100 2.7-3.9 8816=54, 8814/6530=52...(15) HB3 GLU 37 + H LYS 33 OK 95 95 100 100 3.2-4.2 1.8/8819=56...(13) HB3 LEU 38 - H LYS 33 far 0 65 0 - 5.7-8.2 HB3 GLU 35 - H LYS 33 far 0 81 0 - 8.2-9.0 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 2 assignments used, quality = 0.99: HG2 GLU 37 + H LYS 33 OK 99 99 100 100 1.9-4.4 8817=97, 8754/6530=83...(13) HG2 GLU 63 - H LYS 33 far 0 81 0 - 8.5-12.4 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 2.1-3.1 8938=72, 6517/6530=45...(18) HG13 ILE 8 - H THR 34 far 0 90 0 - 4.7-8.3 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 = 0.98: QG2 VAL 32 + H THR 34 OK 97 97 100 100 4.3-5.1 2.1/8749=93, 3.2/8764=69...(9) QG2 ILE 8 + H THR 34 OK 28 75 60 62 4.5-5.5 3.0/8751=48, 302/8749=18...(4) QD2 LEU 38 + H THR 34 OK 23 100 25 90 4.3-6.0 8837/8752=48...(10) QD1 LEU 70 - H THR 34 far 0 100 0 - 6.3-8.9 QD2 LEU 70 - H THR 34 far 0 99 0 - 7.5-10.2 QG2 ILE 7 - H THR 34 far 0 93 0 - 7.8-8.5 QG2 ILE 15 - H THR 34 far 0 99 0 - 9.4-10.3 Violated in 4 structures by 0.01 A. Peak 8751 from nnoeabs.peaks (0.73, 7.25, 106.30 ppm; 5.12 A): 1 out of 7 assignments used, quality = 0.22: QD1 ILE 8 + H THR 34 OK 22 95 35 66 4.9-6.8 326/8749=31...(5) QD2 LEU 6 - H THR 34 far 0 57 0 - 6.5-9.0 QG1 VAL 58 - H THR 34 far 0 100 0 - 7.6-8.9 QD1 ILE 15 - H THR 34 far 0 71 0 - 8.0-9.1 QD1 ILE 56 - H THR 34 far 0 93 0 - 8.4-10.8 QD1 LEU 42 - H THR 34 far 0 61 0 - 8.4-9.5 HG13 ILE 56 - H THR 34 far 0 98 0 - 9.9-12.9 Violated in 17 structures by 0.91 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 2.7-3.5 8808=60, 1.8/8810=56...(11) HB2 GLU 35 - H THR 34 far 0 91 0 - 6.3-7.1 QE MET 74 - H THR 34 far 0 96 0 - 10.0-11.3 Violated in 1 structures by 0.00 A. Peak 8753 from nnoeabs.peaks (2.13, 7.25, 106.30 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.94: HG3 GLU 37 + H THR 34 OK 85 85 100 99 1.9-3.1 3.0/8752=54, 1.8/8754=52...(12) HB3 GLU 37 + H THR 34 OK 59 99 60 100 3.9-4.8 1.8/8752=73, 8810=64...(13) 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 2 assignments used, quality = 0.99: HG2 GLU 37 + H THR 34 OK 99 99 100 100 1.9-4.2 3.0/8752=74, 1.8/8814=69...(13) HG2 GLU 63 - H THR 34 far 0 81 0 - 8.5-11.7 Violated in 1 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 5.0-5.7 8806=97, 3.0/8752=96...(9) Violated in 4 structures by 0.04 A. Peak 8763 from nnoeabs.peaks (3.91, 7.25, 106.30 ppm; 5.40 A): 1 out of 3 assignments used, quality = 0.90: HA GLU 35 + H THR 34 OK 90 91 100 99 5.0-5.4 12057/8858=64, ~6546=61...(8) HA LEU 38 - H THR 34 far 3 70 5 - 6.2-7.3 HA GLU 63 - H THR 34 far 0 100 0 - 8.2-11.1 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 99 3.7-4.2 1394/6530=67...(10) HA SER 9 - H THR 34 far 0 100 0 - 8.9-9.9 Violated in 20 structures by 0.19 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 4.0-5.0 8858=96, 8932/8749=85...(15) Violated in 3 structures by 0.02 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 3.2-3.8 8805=99, 6572/8752=68...(16) 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 4.0-4.6 8803=94, 6567/6556=89...(12) 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 4.2-4.6 8941=69, 6579/6565=68...(17) Violated in 9 structures by 0.04 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 4.3-4.8 4.0/8794=80...(8) Violated in 0 structures by 0.00 A. Peak 8775 from nnoeabs.peaks (0.83, 9.17, 121.92 ppm; 5.48 A): 4 out of 5 assignments used, quality = 0.99: QD2 LEU 38 + H GLU 35 OK 92 98 95 99 4.0-6.5 4.5/10554=52, ~10168=39...(26) QD1 LEU 70 + H GLU 35 OK 84 92 95 96 4.1-6.6 9549/6550=33...(14) QD2 LEU 70 + H GLU 35 OK 30 81 40 92 5.1-7.7 9541/3.0=29, ~10609=25...(13) QD1 LEU 38 + H GLU 35 OK 30 85 35 99 4.2-7.4 4.5/10554=52...(24) QG2 VAL 32 - H GLU 35 far 0 100 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 8776 from nnoeabs.peaks (1.49, 9.17, 121.92 ppm; 5.93 A): 3 out of 7 assignments used, quality = 0.94: HG LEU 38 + H GLU 35 OK 66 79 85 99 4.7-7.0 5.3/10554=53, ~10168=44...(22) HG3 LYS 66 + H GLU 35 OK 58 100 70 83 4.3-9.0 10434/6550=46...(7) HB2 LEU 38 + H GLU 35 OK 57 71 80 100 4.8-8.0 3.8/10554=66...(27) HG2 LYS 66 - H GLU 35 far 10 100 10 - 6.0-10.6 HG3 LYS 33 - H GLU 35 far 0 96 0 - 8.4-8.7 HD3 LYS 40 - H GLU 35 far 0 88 0 - 8.5-11.2 HD2 LYS 40 - H GLU 35 far 0 87 0 - 9.7-11.9 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 4.4-6.2 3.6/6556=95, 4.0/8803=71...(10) HB2 ASP 36 + H GLU 35 OK 93 93 100 100 4.6-5.4 3.6/6556=95, 4.0/8803=71...(11) HG3 GLU 63 - H GLU 35 far 0 99 0 - 7.5-10.0 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 4 assignments used, quality = 0.00: HB3 LYS 39 - H ASP 36 far 5 98 5 - 5.5-7.2 HB3 LYS 66 - H ASP 36 far 0 98 0 - 7.3-10.7 HG LEU 42 - H ASP 36 far 0 90 0 - 9.7-10.2 HB ILE 8 - H ASP 36 far 0 91 0 - 9.8-11.5 Violated in 20 structures by 1.33 A. Peak 8779 from nnoeabs.peaks (1.80, 8.19, 118.33 ppm; 5.52 A): 1 out of 3 assignments used, quality = 1.00: HB2 LYS 39 + H ASP 36 OK 100 100 100 100 4.9-5.6 10537/3.0=96...(19) HB2 LYS 66 - H ASP 36 far 3 61 5 - 6.4-9.8 HB2 LEU 42 - H ASP 36 far 0 100 0 - 9.5-10.1 Violated in 1 structures by 0.00 A. Peak 8780 from nnoeabs.peaks (1.67, 8.19, 118.33 ppm; 5.21 A): 0 out of 8 assignments used, quality = 0.00: HD2 LYS 39 - H ASP 36 far 10 98 10 - 5.9-9.0 HD3 LYS 39 - H ASP 36 far 4 85 5 - 6.0-8.7 HG LEU 70 - H ASP 36 far 0 73 0 - 6.2-9.7 HB2 LYS 40 - H ASP 36 far 0 92 0 - 6.3-7.1 HB3 LYS 40 - H ASP 36 far 0 95 0 - 6.5-7.9 HD3 LYS 66 - H ASP 36 far 0 68 0 - 7.2-12.1 HD3 LYS 73 - H ASP 36 far 0 100 0 - 8.9-15.4 HD2 LYS 73 - H ASP 36 far 0 100 0 - 10.0-16.1 Violated in 18 structures by 0.22 A. Peak 8781 from nnoeabs.peaks (1.47, 8.19, 118.33 ppm; 5.07 A): 2 out of 8 assignments used, quality = 0.79: HB2 LEU 38 + H ASP 36 OK 67 98 70 98 5.0-7.6 3.8/8772=68...(13) HG LEU 38 + H ASP 36 OK 35 99 40 88 4.2-7.5 5.3/8772=51...(10) HG3 LYS 39 - H ASP 36 far 4 84 5 - 5.7-8.1 HD3 LYS 40 - H ASP 36 far 0 100 0 - 6.2-9.2 HG3 LYS 66 - H ASP 36 far 0 84 0 - 6.4-10.9 HD2 LYS 40 - H ASP 36 far 0 100 0 - 7.5-9.6 HG2 LYS 66 - H ASP 36 far 0 87 0 - 8.0-12.4 HG3 LYS 33 - H ASP 36 far 0 63 0 - 8.6-9.2 Violated in 11 structures by 0.15 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 4.0-4.3 2.1/8794=87, 8767=76...(9) HG2 LYS 40 - H ASP 36 far 0 85 0 - 8.8-9.8 Violated in 19 structures by 0.11 A. Peak 8794 from nnoeabs.peaks (4.61, 8.19, 118.33 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.95: HB THR 34 + H ASP 36 OK 95 98 100 97 2.9-3.5 10524=71, 2.1/8782=47...(8) HA ILE 8 - H ASP 36 far 0 100 0 - 9.8-11.1 Violated in 3 structures by 0.01 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 5.0-5.4 3.0/6565=99, 3.6/8772=80...(7) Violated in 0 structures by 0.00 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 4.0-4.6 6556/6565=91, 8771=76...(12) H GLU 35 - H LEU 64 far 0 43 0 - 9.7-12.6 H ILE 56 - H LEU 64 far 0 38 0 - 9.9-10.5 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 4.4-4.9 6530/8805=82...(13) 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 1 assignment used, quality = 0.99: H THR 34 + H GLU 37 OK 99 99 100 100 3.2-3.8 8770=94, 8752/6572=65...(16) 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 5.3-6.6 8813/6574=87...(18) QD TYR 41 + H GLU 37 OK 88 88 100 99 5.4-6.4 14619/8831=59...(19) HD21 ASN 60 + H LEU 64 OK 20 34 60 99 5.0-8.2 9427/4.6=60, 9464/4.6=55...(9) 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 10 assignments used, quality = 1.00: HA GLU 35 + H GLU 37 OK 99 100 100 99 3.8-4.4 3.6/6565=74...(14) HA LEU 38 + H GLU 37 OK 51 95 55 98 5.1-5.4 2.9/6576=83, 3.6/6577=52...(10) 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 - 6.7-7.1 HA ALA 67 - H LEU 64 far 0 21 0 - 7.0-7.3 HA TYR 41 - H GLU 37 far 0 65 0 - 8.4-9.3 HA ALA 67 - H GLU 37 far 0 63 0 - 8.4-10.2 HA GLU 35 - H LEU 64 far 0 42 0 - 8.5-11.0 HA GLU 63 - H GLU 37 far 0 88 0 - 9.3-11.9 HB3 SER 9 - H LEU 64 far 0 23 0 - 9.4-11.9 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 99 4.2-4.9 8794/6565=76...(8) HA ILE 8 - H LEU 64 far 0 42 0 - 8.6-10.1 HA ILE 8 - H GLU 37 far 0 100 0 - 8.6-9.6 HA THR 84 - H LEU 64 far 0 22 0 - 9.8-10.9 Violated in 16 structures by 0.30 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 5.1-5.6 3.2/8831=83...(11) HA SER 9 - H LEU 64 far 0 36 0 - 8.8-9.9 Violated in 9 structures by 0.05 A. Peak 8828 from nnoeabs.peaks (1.68, 7.74, 120.70 ppm; 5.31 A): 2 out of 15 assignments used, quality = 1.00: HB3 LYS 40 + H GLU 37 OK 100 100 100 100 4.9-6.0 1794/3.0=94, ~1782=70...(18) HB2 LYS 40 + H GLU 37 OK 73 73 100 100 4.3-5.4 ~1794=71, 8846/1608=66...(20) HG2 LYS 68 - H LEU 64 poor 9 22 40 - 5.9-7.9 HD3 LYS 66 - H LEU 64 poor 7 33 20 - 5.5-8.5 HD3 LYS 68 - H LEU 64 far 3 30 10 - 5.4-9.1 HD2 LYS 68 - H LEU 64 far 0 30 0 - 6.4-9.5 HD3 LYS 39 - H GLU 37 far 0 63 0 - 6.7-9.2 HD2 LYS 39 - H GLU 37 far 0 87 0 - 6.7-9.3 HG LEU 70 - H GLU 37 far 0 92 0 - 7.3-10.4 HB3 LEU 70 - H GLU 37 far 0 63 0 - 8.0-9.9 HB3 LEU 6 - H GLU 37 far 0 77 0 - 8.3-10.8 HB3 LEU 70 - H LEU 64 far 0 21 0 - 9.1-11.9 HD3 LYS 66 - H GLU 37 far 0 88 0 - 9.2-13.3 HG LEU 70 - H LEU 64 far 0 35 0 - 9.4-10.4 HD3 LYS 73 - H GLU 37 far 0 98 0 - 10.0-16.4 Violated in 0 structures by 0.00 A. Peak 8829 from nnoeabs.peaks (1.47, 7.74, 120.70 ppm; 4.33 A): 4 out of 14 assignments used, quality = 0.89: HB2 LEU 38 + H GLU 37 OK 56 97 60 97 4.3-6.4 3.8/6576=68...(15) HG LEU 64 + H LEU 64 OK 40 40 100 100 4.0-4.3 4.8=72, 2827/3.0=71...(15) HG LEU 38 + H GLU 37 OK 36 99 40 92 3.6-7.1 5.3/6576=45...(16) HB3 LEU 64 + H LEU 64 OK 34 34 100 100 2.8-3.2 3.9=100 HD2 LYS 82 - H LEU 64 poor 8 41 20 - 4.6-5.9 HD3 LYS 40 - H GLU 37 far 5 100 5 - 4.9-7.5 HD2 LYS 40 - H GLU 37 far 0 100 0 - 5.3-7.9 HG2 LYS 66 - H LEU 64 far 0 34 0 - 5.3-8.0 HG3 LYS 39 - H GLU 37 far 0 81 0 - 6.2-8.3 HG3 LYS 66 - H LEU 64 far 0 32 0 - 6.4-8.1 HG3 LYS 33 - H GLU 37 far 0 68 0 - 6.7-7.7 HG LEU 38 - H LEU 64 far 0 41 0 - 7.7-11.7 HG3 LYS 66 - H GLU 37 far 0 87 0 - 8.6-12.2 HB2 LEU 38 - H LEU 64 far 0 39 0 - 9.4-10.9 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 4.2-4.5 2.1/8822=79, 8766=78...(13) HG2 LYS 40 - H GLU 37 far 0 91 0 - 7.0-7.6 HB2 LEU 6 - H GLU 37 far 0 100 0 - 8.4-10.0 HB2 LEU 57 - H LEU 64 far 0 37 0 - 9.2-9.9 QG2 THR 31 - H GLU 37 far 0 61 0 - 9.5-9.9 Violated in 1 structures by 0.00 A. Peak 8831 from nnoeabs.peaks (0.91, 7.74, 120.70 ppm; 4.29 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 32 + H GLU 37 OK 100 100 100 100 3.3-3.9 8932/6576=76, 8936=67...(17) HG13 ILE 8 - H GLU 37 far 0 91 0 - 6.8-9.1 HG13 ILE 8 - H LEU 64 far 0 34 0 - 6.9-8.8 QG1 VAL 32 - H LEU 64 far 0 43 0 - 7.8-9.6 HB2 ARG 81 - H LEU 64 far 0 31 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 8832 from nnoeabs.peaks (0.85, 7.74, 120.70 ppm; 4.72 A): 4 out of 11 assignments used, quality = 0.99: QG2 VAL 32 + H GLU 37 OK 95 96 100 100 4.2-5.0 2.1/8936=68, 3.2/8825=54...(16) QD2 LEU 38 + H GLU 37 OK 74 85 90 96 4.1-5.7 4.5/6576=66...(16) QD2 LEU 64 + H LEU 64 OK 38 38 100 100 4.0-4.1 4.5=100 QD1 LEU 38 + H GLU 37 OK 28 98 30 94 4.6-6.5 4.5/6576=66...(9) QD1 LEU 70 - H GLU 37 poor 18 73 25 - 5.1-6.8 QD2 LEU 70 - H GLU 37 far 0 57 0 - 5.7-8.3 QD2 LEU 38 - H LEU 64 far 0 31 0 - 6.3-7.9 QD1 LEU 38 - H LEU 64 far 0 39 0 - 6.8-8.9 QD1 LEU 70 - H LEU 64 far 0 25 0 - 7.4-10.6 QD1 LEU 57 - H LEU 64 far 0 35 0 - 8.2-8.8 QG2 VAL 32 - H LEU 64 far 0 38 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 8851 from nnoeabs.peaks (0.71, 7.53, 119.20 ppm; 4.61 A): 3 out of 10 assignments used, quality = 0.96: QD1 ILE 8 + H LEU 38 OK 84 100 90 93 4.2-5.5 8855/2.9=49...(11) QD1 LEU 42 + H LEU 38 OK 60 84 75 95 5.0-5.7 8947/6591=51...(12) QD2 LEU 6 + H LEU 38 OK 36 81 70 63 4.7-7.2 8942/8932=19...(9) QD1 ILE 56 - H LEU 38 far 0 100 0 - 5.9-7.8 QG1 VAL 58 - H LEU 38 far 0 100 0 - 7.0-8.1 HG13 ILE 56 - H LEU 38 far 0 100 0 - 7.0-10.0 QG1 VAL 78 - H LEU 38 far 0 75 0 - 8.4-9.8 QG2 VAL 78 - H LEU 38 far 0 100 0 - 8.5-9.7 QG2 VAL 58 - H LEU 38 far 0 59 0 - 9.3-10.6 QG1 VAL 5 - H LEU 38 far 0 98 0 - 10.0-11.2 Violated in 2 structures by 0.01 A. Peak 8852 from nnoeabs.peaks (1.67, 7.53, 119.20 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.81: HB2 LYS 40 + H LEU 38 OK 73 82 90 98 4.5-6.1 4.1/6616=63, 1782/3.6=56...(10) HB3 LYS 40 + H LEU 38 OK 29 99 30 98 5.1-6.4 1794/3.6=74...(7) HB3 LEU 6 - H LEU 38 far 0 85 0 - 5.9-8.4 HG LEU 70 - H LEU 38 far 0 85 0 - 6.1-9.0 HD3 LYS 39 - H LEU 38 far 0 73 0 - 6.8-8.7 HD2 LYS 39 - H LEU 38 far 0 93 0 - 6.9-8.5 HD3 LYS 66 - H LEU 38 far 0 81 0 - 8.6-12.4 HD3 LYS 73 - H LEU 38 far 0 99 0 - 8.9-15.5 Violated in 4 structures by 0.03 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 4.7-4.9 4.0/6591=74...(15) HB2 LEU 42 - H LEU 38 far 0 97 0 - 6.8-7.5 Violated in 7 structures by 0.01 A. Peak 8854 from nnoeabs.peaks (2.52, 7.53, 119.20 ppm; 5.24 A): 2 out of 4 assignments used, quality = 0.98: HB3 ASP 36 + H LEU 38 OK 92 97 95 100 5.0-6.5 4.0/6576=85...(10) HB2 ASP 36 + H LEU 38 OK 72 96 75 100 4.9-6.5 4.0/6576=85...(11) HG2 MET 74 - H LEU 38 far 0 100 0 - 8.9-11.1 HG3 GLU 63 - H LEU 38 far 0 100 0 - 10.0-11.6 Violated in 4 structures by 0.02 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 4.0-5.0 8769=83, 8749/8932=80...(15) Violated in 5 structures by 0.06 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 4.3-6.1 8909/8932=77...(20) QD TYR 41 + H LEU 38 OK 97 97 100 100 3.9-5.0 14602/2.9=81...(29) 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 = 0.86: QG2 VAL 32 + H LYS 40 OK 54 100 85 63 4.9-5.8 6589/6616=27...(6) QD1 LEU 38 + H LYS 40 OK 52 70 85 87 4.2-6.0 4.5/6616=55...(9) QD1 LEU 70 + H LYS 40 OK 37 99 45 82 4.9-6.5 8952/3.6=34...(12) QD2 LEU 70 - H LYS 40 far 5 93 5 - 5.2-7.8 QD2 LEU 38 - H LYS 40 far 0 100 0 - 5.6-6.0 QD1 ILE 76 - H LYS 40 far 0 84 0 - 6.9-8.0 QG2 ILE 8 - H LYS 40 far 0 57 0 - 9.1-10.2 Violated in 2 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 3.6-4.5 10540=98, 10537/6620=69...(7) Violated in 1 structures by 0.00 A. Peak 8868 from nnoeabs.peaks (0.87, 7.82, 117.81 ppm; 4.90 A): 2 out of 4 assignments used, quality = 0.94: QD1 LEU 38 + H TYR 41 OK 87 97 90 100 4.6-6.7 8912/6659=69...(14) QG1 VAL 32 + H TYR 41 OK 49 71 75 92 5.3-6.2 8932/8884=36...(10) QG2 ILE 76 - H TYR 41 far 0 99 0 - 7.7-8.8 HG13 ILE 8 - H TYR 41 far 0 98 0 - 9.0-10.2 Violated in 5 structures by 0.09 A. Peak 8869 from nnoeabs.peaks (0.79, 7.82, 117.81 ppm; 4.35 A): 1 out of 10 assignments used, quality = 0.92: QD1 LEU 6 + H TYR 41 OK 92 95 100 97 3.7-4.7 8871/3.0=57...(11) QD2 LEU 38 - H TYR 41 poor 19 68 30 92 5.1-6.8 3.8/1623=48, 2.1/8868=39...(12) QD2 LEU 42 - H TYR 41 far 0 91 0 - 5.6-5.9 QG1 VAL 54 - H TYR 41 far 0 84 0 - 6.1-7.2 QD1 LEU 70 - H TYR 41 far 0 81 0 - 6.2-8.0 QD1 ILE 76 - H TYR 41 far 0 98 0 - 6.5-7.2 QD2 LEU 70 - H TYR 41 far 0 92 0 - 7.0-9.2 QG2 ILE 52 - H TYR 41 far 0 99 0 - 9.1-11.6 QG2 ILE 8 - H TYR 41 far 0 100 0 - 9.4-10.2 QG2 ILE 7 - H TYR 41 far 0 99 0 - 9.8-10.4 Violated in 6 structures by 0.06 A. Peak 8870 from nnoeabs.peaks (0.70, 7.82, 117.81 ppm; 4.64 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 42 + H TYR 41 OK 98 98 100 100 4.6-5.2 2.1/8882=79...(14) QD2 LEU 6 + H TYR 41 OK 96 97 100 99 4.1-5.3 2.1/8869=67, 8872/3.0=56...(13) QD1 ILE 56 - H TYR 41 far 0 100 0 - 6.1-8.5 QD1 ILE 8 - H TYR 41 far 0 99 0 - 7.6-8.2 HG13 ILE 56 - H TYR 41 far 0 97 0 - 7.7-10.2 QG2 VAL 78 - H TYR 41 far 0 91 0 - 7.9-9.1 QD1 ILE 52 - H TYR 41 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 8880 from nnoeabs.peaks (2.10, 7.82, 117.81 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.88: HB3 GLU 37 + H TYR 41 OK 82 91 100 91 4.6-5.4 4.6/8884=46, 3.0/6640=40...(11) HG2 GLU 44 + H TYR 41 OK 35 77 50 90 4.3-7.8 ~1881=34, ~1880=34...(13) HB3 LEU 38 - H TYR 41 far 11 73 15 - 5.4-6.2 HG3 GLU 37 - H TYR 41 far 0 100 0 - 6.6-7.4 HB3 GLU 35 - H TYR 41 far 0 87 0 - 8.9-10.8 Violated in 2 structures by 0.01 A. Peak 8881 from nnoeabs.peaks (1.99, 7.82, 117.81 ppm; 4.69 A): 3 out of 8 assignments used, quality = 0.98: QE MET 74 + H TYR 41 OK 91 96 95 99 4.8-5.6 9587/6659=59...(14) HB2 GLU 37 + H TYR 41 OK 65 99 70 93 5.2-6.1 1.8/8880=54...(7) HB2 GLU 44 + H TYR 41 OK 27 97 30 93 5.0-6.7 1880/3.0=65, 8988/4.6=31...(11) HB3 GLU 44 - H TYR 41 far 0 97 0 - 6.3-7.6 HB2 ARG 46 - H TYR 41 far 0 98 0 - 8.5-11.3 HB3 MET 74 - H TYR 41 far 0 87 0 - 8.9-10.1 HB3 ARG 46 - H TYR 41 far 0 82 0 - 9.0-11.3 HB2 GLU 35 - H TYR 41 far 0 91 0 - 9.0-10.7 Violated in 3 structures by 0.02 A. Peak 8882 from nnoeabs.peaks (1.89, 7.82, 117.81 ppm; 4.40 A): 1 out of 5 assignments used, quality = 0.98: HG LEU 42 + H TYR 41 OK 98 100 100 99 4.4-4.8 6675/6659=79...(11) HB3 LYS 39 - H TYR 41 far 8 82 10 - 5.0-5.7 HB2 GLU 43 - H TYR 41 far 0 95 0 - 6.8-7.3 HB VAL 54 - H TYR 41 far 0 100 0 - 8.8-9.9 HB3 LYS 33 - H TYR 41 far 0 84 0 - 10.0-12.4 Violated in 18 structures by 0.21 A. Peak 8883 from nnoeabs.peaks (1.79, 7.82, 117.81 ppm; 4.79 A): 2 out of 5 assignments used, quality = 0.99: HB2 LEU 42 + H TYR 41 OK 97 97 100 100 4.4-4.9 6673/6659=79...(11) HB2 LYS 39 + H TYR 41 OK 64 100 65 99 4.8-5.9 6620/6644=82...(7) HG3 ARG 46 - H TYR 41 far 0 100 0 - 8.2-11.4 HG2 ARG 46 - H TYR 41 far 0 73 0 - 8.2-12.0 HB VAL 78 - H TYR 41 far 0 98 0 - 9.5-11.7 Violated in 0 structures by 0.00 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 4.7-5.3 6616/6644=81...(17) Violated in 2 structures by 0.01 A. Peak 8912 from nnoeabs.peaks (0.88, 7.96, 115.96 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.72: QD1 LEU 38 + H LEU 42 OK 72 87 85 97 3.8-6.8 12068/6675=58...(10) QG2 ILE 76 - H LEU 42 far 0 100 0 - 5.5-6.8 QG1 VAL 32 - H LEU 42 far 0 88 0 - 6.2-7.3 HG13 ILE 8 - H LEU 42 far 0 100 0 - 9.3-10.7 Violated in 8 structures by 0.37 A. Peak 8913 from nnoeabs.peaks (1.42, 7.96, 115.96 ppm; 4.56 A): 0 out of 5 assignments used, quality = 0.00: HG3 LYS 39 - H LEU 42 far 13 90 15 - 5.2-6.7 HB2 LEU 38 - H LEU 42 far 7 65 10 - 5.0-6.8 QB ALA 71 - H LEU 42 far 0 99 0 - 5.9-7.5 HG13 ILE 76 - H LEU 42 far 0 95 0 - 7.6-8.6 HG13 ILE 52 - H LEU 42 far 0 61 0 - 8.8-11.2 Violated in 20 structures by 0.43 A. Peak 8914 from nnoeabs.peaks (1.69, 7.96, 115.96 ppm; 4.62 A): 1 out of 7 assignments used, quality = 0.29: HB3 LYS 40 + H LEU 42 OK 29 99 30 96 4.7-6.0 1805/6659=72...(7) HB3 LEU 70 - H LEU 42 far 0 87 0 - 6.2-8.6 HD2 LYS 39 - H LEU 42 far 0 63 0 - 7.0-8.2 HG LEU 70 - H LEU 42 far 0 100 0 - 8.0-10.1 HD3 LYS 47 - H LEU 42 far 0 99 0 - 8.9-12.2 HD3 LYS 73 - H LEU 42 far 0 84 0 - 9.2-14.9 HD2 LYS 47 - H LEU 42 far 0 99 0 - 9.3-12.5 Violated in 20 structures by 0.93 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 4.0-4.8 8928/3.0=92...(13) 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 3 assignments used, quality = 1.00: QG1 VAL 32 + H LEU 38 OK 100 100 100 100 1.9-2.9 8937=77, 8836/6581=37...(23) HG13 ILE 8 - H LEU 38 far 0 96 0 - 5.2-7.4 QG2 ILE 76 - H LEU 38 far 0 92 0 - 10.0-11.5 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 4.5-4.9 10541=100, 3.6/6576=87...(12) 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 4.2-4.6 8772=82, 6565/6576=82...(17) H GLU 43 - H LEU 38 far 0 100 0 - 8.0-8.5 H LYS 68 - H LEU 38 far 0 98 0 - 9.6-11.7 Violated in 1 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 = 0.99: QD1 LEU 42 + H LYS 39 OK 99 99 100 100 3.5-4.0 8953/3.0=85...(24) QD1 ILE 8 - H LYS 39 far 0 99 0 - 5.9-7.0 QD2 LEU 6 - H LYS 39 far 0 98 0 - 6.0-7.8 QD1 ILE 56 - H LYS 39 far 0 99 0 - 6.0-7.6 HG13 ILE 56 - H LYS 39 far 0 96 0 - 7.7-10.3 QG2 VAL 78 - H LYS 39 far 0 90 0 - 7.9-9.0 QG1 VAL 58 - H LYS 39 far 0 91 0 - 8.4-9.3 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 = 1.00: HA ASP 36 + H LYS 39 OK 100 100 100 100 3.5-4.1 10537/6604=64...(17) Violated in 0 structures by 0.00 A. Peak 8954 from nnoeabs.peaks (2.21, 8.08, 116.94 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.93: HG3 GLU 35 + H LYS 39 OK 86 99 90 97 3.6-6.8 10532/1713=59...(17) HG2 GLU 35 + H LYS 39 OK 54 99 60 91 3.9-6.5 6561/10556=31...(16) HG2 GLU 43 - H LYS 39 far 0 93 0 - 6.0-7.6 HB2 GLU 63 - H LYS 39 far 0 99 0 - 9.9-11.5 Violated in 2 structures by 0.04 A. Peak 8955 from nnoeabs.peaks (2.52, 8.08, 116.94 ppm; 5.67 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 36 + H LYS 39 OK 95 96 100 100 5.3-6.2 3.0/8949=92...(7) HB2 ASP 36 + H LYS 39 OK 95 95 100 100 5.7-6.2 3.0/8949=92...(8) HG2 MET 74 - H LYS 39 far 5 100 5 - 6.1-8.4 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 99 100 100 100 5.0-6.5 2.2/14600=71...(15) QD TYR 41 + H LYS 40 OK 92 92 100 100 4.1-5.2 4.6/6644=91, 4.6/6638=78...(20) Violated in 0 structures by 0.00 A. Peak 8972 from nnoeabs.peaks (1.67, 7.60, 120.47 ppm; 5.50 A): 3 out of 8 assignments used, quality = 0.83: HD3 LYS 47 + H GLU 44 OK 68 98 70 100 4.7-8.1 ~12088=54, ~12089=52...(17) HD2 LYS 47 + H GLU 44 OK 29 98 30 100 5.0-8.5 ~12088=54, ~12089=52...(15) HB3 LYS 40 + H GLU 44 OK 25 96 30 87 5.9-7.1 8914/6702=47...(6) HB2 LYS 40 - H GLU 44 far 4 90 5 - 6.4-7.2 HB ILE 76 - H GLU 44 far 0 87 0 - 8.3-9.2 HD3 LYS 39 - H GLU 44 far 0 82 0 - 8.5-10.7 HD2 LYS 39 - H GLU 44 far 0 97 0 - 8.6-11.3 HB ILE 52 - H GLU 44 far 0 100 0 - 9.5-11.0 Violated in 6 structures by 0.12 A. Peak 8973 from nnoeabs.peaks (1.34, 7.60, 120.47 ppm; 5.66 A): 2 out of 4 assignments used, quality = 0.93: HG3 LYS 40 + H GLU 44 OK 77 90 100 86 5.0-6.5 10586/1879=60...(8) HB3 LEU 42 + H GLU 44 OK 69 70 100 100 5.4-5.8 4.6/6697=82, 3.0/6703=82...(12) HG2 LYS 39 - H GLU 44 far 0 99 0 - 7.2-9.4 HB3 ARG 30 - H GLU 44 far 0 70 0 - 9.0-10.1 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 = 0.88: QD1 ILE 76 + H GLU 44 OK 76 79 100 96 4.9-5.6 9630/6716=42...(11) QD2 LEU 42 + H GLU 44 OK 50 100 50 99 5.9-6.3 1944/6703=70...(9) QD1 LEU 6 - H GLU 44 far 5 100 5 - 5.8-7.1 QG1 VAL 54 - H GLU 44 far 0 99 0 - 7.1-8.1 QG2 ILE 52 - H GLU 44 far 0 100 0 - 7.3-8.7 QG1 VAL 78 - H GLU 44 far 0 84 0 - 7.6-9.6 QD2 LEU 2 - H GLU 44 far 0 63 0 - 9.1-11.1 QD2 LEU 70 - H GLU 44 far 0 65 0 - 9.3-11.6 Violated in 1 structures by 0.00 A. Peak 8975 from nnoeabs.peaks (0.71, 7.60, 120.47 ppm; 5.69 A): 2 out of 6 assignments used, quality = 0.82: QD1 LEU 42 + H GLU 44 OK 59 85 70 99 6.4-6.7 4.0/6703=71, 4.7/6702=66...(9) QD1 ILE 52 + H GLU 44 OK 57 93 65 94 6.1-6.8 9152/6722=61...(4) QD2 LEU 6 - H GLU 44 far 0 82 0 - 6.7-8.0 QG1 VAL 78 - H GLU 44 far 0 73 0 - 7.6-9.6 QG2 VAL 78 - H GLU 44 far 0 99 0 - 7.8-10.5 QD1 ILE 56 - H GLU 44 far 0 100 0 - 8.6-10.5 Violated in 16 structures by 0.11 A. Peak 8976 from nnoeabs.peaks (2.98, 7.60, 120.47 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.99: HB2 PHE 45 + H GLU 44 OK 99 100 100 99 4.7-5.2 3.7/6722=84, 2.5/8985=65...(10) HE2 LYS 47 - H GLU 44 far 10 99 10 - 5.7-9.5 HE3 LYS 47 - H GLU 44 far 5 99 5 - 4.5-10.1 HB3 PHE 45 - H GLU 44 far 0 95 0 - 6.1-6.4 Violated in 7 structures by 0.03 A. Peak 8984 from nnoeabs.peaks (6.83, 7.60, 120.47 ppm; 5.48 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 41 + H GLU 44 OK 99 100 100 99 5.0-5.8 1876/1879=85...(14) QE TYR 41 - H GLU 44 far 0 90 0 - 7.0-7.6 Violated in 4 structures by 0.04 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 4.7-4.9 2.5/8976=83, 4.6/6722=81...(16) Violated in 0 structures by 0.00 A. Peak 9028 from nnoeabs.peaks (0.79, 8.02, 118.14 ppm; 3.83 A): 4 out of 16 assignments used, quality = 1.00: QD1 ILE 76 + H ARG 46 OK 99 99 100 100 2.4-3.9 9630=67, 9639/3.0=56...(23) QG2 ILE 15 + H GLU 16 OK 57 57 100 100 2.4-3.4 660=89, 2.1/652=73...(21) QD1 ILE 15 + H GLU 16 OK 40 41 100 99 4.0-4.3 3.2/652=57, 3.0/660=57...(15) HG13 ILE 15 + H GLU 16 OK 27 34 80 99 4.5-4.9 2.9/652=62, 2.1/684=55...(13) QG2 ILE 52 - H ARG 46 far 5 98 5 - 4.7-5.8 QG2 ILE 7 - H GLU 16 far 0 64 0 - 5.2-5.7 QD2 LEU 42 - H ARG 46 far 0 85 0 - 5.2-6.3 QG1 VAL 54 - H ARG 46 far 0 77 0 - 6.4-8.3 QD1 LEU 6 - H ARG 46 far 0 91 0 - 7.0-8.7 QD1 ILE 93 - H GLU 16 far 0 53 0 - 7.2-8.5 QD2 LEU 2 - H ARG 46 far 0 95 0 - 7.3-8.9 QD2 LEU 57 - H GLU 16 far 0 65 0 - 9.1-11.3 QD1 LEU 57 - H GLU 16 far 0 36 0 - 9.2-11.3 QD2 LEU 38 - H ARG 46 far 0 75 0 - 9.7-12.1 QD1 LEU 70 - H ARG 46 far 0 87 0 - 10.0-11.8 QG2 VAL 32 - H ARG 46 far 0 57 0 - 10.0-11.1 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 4 assignments used, quality = 0.91: HG2 GLU 48 + H LYS 47 OK 84 98 90 96 4.0-6.1 4.9/6780=60...(13) HG3 GLU 44 + H LYS 47 OK 44 100 50 88 4.6-7.5 1996/6758=63...(7) HG3 GLU 43 - H LYS 47 far 0 87 0 - 6.8-9.0 HB2 TYR 41 - H LYS 47 far 0 73 0 - 8.9-10.6 Violated in 6 structures by 0.01 A. Peak 9034 from nnoeabs.peaks (0.88, 7.62, 118.85 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.92: QD1 LEU 2 + H GLU 48 OK 79 100 80 99 4.2-6.8 9042/6794=69...(12) QG2 ILE 76 + H GLU 48 OK 59 100 60 98 5.0-6.6 9025/10188=54...(11) Violated in 4 structures by 0.07 A. Peak 9035 from nnoeabs.peaks (0.80, 7.62, 118.85 ppm; 5.22 A): 2 out of 6 assignments used, quality = 0.99: QG2 ILE 52 + H GLU 48 OK 95 95 100 100 4.0-5.2 3.1/9036=78...(18) QD2 LEU 2 + H GLU 48 OK 76 98 80 98 4.6-6.3 10430/6794=67...(11) QD1 ILE 76 - H GLU 48 far 15 100 15 - 5.3-7.3 QD2 LEU 42 - H GLU 48 far 0 79 0 - 7.9-9.0 QG1 VAL 54 - H GLU 48 far 0 70 0 - 8.4-9.5 QD1 LEU 6 - H GLU 48 far 0 85 0 - 9.8-11.2 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 2.7-3.1 9177/6792=71, 9149=65...(23) QG2 VAL 78 - H GLU 48 far 0 92 0 - 8.1-11.9 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: QG2 ILE 76 + H SER 49 OK 100 100 100 100 4.2-6.1 9065/3.9=79...(11) QD1 LEU 2 + H SER 49 OK 80 100 80 100 4.6-7.0 9038/2236=65...(12) Violated in 0 structures by 0.00 A. Peak 9047 from nnoeabs.peaks (0.79, 7.72, 114.22 ppm; 4.99 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 52 + H SER 49 OK 99 99 100 100 2.1-4.4 9072/6805=69...(19) QD2 LEU 2 + H SER 49 OK 73 91 85 94 4.7-6.2 9043/2257=40...(13) QD1 ILE 76 - H SER 49 far 15 98 15 - 4.8-7.4 QD2 LEU 42 - H SER 49 far 0 91 0 - 7.9-9.4 QG1 VAL 54 - H SER 49 far 0 84 0 - 8.7-10.8 QD2 LEU 103 - H SER 49 far 0 59 0 - 9.8-18.7 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 2 assignments used, quality = 1.00: QD1 ILE 52 + H SER 49 OK 100 100 100 100 2.1-4.8 9150=86, 9036/6795=75...(23) QG2 VAL 78 - H SER 49 far 0 91 0 - 7.7-11.3 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 = 0.99: H LYS 47 + H SER 49 OK 94 99 95 100 3.7-6.0 6778/6795=88...(11) H ILE 52 + H SER 49 OK 89 98 100 91 4.8-5.8 6864/9048=48...(8) HE ARG 46 - H SER 49 far 5 98 5 - 5.9-8.7 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 - 4.9-10.8 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): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.0-6.0 3.0/9096=94, 6814/4.5=79...(9) H ASN 51 + HE22 GLN 50 OK 98 98 100 100 3.8-6.6 3.6/9096=88, 6830/4.5=74...(8) H LEU 2 - HE22 GLN 50 far 0 63 0 - 7.6-11.3 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 = 0.97: HA GLN 50 + HE22 GLN 50 OK 94 94 100 100 2.1-4.3 5.7=100 HA GLU 48 + HE22 GLN 50 OK 45 98 60 77 2.1-8.4 12314/6.6=51...(6) HA ILE 76 - HE22 GLN 50 far 0 98 0 - 9.5-13.0 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 2.2-4.1 3.5=100 HG2 GLN 50 + HE22 GLN 50 OK 75 75 100 100 2.1-3.5 3.5=100 HG3 GLU 48 - HE22 GLN 50 far 0 100 0 - 5.6-11.4 HG3 MET 1 - HE22 GLN 50 far 0 98 0 - 8.3-11.7 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 2.1-3.5 3.5=100 HG3 GLN 50 + HE22 GLN 50 OK 75 75 100 100 2.2-4.1 3.5=100 HG3 GLU 48 - HE22 GLN 50 far 0 79 0 - 5.6-11.4 HG3 MET 1 - HE22 GLN 50 far 0 94 0 - 8.3-11.7 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 2 assignments used, quality = 1.00: * HB3 GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.9-5.0 4.5=100 HG2 MET 1 - HE22 GLN 50 far 0 87 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 9090 from nnoeabs.peaks (2.02, 7.62, 112.80 ppm; 5.57 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.9-4.3 4.5=100 HB3 GLU 48 - HE22 GLN 50 poor 17 87 20 - 4.7-10.1 HB3 MET 1 - HE22 GLN 50 far 0 91 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. Peak 9091 from nnoeabs.peaks (0.89, 7.62, 112.80 ppm; 4.99 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 2 - HE22 GLN 50 far 15 100 15 - 4.6-9.5 QG2 ILE 76 - HE22 GLN 50 far 0 100 0 - 7.8-11.1 QD1 LEU 103 - HE22 GLN 50 far 0 87 0 - 9.1-19.5 Violated in 18 structures by 1.97 A. Peak 9092 from nnoeabs.peaks (0.81, 7.62, 112.80 ppm; 5.16 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 2 - HE22 GLN 50 far 15 100 15 - 4.8-9.5 QG2 ILE 52 - HE22 GLN 50 far 0 81 0 - 6.2-8.9 QD1 ILE 76 - HE22 GLN 50 far 0 100 0 - 8.9-13.2 Violated in 18 structures by 1.14 A. Peak 9093 from nnoeabs.peaks (0.88, 6.92, 112.80 ppm; 5.06 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 2 - HE21 GLN 50 far 10 100 10 - 5.3-9.3 QG2 ILE 76 - HE21 GLN 50 far 0 100 0 - 7.9-12.3 QD1 LEU 103 - HE21 GLN 50 far 0 94 0 - 9.9-20.1 Violated in 20 structures by 2.44 A. Peak 9094 from nnoeabs.peaks (0.82, 6.92, 112.80 ppm; 4.75 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 2 - HE21 GLN 50 far 0 99 0 - 5.8-9.5 QG2 ILE 52 - HE21 GLN 50 far 0 57 0 - 6.5-9.8 QD1 ILE 76 - HE21 GLN 50 far 0 94 0 - 8.8-14.3 Violated in 20 structures by 2.22 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 2.0-6.0 9096/3.0=94, 4.5/6814=79...(10) H GLU 48 + H GLN 50 OK 99 99 100 100 4.6-5.4 3.0/12314=93...(12) 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 6 assignments used, quality = 1.00: QD2 LEU 2 + H GLN 50 OK 97 98 100 99 3.7-5.6 10430/11027=66...(16) QG2 ILE 52 + H GLN 50 OK 95 95 100 100 1.9-5.2 9066/4.3=78, 9072/4.3=73...(14) QD1 ILE 76 - H GLN 50 far 5 100 5 - 6.7-9.4 QD2 LEU 103 - H GLN 50 far 0 75 0 - 8.6-17.9 QD2 LEU 42 - H GLN 50 far 0 79 0 - 9.3-10.8 QG1 VAL 54 - H GLN 50 far 0 70 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 9105 from nnoeabs.peaks (1.68, 8.53, 118.16 ppm; 5.83 A): 1 out of 5 assignments used, quality = 0.99: HB ILE 52 + H ASN 51 OK 99 99 100 100 3.4-5.3 6860/6839=93...(12) HB2 LEU 2 - H ASN 51 far 4 88 5 - 6.5-10.2 HB3 LYS 53 - H ASN 51 far 0 100 0 - 7.9-8.8 HB ILE 76 - H ASN 51 far 0 70 0 - 9.8-12.1 HD2 LYS 47 - H ASN 51 far 0 100 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 9106 from nnoeabs.peaks (1.47, 8.53, 118.16 ppm; 5.69 A): 1 out of 6 assignments used, quality = 0.68: HG2 LYS 53 + H ASN 51 OK 68 100 100 68 5.7-6.2 6863/6839=37...(7) HG13 ILE 52 - H ASN 51 poor 20 98 20 - 5.8-7.4 HG3 LYS 53 - H ASN 51 far 10 100 10 - 6.5-7.7 HD2 LYS 53 - H ASN 51 far 5 99 5 - 6.2-8.5 HG2 LYS 47 - H ASN 51 far 0 90 0 - 8.0-13.3 HG13 ILE 76 - H ASN 51 far 0 71 0 - 8.7-12.6 Violated in 20 structures by 0.38 A. Peak 9107 from nnoeabs.peaks (0.78, 8.53, 118.16 ppm; 4.72 A): 2 out of 5 assignments used, quality = 0.98: QG2 ILE 52 + H ASN 51 OK 95 100 95 100 3.9-5.6 2350/6839=70...(14) QD2 LEU 2 + H ASN 51 OK 65 71 95 96 2.9-6.0 9116/6836=52...(17) QD1 ILE 76 - H ASN 51 far 0 85 0 - 8.3-10.8 QG1 VAL 78 - H ASN 51 far 0 77 0 - 8.8-11.4 QD2 LEU 42 - H ASN 51 far 0 99 0 - 9.6-12.0 Violated in 1 structures by 0.00 A. Peak 9108 from nnoeabs.peaks (3.86, 8.53, 118.16 ppm; 5.37 A): 1 out of 5 assignments used, quality = 0.44: HB3 SER 49 + H ASN 51 OK 44 100 45 98 5.3-7.8 3.0/9110=77, 1.8/9109=72...(7) HB2 SER 102 - H ASN 51 far 0 75 0 - 6.6-17.0 HA2 GLY 101 - H ASN 51 far 0 100 0 - 8.3-12.0 HA3 GLY 101 - H ASN 51 far 0 77 0 - 8.7-12.5 HA2 GLY 100 - H ASN 51 far 0 100 0 - 9.8-12.4 Violated in 19 structures by 1.23 A. Peak 9109 from nnoeabs.peaks (4.07, 8.53, 118.16 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.69: HB2 SER 49 + H ASN 51 OK 69 99 70 100 5.1-7.0 1.8/9108=91, 3.0/9110=85...(6) HA ARG 46 - H ASN 51 far 0 99 0 - 7.4-9.8 Violated in 11 structures by 0.45 A. Peak 9110 from nnoeabs.peaks (4.26, 8.53, 118.16 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.92: HA SER 49 + H ASN 51 OK 92 97 95 99 3.6-5.8 2262/4.6=62, 3.0/9108=58...(11) Violated in 16 structures by 0.44 A. Peak 9117 from nnoeabs.peaks (2.41, 6.98, 112.98 ppm; 5.62 A): 3 out of 4 assignments used, quality = 0.81: HG3 MET 1 + HD21 ASN 51 OK 55 100 55 100 5.3-7.2 10633/3.5=66...(23) HG2 GLN 50 + HD21 ASN 51 OK 38 98 40 97 3.1-7.7 3.7/9129=65...(10) HG3 GLN 50 + HD21 ASN 51 OK 31 93 35 96 3.0-8.2 3.7/9129=65, 2.9/9118=34...(11) HG3 GLU 48 - HD21 ASN 51 far 0 95 0 - 9.4-13.1 Violated in 1 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: HB2 GLN 50 + HD21 ASN 51 OK 92 93 100 99 3.8-5.8 3.0/9129=63, 4.6/6841=53...(12) QE MET 1 + HD21 ASN 51 OK 80 81 100 99 3.8-5.8 8030/3.5=58, 8036/1.7=54...(11) HB3 MET 1 + HD21 ASN 51 OK 40 100 40 100 4.9-8.8 3.0/9130=58, ~8001=49...(26) Violated in 0 structures by 0.00 A. Peak 9119 from nnoeabs.peaks (1.50, 6.98, 112.98 ppm; 5.32 A): 0 out of 4 assignments used, quality = 0.00: HG2 LYS 53 - HD21 ASN 51 far 0 57 0 - 7.4-9.2 HG3 LYS 53 - HD21 ASN 51 far 0 68 0 - 7.7-10.4 HG LEU 2 - HD21 ASN 51 far 0 98 0 - 8.7-10.9 HB3 LEU 103 - HD21 ASN 51 far 0 92 0 - 9.2-19.6 Violated in 20 structures by 2.00 A. Peak 9120 from nnoeabs.peaks (0.90, 6.98, 112.98 ppm; 5.37 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 2 - HD21 ASN 51 far 14 96 15 - 6.0-8.9 QD1 LEU 103 - HD21 ASN 51 far 3 70 5 - 6.0-15.0 QG2 ILE 76 - HD21 ASN 51 far 0 96 0 - 9.6-11.9 Violated in 20 structures by 1.54 A. Peak 9121 from nnoeabs.peaks (0.83, 6.98, 112.98 ppm; 6.12 A): 1 out of 3 assignments used, quality = 0.78: QD2 LEU 2 + HD21 ASN 51 OK 78 92 85 100 5.4-7.5 10128=85, 9127/1.7=80...(13) QD2 LEU 103 - HD21 ASN 51 far 5 100 5 - 5.9-16.9 QD1 LEU 103 - HD21 ASN 51 far 3 65 5 - 6.0-15.0 Violated in 11 structures by 0.33 A. Peak 9122 from nnoeabs.peaks (2.40, 7.68, 112.98 ppm; 6.34 A): 3 out of 4 assignments used, quality = 0.99: HG3 MET 1 + HD22 ASN 51 OK 94 94 100 100 4.0-7.1 3.3/8036=81, 4.2/8001=74...(25) HG2 GLN 50 + HD22 ASN 51 OK 79 100 80 99 1.9-8.3 3.7/9128=71...(10) HG3 GLN 50 + HD22 ASN 51 OK 55 75 75 98 2.0-8.4 3.7/9128=71, ~9118=32...(11) HG3 GLU 48 - HD22 ASN 51 far 0 79 0 - 7.8-12.4 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 2 assignments used, quality = 0.00: HB2 GLU 48 - HD22 ASN 51 far 14 91 15 - 6.2-9.9 HG2 GLU 48 - HD22 ASN 51 far 0 97 0 - 7.9-12.8 Violated in 20 structures by 1.83 A. Peak 9124 from nnoeabs.peaks (1.99, 7.68, 112.98 ppm; 5.42 A): 3 out of 3 assignments used, quality = 1.00: QE MET 1 + HD22 ASN 51 OK 95 95 100 100 2.4-5.4 8036=84, 8030/3.5=76...(14) HB2 GLN 50 + HD22 ASN 51 OK 77 77 100 99 2.8-6.0 3.0/9128=58, 4.6/6838=56...(12) HB3 MET 1 + HD22 ASN 51 OK 74 99 75 100 3.8-7.9 3.0/8001=68, 4.2/8036=55...(27) Violated in 0 structures by 0.00 A. Peak 9125 from nnoeabs.peaks (1.51, 7.68, 112.98 ppm; 5.40 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 2 - HD22 ASN 51 far 0 100 0 - 7.2-9.9 HB3 LEU 103 - HD22 ASN 51 far 0 97 0 - 8.5-20.0 Violated in 20 structures by 2.69 A. Peak 9126 from nnoeabs.peaks (0.90, 7.68, 112.98 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.33: QD1 LEU 2 + HD22 ASN 51 OK 33 96 35 99 4.6-8.2 2.1/9127=64, ~10128=53...(13) QD1 LEU 103 - HD22 ASN 51 far 3 70 5 - 5.8-15.5 QG2 ILE 76 - HD22 ASN 51 far 0 96 0 - 8.5-11.3 Violated in 16 structures by 1.05 A. Peak 9127 from nnoeabs.peaks (0.81, 7.68, 112.98 ppm; 5.69 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 2 + HD22 ASN 51 OK 100 100 100 100 4.1-6.5 2.1/9126=90...(14) QG2 ILE 52 - HD22 ASN 51 far 11 73 15 - 6.2-8.0 QD2 LEU 103 - HD22 ASN 51 far 5 96 5 - 5.2-17.1 Violated in 5 structures by 0.08 A. Peak 9128 from nnoeabs.peaks (4.41, 7.68, 112.98 ppm; 6.12 A): 1 out of 3 assignments used, quality = 0.98: HA GLN 50 + HD22 ASN 51 OK 98 98 100 100 3.9-5.9 9129/1.7=93, 3.6/6838=80...(10) HA GLU 48 - HD22 ASN 51 far 9 94 10 - 6.6-10.8 HA SER 102 - HD22 ASN 51 far 4 77 5 - 6.2-16.1 Violated in 0 structures by 0.00 A. Peak 9129 from nnoeabs.peaks (4.42, 6.98, 112.98 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.93: HA GLN 50 + HD21 ASN 51 OK 93 94 100 99 5.0-5.6 3.6/6841=70, 9128/1.7=69...(10) HA SER 102 - HD21 ASN 51 far 0 65 0 - 7.6-15.9 HA GLU 48 - HD21 ASN 51 far 0 98 0 - 8.1-11.0 Violated in 6 structures by 0.01 A. Peak 9130 from nnoeabs.peaks (4.15, 6.98, 112.98 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.94: HA MET 1 + HD21 ASN 51 OK 94 99 95 100 4.8-6.9 8001/1.7=89, 8005/3.5=87...(22) Violated in 12 structures by 0.24 A. Peak 9137 from nnoeabs.peaks (6.45, 7.49, 117.93 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.94: QE TYR 4 + H ILE 52 OK 94 100 95 99 6.1-7.1 9142/6860=59...(11) QD TYR 4 - H ILE 52 far 10 98 10 - 6.4-8.1 Violated in 20 structures by 0.69 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 98 3.5-4.8 3.6/6839=81...(8) HA GLU 48 - H ILE 52 poor 20 99 20 - 5.4-7.5 HA ILE 76 - H ILE 52 far 0 99 0 - 6.5-8.4 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 3 assignments used, quality = 0.97: QD1 LEU 2 + H ILE 52 OK 96 96 100 100 4.4-5.5 8049/3.0=65...(20) QG2 ILE 76 + H ILE 52 OK 41 96 60 70 4.8-6.6 10640/6864=34...(6) QD1 LEU 103 - H ILE 52 far 0 70 0 - 7.5-15.7 Violated in 0 structures by 0.00 A. Peak 9154 from nnoeabs.peaks (1.99, 7.49, 117.93 ppm; 4.71 A): 2 out of 6 assignments used, quality = 0.99: QE MET 1 + H ILE 52 OK 98 99 100 100 3.9-5.0 8037=94, 8032/6854=74...(13) HB2 GLN 50 + H ILE 52 OK 55 65 90 94 4.9-6.0 3.0/9139=60, 4.6/6839=59...(8) HB3 MET 1 - H ILE 52 far 0 96 0 - 6.6-9.1 HB2 ARG 46 - H ILE 52 far 0 98 0 - 9.0-11.1 HB3 ARG 46 - H ILE 52 far 0 81 0 - 9.0-10.8 HB2 LYS 47 - H ILE 52 far 0 93 0 - 9.1-11.2 Violated in 0 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 100 100 100 100 2.4-3.0 8064=88, 125/9182=50...(20) HA VAL 54 + H LYS 53 OK 55 79 75 93 4.6-4.8 ~6886=27, 10203/11098=26...(16) HA TYR 4 - H LYS 53 far 0 98 0 - 5.9-6.7 HA VAL 5 - H LYS 53 far 0 87 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 9179 from nnoeabs.peaks (2.44, 8.47, 123.25 ppm; 5.98 A): 2 out of 6 assignments used, quality = 0.97: HG3 MET 1 + H LYS 53 OK 90 95 95 100 4.9-7.4 1.8/9180=88...(11) HB3 TYR 4 + H LYS 53 OK 73 88 85 97 4.6-7.1 3.8/11098=85...(7) HG3 GLU 48 - H LYS 53 far 10 100 10 - 6.1-9.5 HG3 GLN 50 - H LYS 53 far 0 100 0 - 8.3-11.4 HG2 GLN 50 - H LYS 53 far 0 68 0 - 8.3-11.0 HG3 GLU 99 - H LYS 53 far 0 100 0 - 9.1-14.3 Violated in 1 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 = 0.96: HG2 MET 1 + H LYS 53 OK 96 96 100 100 5.5-6.3 8100/9182=80...(11) HG2 GLU 99 - H LYS 53 far 0 100 0 - 8.8-14.3 Violated in 13 structures by 0.18 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 4.9-5.9 2.1/9182=98, 3.9/8064=80...(19) QD1 LEU 55 - H LYS 53 far 0 63 0 - 7.9-9.1 QD2 LEU 55 - H LYS 53 far 0 68 0 - 8.2-9.1 Violated in 11 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 2.5-4.0 8114/3.9=55, 125/8064=55...(20) Violated in 0 structures by 0.00 A. Peak 9183 from nnoeabs.peaks (1.17, 8.47, 123.25 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.90: HB3 LEU 3 + H LYS 53 OK 90 90 100 100 4.1-5.7 3.0/8064=94, 3.1/9182=92...(9) Violated in 2 structures by 0.00 A. Peak 9184 from nnoeabs.peaks (1.32, 8.47, 123.25 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.98: HG LEU 3 + H LYS 53 OK 93 93 100 100 3.5-5.3 2.1/9182=93, 3.7/8064=75...(15) HB3 LEU 2 + H LYS 53 OK 69 96 75 96 5.0-6.7 8047/6868=64...(10) HB3 LEU 27 - H LYS 53 far 0 84 0 - 7.5-8.5 QB ALA 25 - H LYS 53 far 0 91 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 9185 from nnoeabs.peaks (2.00, 8.47, 123.25 ppm; 5.71 A): 1 out of 6 assignments used, quality = 0.81: QE MET 1 + H LYS 53 OK 81 81 100 100 3.8-5.4 3.3/9180=67...(16) HB3 MET 1 - H LYS 53 far 0 100 0 - 7.5-8.9 HB2 GLU 99 - H LYS 53 far 0 59 0 - 8.4-12.2 HB3 GLU 99 - H LYS 53 far 0 71 0 - 8.9-13.2 HB2 GLN 50 - H LYS 53 far 0 93 0 - 8.9-10.4 HB2 ARG 46 - H LYS 53 far 0 77 0 - 9.9-12.1 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 = 0.99: QE TYR 4 + H LYS 53 OK 94 95 100 99 3.8-5.0 9142/2349=45...(17) QD TYR 4 + H LYS 53 OK 78 79 100 99 2.8-5.1 4.5/11098=62...(20) 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 3.8-4.9 2.2/9219=83, 9220/3.0=79...(19) 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 2 assignments used, quality = 0.99: HZ PHE 96 + H VAL 54 OK 99 99 100 100 2.5-4.3 2.2/9218=69...(16) HZ3 TRP 92 - H VAL 54 far 0 99 0 - 9.6-13.4 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 = 0.95: HB3 ASP 77 + H VAL 54 OK 95 100 95 100 4.6-6.9 1.8/9242=98...(11) HB3 TYR 41 - H VAL 54 far 0 100 0 - 8.9-10.6 HG3 MET 74 - H VAL 54 far 0 99 0 - 9.7-14.5 Violated in 13 structures by 0.24 A. Peak 9242 from nnoeabs.peaks (3.22, 8.49, 120.76 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.87: HB2 ASP 77 + H VAL 54 OK 87 98 90 99 4.2-6.7 9673/6886=66...(13) Violated in 10 structures by 0.31 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 3.0-4.3 10669/2.9=64...(17) Violated in 0 structures by 0.00 A. Peak 9292 from nnoeabs.peaks (7.07, 8.64, 131.90 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.98: HZ PHE 96 + H LEU 55 OK 96 100 100 97 3.2-4.5 2.2/9291=67...(13) QD PHE 96 + H LEU 55 OK 45 63 75 94 4.0-5.5 2.2/9291=67, ~10669=37...(13) HZ3 TRP 92 - H LEU 55 far 0 100 0 - 8.1-11.3 Violated in 2 structures by 0.01 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 3.8-4.6 8121=97, 10203/6902=67...(12) H ILE 93 - H LEU 55 far 0 100 0 - 8.7-9.6 Violated in 3 structures by 0.02 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 3.2-4.1 8199=91, 6059/9295=74...(15) 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...(20) HA LEU 3 - H LEU 55 far 0 63 0 - 5.7-6.8 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 = 0.99: H VAL 5 + H LEU 55 OK 97 97 100 100 4.2-4.6 3.0/9295=99, 8161=93...(13) H LEU 57 + H LEU 55 OK 53 100 55 97 5.9-6.9 9333/8199=71...(7) 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 4 assignments used, quality = 0.97: H ARG 79 + H ILE 56 OK 97 97 100 100 2.9-4.2 9697=96, 11117/6915=68...(16) H VAL 54 - H ILE 56 far 0 88 0 - 5.8-6.8 H VAL 58 - H ILE 56 far 0 79 0 - 6.4-6.8 H ALA 67 - H ILE 56 far 0 71 0 - 8.5-9.1 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 3.2-4.3 9753=99, 7311/9299=80...(16) H LYS 82 - H ILE 56 far 0 71 0 - 7.2-8.4 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 2.4-3.4 9701=85, 10293/6922=49...(17) 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 = 0.96: HA VAL 78 + H ILE 56 OK 93 100 100 93 5.1-5.9 7284/9697=79...(10) HA VAL 54 + H ILE 56 OK 39 63 80 76 5.5-6.1 3.2/10662=46...(4) Violated in 6 structures by 0.03 A. Peak 9301 from nnoeabs.peaks (5.11, 9.19, 126.37 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 5 + H ILE 56 OK 100 100 100 100 4.9-5.5 6059/11108=73...(14) HA ILE 7 - H ILE 56 far 0 93 0 - 6.5-7.0 HA TYR 4 - H ILE 56 far 0 75 0 - 9.0-9.6 HA LEU 3 - H ILE 56 far 0 96 0 - 9.8-10.8 Violated in 11 structures by 0.09 A. Peak 9318 from nnoeabs.peaks (1.34, 9.19, 126.37 ppm; 5.64 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 67 + H ILE 56 OK 100 100 100 100 4.8-5.3 9528/4.0=91...(12) HG3 LYS 68 - H ILE 56 far 0 100 0 - 7.2-10.6 HG12 ILE 8 - H ILE 56 far 0 92 0 - 7.9-9.2 QB ALA 89 - H ILE 56 far 0 100 0 - 8.0-9.3 HB2 LYS 82 - H ILE 56 far 0 100 0 - 8.3-9.9 HB2 LEU 70 - H ILE 56 far 0 84 0 - 9.2-11.5 HB3 ARG 30 - H ILE 56 far 0 81 0 - 9.3-11.2 Violated in 0 structures by 0.00 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 5.3-6.2 9702=99, 2.1/10914=97...(9) HA LEU 42 - H ILE 56 far 0 70 0 - 9.0-10.8 Violated in 15 structures by 0.15 A. Peak 9331 from nnoeabs.peaks (8.78, 8.93, 126.55 ppm; 4.21 A): 2 out of 3 assignments used, quality = 0.99: H ILE 8 + H LEU 57 OK 98 98 100 100 3.4-4.2 8292=94, 6087/9332=71...(15) H ARG 81 + H LEU 57 OK 58 84 70 99 4.7-5.3 11122/3.0=56...(16) H SER 59 - H LEU 57 far 0 98 0 - 7.4-7.6 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 2.2-2.7 8239=77, 6087/8292=45...(20) HA VAL 5 - H LEU 57 far 0 90 0 - 5.1-6.3 HA VAL 54 - H LEU 57 far 0 75 0 - 8.1-8.7 HA TYR 4 - H LEU 57 far 0 96 0 - 9.6-10.7 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 3.7-4.3 8216/6930=70...(20) 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): 2 out of 5 assignments used, quality = 0.94: HG LEU 55 + H LEU 57 OK 77 82 100 94 4.0-4.9 2.1/9349=52, 2536/4.5=25...(13) QG2 THR 80 + H LEU 57 OK 74 99 75 100 4.7-5.8 9734/6932=70...(15) HB3 LEU 55 - H LEU 57 far 0 65 0 - 5.3-6.5 QG2 VAL 83 - H LEU 57 far 0 81 0 - 5.4-6.0 QG1 VAL 83 - H LEU 57 far 0 93 0 - 5.6-6.4 Violated in 2 structures by 0.01 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 4.3-5.9 6919/4.5=77, 9281=76...(18) HG2 ARG 81 - H LEU 57 far 0 96 0 - 6.7-9.1 Violated in 7 structures by 0.11 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 THR 80 + H VAL 58 OK 93 100 95 98 3.7-5.3 10223/6954=61...(12) QG2 VAL 83 + H VAL 58 OK 89 90 100 100 3.3-4.2 9788=67, 3748/9771=46...(13) QG1 VAL 83 + H VAL 58 OK 84 85 100 99 3.8-4.7 2.1/9788=62, 4.0/9771=46...(12) HG LEU 55 - H VAL 58 far 0 91 0 - 6.4-7.1 QG2 VAL 5 - H VAL 58 far 0 59 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 9371 from nnoeabs.peaks (1.37, 8.54, 114.40 ppm; 4.86 A): 2 out of 6 assignments used, quality = 0.95: HB2 LYS 82 + H VAL 58 OK 87 87 100 100 3.7-5.0 3.0/9372=84, 4.6/9771=59...(15) QB ALA 67 + H VAL 58 OK 62 77 90 90 4.7-5.8 9378/6953=35...(11) QB ALA 89 - H VAL 58 far 8 81 10 - 5.4-7.0 HG12 ILE 8 - H VAL 58 far 0 100 0 - 6.3-7.4 HG LEU 14 - H VAL 58 far 0 95 0 - 8.0-9.6 HG3 LYS 68 - H VAL 58 far 0 94 0 - 8.1-11.3 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 = 1.00: HA LYS 82 + H VAL 58 OK 100 100 100 100 2.0-2.8 11123=66, 10228/6953=58...(18) HA LEU 55 - H VAL 58 far 0 84 0 - 8.2-8.5 HA ARG 79 - H VAL 58 far 0 96 0 - 9.3-10.6 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 1 assignment used, quality = 1.00: H VAL 83 + H VAL 58 OK 100 100 100 100 2.7-3.9 9771=100, 7343/9372=64...(12) 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 9 assignments used, quality = 0.92: QG2 ILE 8 + H SER 59 OK 92 92 100 100 3.5-4.5 2.1/9400=77...(14) QD1 LEU 57 - H SER 59 far 0 91 0 - 6.4-7.4 QG2 ILE 7 - H SER 59 far 0 99 0 - 7.1-7.8 QD2 LEU 57 - H SER 59 far 0 99 0 - 7.4-8.0 QD2 LEU 38 - H SER 59 far 0 96 0 - 7.5-8.5 QG2 VAL 32 - H SER 59 far 0 85 0 - 8.6-9.8 QG2 ILE 15 - H SER 59 far 0 100 0 - 9.6-10.9 QD1 LEU 70 - H SER 59 far 0 99 0 - 9.6-13.3 QD1 LEU 6 - H SER 59 far 0 65 0 - 9.9-11.2 Violated in 1 structures by 0.00 A. Peak 9397 from nnoeabs.peaks (0.97, 8.80, 115.50 ppm; 5.72 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 83 + H SER 59 OK 99 99 100 100 4.6-5.4 10728/3.0=95...(9) QG2 THR 80 - H SER 59 poor 20 100 20 - 6.3-7.7 QG1 VAL 83 - H SER 59 poor 13 63 20 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 9398 from nnoeabs.peaks (1.34, 8.80, 115.50 ppm; 6.50 A): 3 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + H SER 59 OK 100 100 100 100 4.9-6.3 9416/6967=89...(12) QB ALA 67 + H SER 59 OK 95 100 100 95 6.2-6.9 9384/6961=60...(8) HG12 ILE 8 + H SER 59 OK 80 84 95 100 6.3-7.5 2.9/9400=99, 3.1/9396=97...(7) QB ALA 89 - H SER 59 poor 20 100 20 - 7.1-8.7 HG LEU 14 - H SER 59 far 0 98 0 - 8.0-9.5 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 3.1-3.6 1.8/9401=79...(12) HB3 LYS 82 - H SER 59 far 0 98 0 - 6.1-7.2 HB ILE 56 - H SER 59 far 0 98 0 - 8.3-9.1 HB2 GLU 88 - H SER 59 far 0 71 0 - 9.6-10.6 HB2 LYS 66 - H SER 59 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 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 3.5-4.7 9374/6958=72...(10) HB3 LEU 14 - H SER 59 far 0 100 0 - 8.0-9.2 HB VAL 32 - H SER 59 far 0 63 0 - 8.2-9.4 HB2 LYS 33 - H SER 59 far 0 97 0 - 9.9-13.0 Violated in 3 structures by 0.02 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 3.8-4.7 1.8/9399=77...(10) Violated in 3 structures by 0.02 A. Peak 9402 from nnoeabs.peaks (3.93, 8.80, 115.50 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.92: HA GLU 63 + H SER 59 OK 76 96 80 100 6.0-6.4 3.0/9401=85, 3.0/9399=84...(8) HB3 SER 9 + H SER 59 OK 67 100 80 84 4.6-6.9 3.0/9403=63, 8349=37...(5) HA ALA 89 - H SER 59 far 0 79 0 - 9.5-10.5 Violated in 6 structures by 0.06 A. Peak 9403 from nnoeabs.peaks (4.43, 8.80, 115.50 ppm; 5.82 A): 1 out of 2 assignments used, quality = 0.98: HA SER 9 + H SER 59 OK 98 100 100 98 4.5-5.3 9405/6964=76...(6) HB THR 84 - H SER 59 far 0 99 0 - 8.0-10.1 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 2.3-3.0 6959/6967=58...(19) 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 2.6-4.7 3.0/9413=76, 1.8/9412=76...(13) HB2 ASP 61 - H ASN 60 far 0 94 0 - 6.3-7.5 Violated in 1 structures by 0.01 A. Peak 9412 from nnoeabs.peaks (2.29, 7.73, 117.52 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.99: HG2 GLU 63 + H ASN 60 OK 99 99 100 100 2.7-4.5 1.8/9411=80, 3.0/9413=78...(14) HG2 GLU 62 - H ASN 60 far 0 88 0 - 6.7-8.9 HG3 GLU 62 - H ASN 60 far 0 88 0 - 7.1-9.1 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 = 0.79: HB2 GLU 63 + H ASN 60 OK 79 100 80 99 3.6-4.8 1.8/9414=64, 3.0/9411=43...(12) Violated in 19 structures by 0.52 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 2.4-3.3 1.8/9413=83, 3.0/9411=51...(18) HB3 LYS 82 - H ASN 60 far 0 96 0 - 5.0-7.0 HB ILE 56 - H ASN 60 far 0 95 0 - 8.8-10.0 HB2 LYS 66 - H ASN 60 far 0 97 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 9415 from nnoeabs.peaks (1.50, 7.73, 117.52 ppm; 4.74 A): 1 out of 6 assignments used, quality = 0.72: HB3 LEU 64 + H ASN 60 OK 72 98 80 91 4.7-5.9 10747/9414=49...(10) HG LEU 64 - H ASN 60 far 0 90 0 - 7.1-8.3 HG2 LYS 66 - H ASN 60 far 0 99 0 - 8.5-11.5 HG3 LYS 66 - H ASN 60 far 0 99 0 - 9.2-11.2 HB2 LEU 14 - H ASN 60 far 0 92 0 - 9.8-11.3 HG LEU 57 - H ASN 60 far 0 100 0 - 9.8-10.7 Violated in 19 structures by 0.45 A. Peak 9416 from nnoeabs.peaks (1.34, 7.73, 117.52 ppm; 5.34 A): 1 out of 6 assignments used, quality = 0.95: HB2 LYS 82 + H ASN 60 OK 95 100 95 100 4.2-6.2 2.9/9417=81, 3.0/9421=74...(16) QB ALA 67 - H ASN 60 far 0 100 0 - 6.3-7.1 HG12 ILE 8 - H ASN 60 far 0 88 0 - 7.8-8.8 QB ALA 89 - H ASN 60 far 0 100 0 - 8.5-10.1 HG3 LYS 68 - H ASN 60 far 0 99 0 - 9.7-12.7 HG LEU 14 - H ASN 60 far 0 99 0 - 9.7-11.0 Violated in 4 structures by 0.06 A. Peak 9417 from nnoeabs.peaks (1.15, 7.73, 117.52 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.94: HG3 LYS 82 + H ASN 60 OK 94 99 95 100 3.5-5.7 1.8/9418=60, 2.9/9416=53...(13) Violated in 4 structures by 0.07 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 2.2-5.8 1.8/9417=95, 2.9/9416=71...(19) HB3 ARG 81 - H ASN 60 far 0 100 0 - 9.3-10.8 Violated in 1 structures by 0.02 A. Peak 9419 from nnoeabs.peaks (0.81, 7.73, 117.52 ppm; 5.17 A): 1 out of 7 assignments used, quality = 0.88: QG2 ILE 8 + H ASN 60 OK 88 88 100 100 4.6-5.4 9396/6967=78...(10) QD1 LEU 57 - H ASN 60 far 0 94 0 - 7.2-8.6 QD2 LEU 38 - H ASN 60 far 0 98 0 - 7.7-9.0 QD2 LEU 57 - H ASN 60 far 0 97 0 - 8.3-9.4 QG2 ILE 7 - H ASN 60 far 0 99 0 - 8.6-9.3 QG2 VAL 32 - H ASN 60 far 0 90 0 - 9.6-10.8 QD1 LEU 70 - H ASN 60 far 0 100 0 - 9.7-13.2 Violated in 8 structures by 0.04 A. Peak 9420 from nnoeabs.peaks (0.70, 7.73, 117.52 ppm; 3.25 A): 2 out of 7 assignments used, quality = 0.94: QG2 VAL 58 + H ASN 60 OK 84 85 100 99 1.9-3.5 2.1/9410=55, 3.2/9422=35...(23) QG1 VAL 58 + H ASN 60 OK 63 92 70 98 3.9-4.5 2.1/9410=55...(19) QD1 ILE 8 - H ASN 60 far 0 99 0 - 5.4-6.6 QD2 LEU 14 - H ASN 60 far 0 99 0 - 6.3-7.8 QD1 LEU 14 - H ASN 60 far 0 88 0 - 6.9-8.1 QD1 ILE 56 - H ASN 60 far 0 100 0 - 9.0-10.5 HG3 ARG 81 - H ASN 60 far 0 59 0 - 9.1-13.0 Violated in 3 structures by 0.01 A. Peak 9421 from nnoeabs.peaks (4.71, 7.73, 117.52 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.95: HA LYS 82 + H ASN 60 OK 95 100 95 100 4.6-6.0 10723/3.6=67...(11) Violated in 13 structures by 0.27 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 4.0-4.3 6958/6967=73...(13) Violated in 10 structures by 0.04 A. Peak 9425 from nnoeabs.peaks (2.52, 6.87, 113.68 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.95: HG3 GLU 63 + HD21 ASN 60 OK 95 100 95 100 1.9-5.7 1.8/9426=70, 9430/1.7=65...(13) HB2 ASP 61 - HD21 ASN 60 far 0 100 0 - 6.8-9.3 Violated in 7 structures by 0.17 A. Peak 9426 from nnoeabs.peaks (2.30, 6.87, 113.68 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.94: HG2 GLU 63 + HD21 ASN 60 OK 94 99 95 100 1.9-6.4 1.8/9425=86...(13) Violated in 6 structures by 0.16 A. Peak 9427 from nnoeabs.peaks (2.23, 6.87, 113.68 ppm; 5.25 A): 1 out of 3 assignments used, quality = 0.47: HB2 GLU 63 + HD21 ASN 60 OK 47 79 60 100 3.7-8.2 3.0/9425=82, 3.0/9426=77...(9) HG2 GLU 62 - HD21 ASN 60 poor 13 63 20 - 5.4-9.5 HG3 GLU 62 - HD21 ASN 60 far 3 63 5 - 6.1-9.4 Violated in 11 structures by 0.86 A. Peak 9428 from nnoeabs.peaks (2.11, 6.87, 113.68 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.32: HB3 GLU 62 + HD21 ASN 60 OK 32 88 40 92 5.4-8.0 1.8/9429=82, 4.0/9439=33 HB2 LEU 64 - HD21 ASN 60 far 0 100 0 - 6.7-9.6 Violated in 20 structures by 1.06 A. Peak 9429 from nnoeabs.peaks (2.00, 6.87, 113.68 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.56: HB2 GLU 62 + HD21 ASN 60 OK 56 94 65 91 4.5-7.1 1.8/9428=81...(4) Violated in 14 structures by 0.59 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 3.2-5.6 9425/1.7=90, 9423/3.5=68...(11) HB2 ASP 61 - HD22 ASN 60 far 0 98 0 - 6.9-9.3 Violated in 4 structures by 0.07 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 3.1-5.5 9426/1.7=96, 1.8/9430=93...(10) Violated in 0 structures by 0.00 A. Peak 9432 from nnoeabs.peaks (2.23, 7.37, 113.68 ppm; 5.87 A): 1 out of 3 assignments used, quality = 0.44: HB2 GLU 63 + HD22 ASN 60 OK 44 68 65 100 5.2-7.8 9427/1.7=93, 3.0/9430=86...(10) HG2 GLU 62 - HD22 ASN 60 far 11 75 15 - 5.9-9.7 HG3 GLU 62 - HD22 ASN 60 far 0 75 0 - 7.6-9.4 Violated in 15 structures by 0.65 A. Peak 9433 from nnoeabs.peaks (4.16, 7.37, 113.68 ppm; 6.25 A): 1 out of 2 assignments used, quality = 0.97: HB2 SER 59 + HD22 ASN 60 OK 97 100 100 97 3.1-6.1 9434/1.7=89, 6969/6975=77 HA GLU 62 - HD22 ASN 60 far 0 68 0 - 7.8-9.0 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 = 0.92: HB2 SER 59 + HD21 ASN 60 OK 92 99 100 93 3.4-6.0 9433/1.7=78, 6969/6974=67 HA GLU 62 - HD21 ASN 60 far 0 79 0 - 7.0-8.8 Violated in 1 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 = 0.97: H GLU 63 + H ASN 60 OK 94 94 100 100 3.9-4.2 2772/9413=61...(17) H GLU 62 + H ASN 60 OK 59 100 60 98 4.9-5.6 9454/4.0=52, 9453/4.0=49...(15) 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 4.8-6.3 10721/3.6=85...(10) Violated in 4 structures by 0.07 A. Peak 9439 from nnoeabs.peaks (8.40, 6.87, 113.68 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.91: H GLU 63 + HD21 ASN 60 OK 70 94 75 100 3.8-6.3 9440/1.7=73...(11) H GLU 62 + HD21 ASN 60 OK 69 100 70 99 4.8-6.4 9454/3.5=68, 9453/3.5=64...(9) Violated in 6 structures by 0.18 A. Peak 9440 from nnoeabs.peaks (8.40, 7.37, 113.68 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.63: H GLU 63 + HD22 ASN 60 OK 63 98 65 99 4.9-6.4 7023/9430=61...(7) H GLU 62 - HD22 ASN 60 far 15 99 15 - 5.0-6.6 Violated in 18 structures by 0.67 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 99 100 100 99 4.4-5.7 7007/7001=95, ~10743=53...(5) HB2 LEU 64 + H ASP 61 OK 93 93 100 100 4.8-5.5 9449/3.0=92, ~9481=58...(12) 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 3.8-5.6 10938/6991=80...(15) HD2 LYS 66 - H ASP 61 far 0 61 0 - 9.2-12.3 Violated in 4 structures by 0.07 A. Peak 9444 from nnoeabs.peaks (1.48, 8.58, 119.43 ppm; 5.11 A): 1 out of 5 assignments used, quality = 0.85: HD2 LYS 82 + H ASP 61 OK 85 85 100 100 3.3-4.6 1.8/9443=82...(12) HB3 LEU 64 - H ASP 61 far 0 100 0 - 6.0-6.8 HG LEU 64 - H ASP 61 far 0 100 0 - 6.9-7.7 HG2 LYS 66 - H ASP 61 far 0 100 0 - 8.2-11.2 HG3 LYS 66 - H ASP 61 far 0 99 0 - 9.0-11.4 Violated in 0 structures by 0.00 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 2.9-4.6 1.8/9454=84...(10) HE2 LYS 66 - H GLU 62 far 0 100 0 - 6.6-9.6 HE3 LYS 66 - H GLU 62 far 0 100 0 - 6.6-9.8 HE2 LYS 68 - H GLU 62 far 0 99 0 - 8.4-12.9 HE3 LYS 68 - H GLU 62 far 0 99 0 - 8.5-13.4 Violated in 3 structures by 0.02 A. Peak 9454 from nnoeabs.peaks (3.06, 8.40, 122.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.97: HB3 ASN 60 + H GLU 62 OK 97 100 100 97 2.3-3.3 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 2.2-3.8 9423/7023=80...(11) HE3 LYS 66 - H GLU 63 far 5 100 5 - 6.4-8.7 HE2 LYS 66 - H GLU 63 far 0 100 0 - 6.7-8.6 HE2 LYS 68 - H GLU 63 far 0 99 0 - 7.8-12.5 HE3 LYS 68 - H GLU 63 far 0 99 0 - 8.2-13.0 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 2 assignments used, quality = 0.99: HA ASP 61 + H GLU 63 OK 99 100 100 100 4.2-4.8 10743/3.6=77...(10) HA ARG 81 - H GLU 63 far 0 100 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9457 from nnoeabs.peaks (0.71, 8.38, 119.08 ppm; 4.32 A): 3 out of 16 assignments used, quality = 1.00: QG1 VAL 58 + H GLU 63 OK 98 99 100 100 4.2-4.8 10720=57, 9381/7020=55...(18) QG2 VAL 58 + H GLU 63 OK 69 70 100 99 3.9-4.7 2.1/10720=54, ~10226=37...(19) QD2 LEU 27 + H TYR 4 OK 47 48 100 97 4.4-5.2 10132/4.4=51...(13) QD1 ILE 52 - H TYR 4 far 3 53 5 - 5.0-6.5 QD1 ILE 8 - H GLU 63 far 0 100 0 - 5.3-7.0 QD2 LEU 6 - H TYR 4 far 0 46 0 - 5.6-8.1 QG1 VAL 5 - H TYR 4 far 0 51 0 - 5.8-6.3 QG1 VAL 78 - H TYR 4 far 0 31 0 - 6.1-7.9 QG2 VAL 78 - H TYR 4 far 0 55 0 - 6.2-8.8 QD1 LEU 64 - H GLU 63 far 0 73 0 - 6.4-6.7 QD1 ILE 56 - H TYR 4 far 0 58 0 - 6.6-8.9 HG13 ILE 56 - H TYR 4 far 0 58 0 - 8.0-10.4 HG13 ILE 93 - H TYR 4 far 0 34 0 - 8.3-11.2 QD1 ILE 56 - H GLU 63 far 0 100 0 - 8.7-10.2 QD2 LEU 14 - H GLU 63 far 0 100 0 - 9.2-11.0 QD1 LEU 42 - H TYR 4 far 0 48 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 9458 from nnoeabs.peaks (1.49, 8.38, 119.08 ppm; 4.81 A): 3 out of 16 assignments used, quality = 0.99: HB3 LEU 64 + H GLU 63 OK 94 100 95 99 5.3-5.7 7037/4.6=68...(11) HG2 LYS 66 + H GLU 63 OK 74 100 75 99 4.7-7.7 10739/4.5=46, ~2771=44...(15) HG3 LYS 66 + H GLU 63 OK 38 100 40 94 5.5-7.5 ~2771=44, 9459/2.9=37...(11) HG13 ILE 52 - H TYR 4 poor 20 31 100 63 4.2-5.7 10208/9227=27...(7) HG LEU 2 - H TYR 4 poor 16 47 50 68 5.2-7.4 75/4.6=39, 10358/4.5=19...(7) HG3 LYS 53 - H TYR 4 poor 15 44 35 - 5.3-7.3 HD2 LYS 82 - H GLU 63 far 3 70 5 - 5.3-6.6 HG2 LYS 53 - H TYR 4 far 0 38 0 - 5.8-6.7 HD2 LYS 53 - H TYR 4 far 0 34 0 - 6.0-8.2 HG LEU 64 - H GLU 63 far 0 98 0 - 6.2-6.7 HB2 LEU 27 - H TYR 4 far 0 31 0 - 6.2-7.1 HG LEU 6 - H TYR 4 far 0 36 0 - 6.5-7.4 HG12 ILE 56 - H TYR 4 far 0 29 0 - 7.8-9.5 HG LEU 38 - H GLU 63 far 0 70 0 - 8.6-11.7 HG3 ARG 30 - H TYR 4 far 0 30 0 - 9.2-11.3 HB2 LEU 38 - H GLU 63 far 0 61 0 - 10.0-11.7 Violated in 5 structures by 0.10 A. Peak 9467 from nnoeabs.peaks (0.69, 7.72, 120.36 ppm; 3.42 A): 2 out of 15 assignments used, quality = 0.99: QG2 VAL 58 + H LEU 64 OK 98 99 100 100 2.1-2.8 9475/3.0=55, 9392=50...(24) QG1 VAL 58 + H LEU 64 OK 65 68 100 97 3.0-3.9 2.1/9392=34, 9385/3.0=28...(20) QD1 ILE 8 - H LEU 64 far 0 87 0 - 4.7-6.1 QD1 ILE 8 - H GLU 37 far 0 32 0 - 5.6-7.4 QD2 LEU 6 - H GLU 37 far 0 43 0 - 6.5-8.7 QD1 LEU 42 - H GLU 37 far 0 42 0 - 6.9-7.5 QD1 ILE 56 - H LEU 64 far 0 90 0 - 7.1-8.9 QD1 ILE 56 - H GLU 37 far 0 34 0 - 8.1-10.0 QG1 VAL 58 - H GLU 37 far 0 23 0 - 8.4-9.9 HG13 ILE 56 - H LEU 64 far 0 79 0 - 8.7-10.5 QD2 LEU 14 - H LEU 64 far 0 88 0 - 8.9-10.4 QG2 VAL 78 - H LEU 64 far 0 65 0 - 8.9-12.0 HG13 ILE 56 - H GLU 37 far 0 28 0 - 9.7-12.5 QD1 LEU 42 - H LEU 64 far 0 100 0 - 9.7-10.9 QD1 LEU 14 - H LEU 64 far 0 99 0 - 9.9-11.0 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 3 assignments used, quality = 1.00: QG2 THR 80 + H LEU 64 OK 100 100 100 100 4.2-5.2 9476/3.0=92...(10) QG2 VAL 83 - H LEU 64 far 0 95 0 - 7.8-8.6 QG1 VAL 83 - H LEU 64 far 0 77 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 9469 from nnoeabs.peaks (1.35, 7.72, 120.36 ppm; 4.60 A): 2 out of 11 assignments used, quality = 1.00: HB2 LYS 82 + H LEU 64 OK 96 98 100 99 4.0-5.4 10252/2834=58...(16) QB ALA 67 + H LEU 64 OK 93 93 100 100 4.2-4.6 2981/3.0=73...(13) HG3 LYS 40 - H GLU 37 far 0 42 0 - 6.1-7.8 HG3 LYS 68 - H LEU 64 far 0 100 0 - 6.3-8.6 HG2 LYS 39 - H GLU 37 far 0 40 0 - 6.5-8.4 HG12 ILE 8 - H GLU 37 far 0 42 0 - 7.1-8.6 QB ALA 67 - H GLU 37 far 0 36 0 - 7.7-9.3 HG12 ILE 8 - H LEU 64 far 0 100 0 - 7.8-9.4 HB2 LEU 70 - H GLU 37 far 0 39 0 - 8.3-10.1 HB2 LEU 70 - H LEU 64 far 0 98 0 - 9.6-11.7 HB3 ARG 30 - H GLU 37 far 0 38 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 9470 from nnoeabs.peaks (4.36, 7.72, 120.36 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 61 + H LEU 64 OK 100 100 100 100 3.5-3.9 9441=94, 9449/2810=55...(17) HA ARG 81 - H LEU 64 far 0 100 0 - 7.5-8.5 Violated in 0 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 = 0.95: QG2 VAL 58 + H ASP 65 OK 83 84 100 99 4.2-4.6 9475/3.6=55...(15) QG1 VAL 58 + H ASP 65 OK 73 93 80 99 4.8-5.4 9385/3.6=56, 2.1/9393=42...(15) QD1 ILE 8 - H ASP 65 far 0 99 0 - 6.0-7.5 QD1 ILE 56 - H ASP 65 far 0 100 0 - 7.1-9.6 QG2 VAL 78 - H ASP 65 far 0 92 0 - 8.8-11.8 HG13 ILE 56 - H ASP 65 far 0 98 0 - 8.9-11.6 QD1 LEU 42 - H ASP 65 far 0 98 0 - 9.2-10.8 Violated in 5 structures by 0.01 A. Peak 9490 from nnoeabs.peaks (1.36, 7.92, 118.10 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.92: QB ALA 67 + H ASP 65 OK 90 90 100 100 4.4-4.9 2.9/7058=73, 2981/3.6=66...(20) HG3 LYS 68 + H ASP 65 OK 25 99 25 100 5.1-7.4 3032/10773=52...(22) HB2 LYS 82 - H ASP 65 far 14 96 15 - 5.4-6.7 HB2 LEU 70 - H ASP 65 far 0 99 0 - 8.6-10.8 HG12 ILE 8 - H ASP 65 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9491 from nnoeabs.peaks (1.65, 7.92, 118.10 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.97: HG2 LYS 68 + H ASP 65 OK 70 100 70 100 4.0-6.6 7112/10773=62...(26) HD2 LYS 68 + H ASP 65 OK 70 100 70 100 4.3-8.0 10563/3.0=41...(29) HD3 LYS 68 + H ASP 65 OK 65 100 65 100 3.6-8.0 10242/7052=42...(29) Violated in 3 structures by 0.08 A. Peak 9492 from nnoeabs.peaks (1.88, 7.92, 118.10 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.93: HB3 LYS 66 + H ASP 65 OK 88 90 100 98 4.6-5.2 2897/7064=66...(12) HB3 LYS 68 + H ASP 65 OK 44 98 45 99 4.6-7.1 2857/3.0=50...(28) HB ILE 8 - H ASP 65 far 0 98 0 - 8.0-9.4 Violated in 16 structures by 0.11 A. Peak 9505 from nnoeabs.peaks (1.33, 7.80, 119.34 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.99: QB ALA 67 + H LYS 66 OK 99 100 100 99 4.1-4.4 2.9/7077=77...(15) HG3 LYS 68 - H LYS 66 far 5 97 5 - 4.9-8.0 HB2 LEU 70 - H LYS 66 far 0 70 0 - 6.5-8.6 HB2 LYS 82 - H LYS 66 far 0 99 0 - 7.5-9.0 HG12 ILE 8 - H LYS 66 far 0 81 0 - 8.8-10.7 HG2 LYS 39 - H LYS 66 far 0 99 0 - 9.6-13.2 Violated in 20 structures by 0.18 A. Peak 9506 from nnoeabs.peaks (0.82, 7.80, 119.34 ppm; 4.86 A): 1 out of 6 assignments used, quality = 0.69: QD1 LEU 70 + H LYS 66 OK 69 100 70 99 4.6-7.6 9517/4.8=60...(17) QD2 LEU 38 - H LYS 66 poor 20 100 20 - 5.3-7.9 QD2 LEU 70 - H LYS 66 far 10 97 10 - 5.0-7.3 QD1 LEU 38 - H LYS 66 far 3 59 5 - 5.4-7.9 QG2 ILE 8 - H LYS 66 far 0 68 0 - 6.4-7.9 QG2 VAL 32 - H LYS 66 far 0 99 0 - 9.1-10.8 Violated in 18 structures by 0.72 A. Peak 9507 from nnoeabs.peaks (0.72, 7.80, 119.34 ppm; 4.86 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 58 + H LYS 66 OK 98 100 100 98 5.0-5.7 10226/7061=59...(10) QD1 LEU 64 + H LYS 66 OK 95 96 100 100 4.9-5.7 4.9/7064=63, 4.5/7062=59...(10) QD1 ILE 8 - H LYS 66 far 14 96 15 - 5.4-7.0 QD1 ILE 56 - H LYS 66 far 0 94 0 - 6.5-9.3 QD1 LEU 42 - H LYS 66 far 0 63 0 - 7.8-9.3 QG2 VAL 78 - H LYS 66 far 0 100 0 - 8.5-11.1 HG13 ILE 56 - H LYS 66 far 0 99 0 - 8.8-10.9 QG1 VAL 78 - H LYS 66 far 0 92 0 - 9.3-10.6 Violated in 8 structures by 0.03 A. Peak 9518 from nnoeabs.peaks (0.98, 8.48, 121.56 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 80 + H ALA 67 OK 100 100 100 100 3.4-4.2 9529/7103=84...(19) Violated in 0 structures by 0.00 A. Peak 9519 from nnoeabs.peaks (0.84, 8.48, 121.56 ppm; 4.76 A): 3 out of 8 assignments used, quality = 0.98: QD1 LEU 70 + H ALA 67 OK 80 90 90 99 3.5-7.0 9506/7077=57...(23) QD1 LEU 38 + H ALA 67 OK 72 88 90 90 3.9-5.9 1659/3.0=29, ~9526=25...(21) QD2 LEU 38 + H ALA 67 OK 64 96 75 88 3.8-5.9 9526/2.9=37, 9524/3.0=24...(19) QD2 LEU 70 - H ALA 67 far 8 77 10 - 4.8-6.5 QD2 LEU 64 - H ALA 67 far 0 85 0 - 6.0-6.5 QG2 VAL 32 - H ALA 67 far 0 100 0 - 7.3-8.9 QD1 LEU 57 - H ALA 67 far 0 99 0 - 8.8-10.3 QD1 ILE 76 - H ALA 67 far 0 63 0 - 9.8-11.6 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 98 100 100 98 3.8-4.5 9385/7081=49...(16) QD1 LEU 64 + H ALA 67 OK 83 85 100 98 4.1-5.0 4.0/7081=46, 4.9/7058=38...(16) QD1 ILE 56 + H ALA 67 OK 73 99 75 99 4.5-7.1 ~10677=42, ~10680=36...(16) QD1 ILE 8 + H ALA 67 OK 62 100 85 73 3.6-5.4 10681/2.9=22, 8297=15...(11) QD1 LEU 42 - H ALA 67 far 0 81 0 - 6.0-7.5 HG13 ILE 56 - H ALA 67 far 0 100 0 - 6.2-8.6 QG2 VAL 78 - H ALA 67 far 0 100 0 - 6.6-9.1 QG1 VAL 78 - H ALA 67 far 0 79 0 - 7.2-8.7 QD2 LEU 6 - H ALA 67 far 0 77 0 - 8.4-10.8 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 4.5-5.3 9734/9518=77...(20) 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 6 assignments used, quality = 1.00: HB2 GLU 69 + H ALA 67 OK 98 100 100 98 4.9-5.8 4.0/7120=72, 3094/3.6=70...(13) HG2 GLU 69 + H ALA 67 OK 98 100 100 98 4.8-5.9 3110/7120=79...(14) HB2 LEU 64 + H ALA 67 OK 96 96 100 100 5.3-5.8 3.0/7081=84...(15) HB3 GLU 69 - H ALA 67 far 0 100 0 - 6.6-7.4 HB3 GLU 62 - H ALA 67 far 0 59 0 - 6.7-8.8 HB2 GLN 72 - H ALA 67 far 0 65 0 - 9.6-11.3 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 5.1-5.7 7066/7077=97...(12) HE2 LYS 82 - H ALA 67 far 0 73 0 - 8.1-12.0 HB3 ASP 61 - H ALA 67 far 0 84 0 - 8.8-10.5 Violated in 1 structures by 0.00 A. Peak 9529 from nnoeabs.peaks (0.98, 8.19, 116.17 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 80 + H LYS 68 OK 100 100 100 100 2.3-3.5 9705=70, 9732/2985=56...(21) Violated in 0 structures by 0.00 A. Peak 9530 from nnoeabs.peaks (0.84, 8.19, 116.17 ppm; 4.67 A): 2 out of 7 assignments used, quality = 0.63: QD1 LEU 70 + H LYS 68 OK 50 81 70 89 4.5-7.4 4.6/7116=50...(8) QD1 LEU 38 + H LYS 68 OK 26 95 50 55 4.9-6.8 1659/3.6=28...(5) QD2 LEU 38 - H LYS 68 far 9 91 10 - 5.3-7.1 QD2 LEU 70 - H LYS 68 far 7 65 10 - 5.2-7.0 QD2 LEU 64 - H LYS 68 far 5 93 5 - 5.5-6.0 QG2 VAL 32 - H LYS 68 far 0 98 0 - 8.4-9.9 QD1 LEU 57 - H LYS 68 far 0 96 0 - 8.6-10.7 Violated in 15 structures by 0.18 A. Peak 9531 from nnoeabs.peaks (0.73, 8.19, 116.17 ppm; 4.15 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 64 + H LYS 68 OK 99 99 100 100 3.4-4.0 2843/7099=61...(20) QD1 ILE 56 + H LYS 68 OK 51 87 80 73 3.9-7.0 10682/9529=32...(8) QG1 VAL 58 - H LYS 68 poor 20 99 20 - 4.7-5.7 QG2 VAL 78 - H LYS 68 far 0 99 0 - 5.2-8.1 HG13 ILE 56 - H LYS 68 far 0 95 0 - 5.3-8.8 QD1 ILE 8 - H LYS 68 far 0 90 0 - 5.4-6.7 QG1 VAL 78 - H LYS 68 far 0 97 0 - 6.2-7.5 QD2 LEU 42 - H LYS 68 far 0 68 0 - 6.3-8.1 QD1 LEU 6 - H LYS 68 far 0 59 0 - 8.0-9.5 QG1 VAL 54 - H LYS 68 far 0 77 0 - 8.6-9.6 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 5 assignments used, quality = 1.00: HG2 GLU 69 + H LYS 68 OK 95 98 100 98 4.1-5.0 3110/7115=71...(15) HB2 GLU 69 + H LYS 68 OK 94 98 100 97 4.5-5.0 4.0/7115=64...(12) HB2 LEU 64 - H LYS 68 far 0 82 0 - 5.7-6.2 HB3 GLU 69 - H LYS 68 far 0 98 0 - 6.0-6.1 HB2 GLN 72 - H LYS 68 far 0 87 0 - 7.8-9.1 Violated in 1 structures by 0.00 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 4.3-5.6 9529/7115=90...(19) 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 9 assignments used, quality = 0.80: QD1 LEU 70 + H GLU 69 OK 71 91 85 92 4.5-6.3 4.6/7137=68...(12) QD2 LEU 70 + H GLU 69 OK 32 98 35 92 4.0-6.0 3166/7137=70...(10) QD2 LEU 38 - H GLU 69 far 0 81 0 - 6.2-8.3 QD2 LEU 42 - H GLU 69 far 0 81 0 - 6.7-8.5 QD1 ILE 76 - H GLU 69 far 0 100 0 - 8.9-10.6 QD1 LEU 6 - H GLU 69 far 0 87 0 - 9.1-10.3 QG2 ILE 8 - H GLU 69 far 0 99 0 - 9.2-10.7 QG1 VAL 54 - H GLU 69 far 0 71 0 - 9.6-10.7 QG2 VAL 32 - H GLU 69 far 0 63 0 - 9.7-10.9 Violated in 15 structures by 0.09 A. Peak 9536 from nnoeabs.peaks (0.69, 7.90, 119.49 ppm; 5.62 A): 1 out of 7 assignments used, quality = 0.67: QD1 ILE 56 + H GLU 69 OK 67 96 85 82 5.3-8.1 10682/9534=37...(10) QG2 VAL 78 - H GLU 69 poor 20 79 25 - 5.8-8.3 QD1 LEU 42 - H GLU 69 far 10 100 10 - 5.8-7.0 QG1 VAL 58 - H GLU 69 far 0 81 0 - 6.6-7.9 HG13 ILE 56 - H GLU 69 far 0 90 0 - 6.9-10.5 QD1 ILE 8 - H GLU 69 far 0 95 0 - 7.1-8.4 QG2 VAL 58 - H GLU 69 far 0 95 0 - 7.4-8.2 Violated in 16 structures by 0.54 A. Peak 9537 from nnoeabs.peaks (1.50, 7.90, 119.49 ppm; 5.15 A): 1 out of 6 assignments used, quality = 0.29: HG2 LYS 66 + H GLU 69 OK 29 99 30 98 5.5-6.3 3.7/2881=80...(8) HG2 LYS 73 - H GLU 69 poor 20 99 20 - 5.8-8.4 HG LEU 64 - H GLU 69 poor 18 92 20 - 5.8-6.8 HG3 LYS 66 - H GLU 69 far 0 100 0 - 6.6-7.2 HB3 LEU 64 - H GLU 69 far 0 99 0 - 7.7-8.5 HG12 ILE 56 - H GLU 69 far 0 75 0 - 8.3-10.2 Violated in 20 structures by 0.90 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 96 100 100 4.9-6.2 3.0/7118=86...(13) HG3 MET 74 - H GLU 69 far 0 70 0 - 8.4-10.9 Violated in 3 structures by 0.04 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 97 98 100 100 4.5-5.4 9544/3142=76...(9) QD1 ILE 56 + H LEU 70 OK 54 100 70 78 5.1-7.5 9536/7137=56...(8) QG2 VAL 78 - H LEU 70 far 0 92 0 - 6.0-7.5 QD1 ILE 8 - H LEU 70 far 0 99 0 - 6.9-8.2 HG13 ILE 56 - H LEU 70 far 0 98 0 - 6.9-9.8 QG1 VAL 58 - H LEU 70 far 0 93 0 - 7.4-8.4 QG2 VAL 58 - H LEU 70 far 0 84 0 - 8.4-9.4 QD2 LEU 6 - H LEU 70 far 0 96 0 - 9.8-11.6 Violated in 1 structures by 0.00 A. Peak 9550 from nnoeabs.peaks (0.72, 8.26, 119.60 ppm; 3.88 A): 5 out of 16 assignments used, quality = 0.99: QD1 LEU 42 + H ALA 71 OK 74 75 100 98 2.6-3.8 9543/7159=49, 10414=38...(22) QG2 VAL 78 + H ALA 71 OK 69 100 70 99 3.9-5.2 ~10210=37, ~9685=35...(19) QG1 VAL 78 + H ALA 71 OK 57 84 70 98 4.3-5.2 10290/7165=37, ~9685=35...(20) QD1 ILE 52 + H PHE 45 OK 51 54 100 94 4.2-4.7 9170/3.0=46, 9147/4.6=30...(12) QD1 ILE 56 + H ALA 71 OK 30 98 85 37 3.6-6.0 9536/10805=13...(9) HG13 ILE 56 - H ALA 71 far 0 100 0 - 5.4-8.0 QG1 VAL 78 - H PHE 45 far 0 53 0 - 6.2-8.2 QD1 LEU 42 - H PHE 45 far 0 46 0 - 6.3-6.7 QG2 VAL 78 - H PHE 45 far 0 71 0 - 6.4-9.1 QD1 ILE 8 - H ALA 71 far 0 99 0 - 6.6-8.1 QD2 LEU 6 - H PHE 45 far 0 43 0 - 6.7-8.0 QD1 LEU 64 - H ALA 71 far 0 90 0 - 6.8-7.7 QG1 VAL 58 - H ALA 71 far 0 100 0 - 7.4-8.4 QD1 ILE 56 - H PHE 45 far 0 67 0 - 7.8-9.6 QD2 LEU 6 - H ALA 71 far 0 71 0 - 8.7-10.2 HG13 ILE 56 - H PHE 45 far 0 70 0 - 9.8-11.3 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 98 99 100 99 3.3-3.9 9559/7173=53, 3087=48...(14) HA LEU 70 + H GLN 72 OK 88 95 100 93 4.0-4.6 3.6/7166=57...(9) HA GLU 75 - H GLN 72 far 0 100 0 - 5.8-6.6 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 3 assignments used, quality = 0.90: HB2 LYS 73 + H GLN 72 OK 90 96 100 94 4.3-4.8 4.1/7196=62, 2.9/9556=54...(6) HB3 MET 74 - H GLN 72 far 9 91 10 - 4.9-7.3 HB3 LYS 73 - H GLN 72 far 0 96 0 - 5.8-6.1 Violated in 20 structures by 0.29 A. Peak 9556 from nnoeabs.peaks (1.63, 7.91, 115.96 ppm; 4.67 A): 1 out of 12 assignments used, quality = 0.60: HG3 LYS 73 + H GLN 72 OK 60 68 90 99 4.1-5.8 2.9/9555=74...(9) HB ILE 76 - H GLN 72 far 15 99 15 - 5.2-6.8 HD2 LYS 68 - H GLN 72 far 9 93 10 - 4.4-8.4 HD3 LYS 68 - H GLN 72 far 0 94 0 - 5.7-8.4 HD3 LYS 73 - H GLN 72 far 0 73 0 - 5.8-7.3 HD2 LYS 73 - H GLN 72 far 0 70 0 - 5.9-7.4 HG2 LYS 68 - H GLN 72 far 0 99 0 - 6.2-7.2 HD2 LYS 39 - H GLN 72 far 0 91 0 - 7.3-10.6 HD3 LYS 39 - H GLN 72 far 0 99 0 - 8.4-10.9 HD2 LYS 66 - H GLN 72 far 0 73 0 - 9.5-12.2 HB2 ARG 79 - H GLN 72 far 0 71 0 - 9.6-12.4 HB3 ARG 79 - H GLN 72 far 0 91 0 - 9.7-12.0 Violated in 15 structures by 0.30 A. Peak 9557 from nnoeabs.peaks (1.84, 7.91, 115.96 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.36: HB2 LYS 68 + H GLN 72 OK 36 100 45 81 4.9-6.3 3.0/2996=36, ~10791=29...(9) HB3 LYS 68 - H GLN 72 far 4 82 5 - 5.0-6.8 HB2 LEU 42 - H GLN 72 far 0 63 0 - 7.7-8.9 HB3 LYS 39 - H GLN 72 far 0 94 0 - 9.1-11.1 HB3 LYS 66 - H GLN 72 far 0 95 0 - 9.2-10.0 HG2 ARG 46 - H GLN 72 far 0 93 0 - 9.4-12.5 Violated in 20 structures by 0.97 A. Peak 9558 from nnoeabs.peaks (0.72, 7.91, 115.96 ppm; 4.27 A): 3 out of 8 assignments used, quality = 0.88: QG2 VAL 78 + H GLN 72 OK 63 100 70 90 4.3-6.0 10292/7170=35...(10) QG1 VAL 78 + H GLN 72 OK 45 81 65 86 4.2-6.1 10290/7170=37...(10) QD1 LEU 42 + H GLN 72 OK 43 79 75 73 4.5-5.7 10414/7166=38...(6) QD1 ILE 56 - H GLN 72 far 15 99 15 - 4.8-7.8 HG13 ILE 56 - H GLN 72 far 0 100 0 - 7.4-10.0 QD1 LEU 64 - H GLN 72 far 0 87 0 - 7.5-8.2 QD1 ILE 8 - H GLN 72 far 0 99 0 - 8.7-10.1 QG1 VAL 58 - H GLN 72 far 0 100 0 - 9.2-10.2 Violated in 5 structures by 0.02 A. Peak 9570 from nnoeabs.peaks (4.00, 6.85, 111.53 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.70: HA GLU 69 + HE21 GLN 72 OK 70 100 70 100 4.1-6.9 9571/1.7=90, 9559/4.4=73...(8) HA GLU 75 - HE21 GLN 72 far 0 100 0 - 6.5-8.9 HA LEU 70 - HE21 GLN 72 far 0 94 0 - 7.8-10.3 Violated in 13 structures by 0.46 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 2.7-5.4 9570/1.7=70, 10803=67...(12) HA GLU 75 - HE22 GLN 72 far 0 100 0 - 7.0-8.7 HA LEU 70 - HE22 GLN 72 far 0 94 0 - 7.1-9.1 Violated in 5 structures by 0.07 A. Peak 9572 from nnoeabs.peaks (2.92, 7.44, 111.53 ppm; 5.75 A): 2 out of 4 assignments used, quality = 0.97: HE2 LYS 68 + HE22 GLN 72 OK 82 100 85 97 2.8-8.9 ~9574=59, 9573/1.7=37...(11) HE3 LYS 68 + HE22 GLN 72 OK 82 99 85 97 3.2-9.2 ~9574=59, 9573/1.7=37...(12) HE3 LYS 73 - HE22 GLN 72 far 0 79 0 - 7.5-11.8 HE2 LYS 73 - HE22 GLN 72 far 0 70 0 - 8.8-11.8 Violated in 4 structures by 0.18 A. Peak 9573 from nnoeabs.peaks (2.90, 6.85, 111.53 ppm; 6.01 A): 2 out of 2 assignments used, quality = 0.89: HE3 LYS 68 + HE21 GLN 72 OK 67 100 70 96 3.4-10.6 3.0/9574=81, 9572/1.7=42...(7) HE2 LYS 68 + HE21 GLN 72 OK 67 100 70 96 4.2-10.3 3.0/9574=81, 9572/1.7=43...(6) Violated in 4 structures by 0.32 A. Peak 9574 from nnoeabs.peaks (1.65, 6.85, 111.53 ppm; 5.45 A): 1 out of 7 assignments used, quality = 0.29: HD2 LYS 68 + HE21 GLN 72 OK 29 100 30 98 4.5-9.3 ~9563=34, 9575/1.7=33...(17) HG2 LYS 68 - HE21 GLN 72 far 15 100 15 - 3.7-9.5 HD3 LYS 68 - HE21 GLN 72 far 15 100 15 - 5.6-8.6 HB ILE 76 - HE21 GLN 72 far 0 100 0 - 8.1-11.7 HD2 LYS 73 - HE21 GLN 72 far 0 90 0 - 8.2-11.3 HD3 LYS 73 - HE21 GLN 72 far 0 92 0 - 8.8-11.5 HB3 ARG 79 - HE21 GLN 72 far 0 99 0 - 9.4-14.8 Violated in 16 structures by 1.66 A. Peak 9575 from nnoeabs.peaks (1.65, 7.44, 111.53 ppm; 5.15 A): 3 out of 7 assignments used, quality = 0.86: HD2 LYS 68 + HE22 GLN 72 OK 54 100 55 99 3.6-7.8 9574/1.7=74, ~9563=30...(15) HD3 LYS 68 + HE22 GLN 72 OK 49 100 50 98 4.9-7.6 ~9574=58, ~9563=30...(16) HG2 LYS 68 + HE22 GLN 72 OK 39 99 40 99 3.3-8.0 10794/9571=51, ~9574=48...(16) HB ILE 76 - HE22 GLN 72 far 0 100 0 - 7.0-11.0 HD2 LYS 73 - HE22 GLN 72 far 0 96 0 - 7.6-10.6 HD3 LYS 73 - HE22 GLN 72 far 0 97 0 - 8.1-10.6 HB3 ARG 79 - HE22 GLN 72 far 0 100 0 - 8.7-13.8 Violated in 8 structures by 0.20 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 5.0-5.7 3.0/10810=82...(9) HG2 LYS 39 - H LYS 73 far 0 96 0 - 6.7-8.8 HG3 LYS 68 - H LYS 73 far 0 99 0 - 6.8-9.3 QB ALA 67 - H LYS 73 far 0 88 0 - 7.6-8.3 Violated in 7 structures by 0.07 A. Peak 9577 from nnoeabs.peaks (0.80, 7.84, 119.03 ppm; 4.70 A): 1 out of 6 assignments used, quality = 0.99: QD2 LEU 70 + H LYS 73 OK 99 100 100 99 4.6-5.5 3167/10810=64...(11) QD1 LEU 70 - H LYS 73 far 10 99 10 - 5.2-6.7 QD2 LEU 42 - H LYS 73 far 6 61 10 - 5.4-7.3 QD1 ILE 76 - H LYS 73 far 0 100 0 - 5.9-7.0 QD2 LEU 38 - H LYS 73 far 0 94 0 - 8.1-10.4 QD1 LEU 6 - H LYS 73 far 0 70 0 - 9.4-10.7 Violated in 16 structures by 0.35 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 3.2-3.7 10810=67, 3167/9577=40...(17) HA GLU 69 + H LYS 73 OK 78 88 100 88 3.6-4.2 9559/7199=46...(8) HA GLU 75 - H LYS 73 far 0 95 0 - 5.5-6.0 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 2 assignments used, quality = 1.00: HA ALA 71 + H LYS 73 OK 100 100 100 100 4.2-4.9 3.6/7196=82...(10) HA ALA 67 - H LYS 73 far 0 100 0 - 7.2-8.2 Violated in 4 structures by 0.03 A. Peak 9583 from nnoeabs.peaks (7.55, 7.75, 115.79 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.98: H ILE 76 + H MET 74 OK 98 98 100 100 3.4-4.2 9643=74, 7247/7231=71...(16) 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 = 0.97: QB ALA 71 + H MET 74 OK 96 96 100 99 4.5-4.8 2.1/10858=82...(15) HG13 ILE 76 + H MET 74 OK 29 99 30 99 4.0-6.3 1.8/9591=58...(13) HG3 LYS 39 - H MET 74 far 0 96 0 - 5.6-8.9 HB2 LEU 38 - H MET 74 far 0 77 0 - 8.7-11.6 HG LEU 38 - H MET 74 far 0 70 0 - 8.8-11.7 Violated in 1 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 3.8-6.2 7256/9583=71...(17) Violated in 5 structures by 0.12 A. Peak 9592 from nnoeabs.peaks (0.81, 7.75, 115.79 ppm; 4.77 A): 2 out of 5 assignments used, quality = 1.00: QD1 ILE 76 + H MET 74 OK 99 99 100 100 4.0-5.0 2.1/9591=59...(16) QD2 LEU 70 + H MET 74 OK 76 100 80 95 5.0-6.1 9577/7213=65...(10) QD1 LEU 70 - H MET 74 far 10 100 10 - 5.0-7.2 QD2 LEU 38 - H MET 74 far 0 98 0 - 8.4-10.1 QG2 ILE 52 - H MET 74 far 0 73 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 9593 from nnoeabs.peaks (0.71, 7.75, 115.79 ppm; 5.03 A): 2 out of 6 assignments used, quality = 0.93: QD1 LEU 42 + H MET 74 OK 91 93 100 98 3.9-5.4 9615/7228=67...(11) QG1 VAL 78 + H MET 74 OK 23 61 55 69 4.9-7.6 9647/9583=37...(6) QG2 VAL 78 - H MET 74 poor 17 97 25 69 5.4-8.2 9558/10826=24...(6) QD1 ILE 56 - H MET 74 far 0 100 0 - 7.0-9.2 QD1 ILE 52 - H MET 74 far 0 98 0 - 9.8-11.5 HG13 ILE 56 - H MET 74 far 0 100 0 - 9.9-11.8 Violated in 1 structures by 0.01 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 99 100 100 99 3.1-3.8 10833/2.9=71...(11) HA LYS 73 + H GLU 75 OK 96 99 100 98 3.5-3.9 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 3.4-4.2 9583=97, 7231/7247=76...(16) H VAL 78 + H ILE 76 OK 23 100 25 93 5.3-6.2 10898/7255=52...(6) H SER 49 - H ILE 76 far 0 87 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 9644 from nnoeabs.peaks (1.97, 7.56, 115.96 ppm; 4.43 A): 1 out of 6 assignments used, quality = 1.00: HB3 MET 74 + H ILE 76 OK 100 100 100 100 2.5-5.0 1.8/9645=76, 4.3/7247=60...(13) QE MET 74 - H ILE 76 poor 16 65 25 - 5.2-6.3 HB2 ARG 46 - H ILE 76 far 0 99 0 - 5.4-8.9 HB3 ARG 46 - H ILE 76 far 0 100 0 - 6.0-9.1 HB2 LYS 73 - H ILE 76 far 0 99 0 - 6.4-7.5 HB3 LYS 73 - H ILE 76 far 0 99 0 - 6.8-7.8 Violated in 2 structures by 0.03 A. Peak 9645 from nnoeabs.peaks (2.06, 7.56, 115.96 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: HB2 MET 74 + H ILE 76 OK 100 100 100 100 2.5-5.0 1.8/9644=80, 4.3/7247=62...(12) HB3 GLU 43 - H ILE 76 far 0 100 0 - 9.8-11.6 Violated in 4 structures by 0.08 A. Peak 9647 from nnoeabs.peaks (0.72, 7.56, 115.96 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.64: QG1 VAL 78 + H ILE 76 OK 52 81 75 86 3.7-6.8 10906/7255=54...(9) QG2 VAL 78 + H ILE 76 OK 24 100 30 81 3.8-7.1 9646/7254=26...(10) QD1 LEU 42 - H ILE 76 far 12 79 15 - 5.1-6.2 QD1 ILE 56 - H ILE 76 far 0 99 0 - 7.3-9.0 QD1 ILE 52 - H ILE 76 far 0 88 0 - 7.4-9.4 HG13 ILE 56 - H ILE 76 far 0 100 0 - 9.8-11.3 Violated in 1 structures by 0.01 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 3.5-4.9 10829=60, 9648/7254=55...(14) HB3 SER 49 - H ILE 76 far 0 91 0 - 6.9-9.9 HA LYS 68 - H ILE 76 far 0 77 0 - 7.6-9.6 HA ALA 67 - H ILE 76 far 0 94 0 - 9.8-10.7 Violated in 5 structures by 0.04 A. Peak 9650 from nnoeabs.peaks (4.15, 7.56, 115.96 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.98: HA GLN 72 + H ILE 76 OK 98 100 100 98 2.9-4.5 10833/7248=70...(11) HA LYS 73 - H ILE 76 far 0 88 0 - 5.8-6.4 Violated in 0 structures by 0.00 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 4.9-5.7 9678/7270=79...(6) Violated in 5 structures by 0.02 A. Peak 9683 from nnoeabs.peaks (1.42, 7.75, 122.84 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 71 + H VAL 78 OK 97 98 100 99 3.5-4.4 10835/7278=65...(10) HD2 LYS 53 - H VAL 78 far 0 63 0 - 5.7-9.4 HG13 ILE 76 - H VAL 78 far 0 97 0 - 6.9-7.9 HG13 ILE 52 - H VAL 78 far 0 68 0 - 7.8-9.8 Violated in 1 structures by 0.00 A. Peak 9684 from nnoeabs.peaks (1.90, 7.75, 122.84 ppm; 5.38 A): 1 out of 4 assignments used, quality = 0.97: HB VAL 54 + H VAL 78 OK 97 97 100 100 5.2-5.8 10348/3.0=93...(11) HB3 LYS 68 - H VAL 78 far 0 81 0 - 7.1-10.5 HG LEU 42 - H VAL 78 far 0 100 0 - 8.5-9.4 HB3 GLU 104 - H VAL 78 far 0 79 0 - 9.7-19.0 Violated in 14 structures by 0.17 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 3.5-4.9 2538/11117=70...(14) HG2 ARG 81 - H ARG 79 far 5 100 5 - 5.3-9.1 QD1 LEU 3 - H ARG 79 far 0 77 0 - 8.3-9.9 Violated in 1 structures by 0.02 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 2.9-4.2 9297=90, 6915/11117=71...(16) 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 14 assignments used, quality = 0.99: QD1 LEU 64 + H THR 80 OK 96 100 100 96 4.2-4.8 9724/7306=62...(7) QG2 VAL 78 + H THR 80 OK 52 88 75 78 3.1-6.2 4.3/7297=42, 8179/2.9=31...(12) QD1 ILE 56 + H THR 80 OK 35 63 60 91 3.7-6.9 5.0/11119=25, ~10293=25...(15) QG1 VAL 78 + H THR 80 OK 22 100 30 75 3.8-6.9 4.3/7297=42, ~8179=25...(10) HG3 ARG 81 - H THR 80 far 10 100 10 - 4.8-7.6 HG13 ILE 56 - H THR 80 far 0 77 0 - 5.2-8.2 QG1 VAL 58 - H THR 80 far 0 87 0 - 6.3-7.7 QG1 VAL 54 - H THR 80 far 0 95 0 - 6.4-8.0 QD2 LEU 42 - H THR 80 far 0 90 0 - 6.7-8.6 QD1 ILE 8 - H THR 80 far 0 68 0 - 7.3-9.2 QD1 LEU 6 - H THR 80 far 0 84 0 - 7.4-9.6 QG1 VAL 5 - H THR 80 far 0 94 0 - 8.0-9.0 QG2 ILE 52 - H THR 80 far 0 70 0 - 9.4-11.3 QD1 ILE 93 - H THR 80 far 0 85 0 - 10.0-11.7 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 = 0.98: QD1 LEU 55 + H THR 80 OK 91 96 95 100 3.8-5.7 9258/2.9=63, 9252/4.6=54...(15) HG2 ARG 81 + H THR 80 OK 82 100 85 96 3.2-7.6 4.9/7308=45, ~10923=37...(13) Violated in 0 structures by 0.00 A. Peak 9735 from nnoeabs.peaks (0.61, 8.76, 122.84 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 56 + H ARG 81 OK 99 99 100 100 3.7-4.9 9734/7313=76...(18) QD1 ILE 7 - H ARG 81 far 0 98 0 - 7.4-8.7 Violated in 7 structures by 0.06 A. Peak 9736 from nnoeabs.peaks (0.83, 8.76, 122.84 ppm; 3.77 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 57 + H ARG 81 OK 99 100 100 99 2.9-4.6 2642/11122=57, 9338=55...(17) QD2 LEU 57 + H ARG 81 OK 47 65 75 95 2.6-4.9 4.0/11122=45...(16) QD2 LEU 64 - H ARG 81 far 0 75 0 - 5.1-6.2 QD2 LEU 38 - H ARG 81 far 0 99 0 - 6.6-9.2 QD1 LEU 38 - H ARG 81 far 0 79 0 - 6.6-9.7 QD1 LEU 103 - H ARG 81 far 0 71 0 - 7.9-17.6 QD2 LEU 103 - H ARG 81 far 0 100 0 - 8.1-16.9 QG2 VAL 32 - H ARG 81 far 0 100 0 - 8.6-9.8 QG2 ILE 7 - H ARG 81 far 0 71 0 - 8.7-9.4 QD1 LEU 70 - H ARG 81 far 0 96 0 - 9.0-12.7 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 5.1-6.1 2.9/11122=97...(13) HB2 LEU 6 - H ARG 81 far 0 92 0 - 7.3-9.3 QB ALA 18 - H ARG 81 far 0 81 0 - 8.7-9.5 Violated in 16 structures by 0.22 A. Peak 9738 from nnoeabs.peaks (1.34, 8.76, 122.84 ppm; 5.31 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 67 + H ARG 81 OK 99 99 100 100 4.2-5.6 9732/7313=77...(14) HB2 LYS 82 + H ARG 81 OK 99 100 100 99 5.3-5.8 7332/4.7=76, 9743/3.0=70...(11) HG3 LYS 68 - H ARG 81 far 10 100 10 - 6.1-9.5 QB ALA 89 - H ARG 81 far 0 100 0 - 7.2-8.7 HG12 ILE 8 - H ARG 81 far 0 94 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 9739 from nnoeabs.peaks (1.52, 8.76, 122.84 ppm; 5.02 A): 3 out of 7 assignments used, quality = 0.88: HG12 ILE 56 + H ARG 81 OK 65 100 65 100 3.9-6.7 12206/7313=82...(11) HB3 LEU 64 + H ARG 81 OK 58 68 90 95 4.9-6.0 3.1/7318=44, 9742/3.0=33...(15) HG LEU 57 + H ARG 81 OK 22 87 25 99 5.7-6.5 4.3/11122=72...(11) HG2 ARG 79 - H ARG 81 poor 20 99 20 - 4.2-7.8 HG3 ARG 79 - H ARG 81 poor 20 99 20 - 4.7-7.9 HG LEU 6 - H ARG 81 far 0 100 0 - 8.3-10.6 HB ILE 7 - H ARG 81 far 0 100 0 - 8.7-9.5 Violated in 2 structures by 0.01 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 4.5-4.8 9372/10926=68, ~7324=53...(16) HA ARG 79 + H ARG 81 OK 60 100 65 93 5.5-6.3 7298/7308=76...(4) HA LEU 55 + H ARG 81 OK 58 59 100 97 4.7-5.7 3.6/9753=69, 4.0/9280=62...(10) 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 3.2-4.3 9298=94, 9299/7311=77...(16) H THR 84 - H ARG 81 far 0 100 0 - 9.8-10.3 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 4.1-5.0 3668/7333=73...(14) HE3 LYS 68 - H LYS 82 far 4 73 5 - 5.8-10.8 HE2 LYS 68 - H LYS 82 far 0 70 0 - 6.6-11.3 HB2 ASN 60 - H LYS 82 far 0 96 0 - 9.2-10.6 Violated in 1 structures by 0.00 A. Peak 9755 from nnoeabs.peaks (0.68, 8.72, 124.67 ppm; 4.36 A): 1 out of 8 assignments used, quality = 1.00: QG2 VAL 58 + H LYS 82 OK 100 100 100 100 3.4-4.0 10228/3.0=78, 10711=72...(18) QG1 VAL 58 - H LYS 82 far 0 59 0 - 5.3-6.0 QD1 ILE 56 - H LYS 82 far 0 84 0 - 7.3-9.2 QD1 ILE 8 - H LYS 82 far 0 81 0 - 7.4-8.8 QG2 VAL 78 - H LYS 82 far 0 57 0 - 8.0-11.4 QD2 LEU 14 - H LYS 82 far 0 82 0 - 8.4-9.4 QD1 LEU 14 - H LYS 82 far 0 100 0 - 8.4-9.7 HG13 ILE 56 - H LYS 82 far 0 71 0 - 9.0-10.5 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 4.3-4.8 9372/3.0=86...(15) H ARG 79 - H LYS 82 far 0 81 0 - 9.7-10.9 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 2.7-3.9 9395=98, 9372/7343=63...(12) H ASP 61 - H VAL 83 far 0 73 0 - 7.8-9.2 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 2.5-3.6 10721=100, 10728/7354=53...(8) 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 3.9-5.1 6945/9771=87, 9335=69...(12) Violated in 0 structures by 0.00 A. Peak 9778 from nnoeabs.peaks (7.72, 9.11, 122.38 ppm; 5.75 A): 2 out of 3 assignments used, quality = 1.00: H ASN 60 + H VAL 83 OK 100 100 100 100 4.8-6.3 3.6/10721=91, 9436=90...(10) H SER 85 + H VAL 83 OK 62 63 100 97 4.9-5.9 4.6/7358=71...(7) H LEU 64 - H VAL 83 far 0 99 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 9801 from nnoeabs.peaks (0.84, 9.11, 122.38 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.95: QD1 LEU 57 + H VAL 83 OK 95 96 100 100 3.2-5.3 2.1/9802=83...(9) QD2 LEU 64 - H VAL 83 far 14 93 15 - 5.5-6.7 QD1 LEU 38 - H VAL 83 far 0 95 0 - 8.9-12.3 QD2 LEU 38 - H VAL 83 far 0 91 0 - 9.3-11.0 Violated in 1 structures by 0.01 A. Peak 9802 from nnoeabs.peaks (0.77, 9.11, 122.38 ppm; 4.79 A): 1 out of 10 assignments used, quality = 0.28: QD2 LEU 57 + H VAL 83 OK 28 77 40 91 5.0-7.1 2.1/9801=69, 4.0/9773=49...(5) HG3 ARG 81 - H VAL 83 far 4 84 5 - 4.3-8.3 QD1 LEU 64 - H VAL 83 far 0 87 0 - 5.9-6.9 QG2 ILE 8 - H VAL 83 far 0 91 0 - 7.1-8.1 QD1 ILE 93 - H VAL 83 far 0 100 0 - 7.7-9.2 QG2 ILE 7 - H VAL 83 far 0 71 0 - 8.0-8.6 QG1 VAL 5 - H VAL 83 far 0 59 0 - 8.1-9.6 QD1 ILE 15 - H VAL 83 far 0 100 0 - 8.4-9.9 HG13 ILE 93 - H VAL 83 far 0 90 0 - 8.8-11.9 HG13 ILE 15 - H VAL 83 far 0 99 0 - 9.4-10.9 Violated in 20 structures by 1.16 A. Peak 9803 from nnoeabs.peaks (0.69, 9.11, 122.38 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.98: QG2 VAL 58 + H VAL 83 OK 98 98 100 100 2.9-3.7 10710=70, 10228/7343=59...(15) QD1 LEU 14 - H VAL 83 far 5 99 5 - 4.6-6.0 QD2 LEU 14 - H VAL 83 far 0 91 0 - 4.9-5.9 QG1 VAL 58 - H VAL 83 far 0 71 0 - 5.1-5.5 QD1 ILE 8 - H VAL 83 far 0 90 0 - 6.6-8.4 QG1 VAL 5 - H VAL 83 far 0 59 0 - 8.1-9.6 QD1 ILE 56 - H VAL 83 far 0 92 0 - 8.8-9.7 QD1 LEU 29 - H VAL 83 far 0 70 0 - 9.4-10.5 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 4 assignments used, quality = 0.99: QD1 LEU 14 + H THR 84 OK 99 99 100 100 4.9-5.7 10402/7361=80...(10) QD2 LEU 14 - H THR 84 far 0 91 0 - 6.1-6.9 QG2 VAL 58 - H THR 84 far 0 98 0 - 6.5-7.3 QG1 VAL 58 - H THR 84 far 0 71 0 - 8.7-9.2 Violated in 20 structures by 0.35 A. Peak 9831 from nnoeabs.peaks (1.80, 9.20, 113.18 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: HB2 GLU 88 + H THR 84 OK 100 100 100 100 2.9-4.3 9920=72, 10297/7366=67...(13) HB3 LYS 82 - H THR 84 far 0 61 0 - 6.0-7.2 HB3 LEU 57 - H THR 84 far 0 90 0 - 8.7-9.9 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 1 assignment used, quality = 0.96: HG3 GLU 88 + H THR 84 OK 96 96 100 100 3.2-5.4 1.8/9921=81, 3.0/9831=79...(10) Violated in 1 structures by 0.01 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 3.8-5.2 4.0/7366=92, 3.0/9834=73...(10) HA ALA 89 - H THR 84 far 5 100 5 - 6.2-7.9 HB3 SER 9 - H THR 84 far 0 94 0 - 8.9-10.8 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 1 assignment used, quality = 1.00: HA SER 85 + H THR 84 OK 100 100 100 100 4.7-5.1 3.0/7366=99, 3.0/9833=67...(6) 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 4.2-5.1 10303=82, 4.3/10297=80...(14) H ARG 91 - H SER 85 far 0 91 0 - 7.8-9.0 HE3 TRP 92 - H SER 85 far 0 94 0 - 7.9-11.9 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 2.3-3.0 9774=71, 2.1/9779=60...(15) HB3 GLU 88 + H SER 85 OK 32 82 40 99 3.4-5.0 1.8/10297=59, 10299=47...(14) HG2 GLU 88 + H SER 85 OK 27 63 45 96 3.3-5.7 3.0/10297=47...(12) HB2 PRO 86 - H SER 85 far 0 96 0 - 6.3-7.1 HB3 PRO 86 - H SER 85 far 0 100 0 - 6.4-7.3 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 2.7-5.7 1.8/10301=84...(12) HB2 GLU 17 - H SER 85 far 0 87 0 - 8.7-11.1 Violated in 1 structures by 0.03 A. Peak 9861 from nnoeabs.peaks (1.83, 7.69, 115.56 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.88: HB2 GLU 88 + H SER 85 OK 88 88 100 100 3.0-3.8 10297=83, 3.0/10301=64...(12) HB3 LEU 57 - H SER 85 far 0 99 0 - 8.1-9.8 HB2 LYS 90 - H SER 85 far 0 92 0 - 9.0-11.3 HB3 LYS 90 - H SER 85 far 0 100 0 - 9.1-11.3 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 4.4-5.7 9938=94, 7407/10303=92...(12) HG LEU 14 + H SER 85 OK 94 99 95 100 5.1-6.9 2.1/10413=98, ~8424=69...(10) HB2 LYS 82 - H SER 85 far 0 100 0 - 8.6-9.5 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 2.2-3.8 9779=90, 2.1/9774=69...(17) QG1 VAL 83 + H SER 85 OK 79 79 100 100 3.9-4.6 2.1/9779=71, 2.1/9774=69...(15) 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 3.2-4.4 10413=97, 8424/3.0=70...(17) QD2 LEU 14 + H SER 85 OK 72 91 80 100 4.6-6.2 2.1/10413=82...(12) QG2 VAL 58 - H SER 85 far 0 98 0 - 7.3-8.5 QG1 VAL 58 - H SER 85 far 0 71 0 - 8.8-10.1 QG1 VAL 5 - H SER 85 far 0 59 0 - 9.9-11.7 QD1 ILE 8 - H SER 85 far 0 90 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9897 from nnoeabs.peaks (7.43, 8.13, 115.38 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.98: H ALA 89 + H ASP 87 OK 98 98 100 100 3.9-4.8 7397/7386=81...(17) H ARG 91 - H ASP 87 far 0 71 0 - 5.8-6.7 Violated in 1 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 4.1-4.5 10954=73, 3.0/9849=72...(13) Violated in 0 structures by 0.00 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 4.7-5.3 10971/3.5=94...(14) HG LEU 14 + H ASP 87 OK 98 99 100 100 5.1-6.6 8407/3.5=89, 2.1/9900=57...(11) 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 3 assignments used, quality = 0.99: QD1 LEU 14 + H ASP 87 OK 99 99 100 100 4.2-5.4 8411/3.5=91...(17) QD2 LEU 14 + H ASP 87 OK 45 91 50 99 5.9-7.1 8412/3.5=71...(11) QD1 LEU 29 - H ASP 87 far 0 70 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9901 from nnoeabs.peaks (1.81, 8.13, 115.38 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.99: HB2 GLU 88 + H ASP 87 OK 99 100 100 99 4.7-5.5 7393/7386=85...(7) HB2 LYS 90 - H ASP 87 far 15 100 15 - 5.7-7.7 HB3 LYS 90 - H ASP 87 far 0 92 0 - 5.9-7.8 Violated in 5 structures by 0.08 A. Peak 9902 from nnoeabs.peaks (1.95, 8.13, 115.38 ppm; 5.86 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLU 88 + H ASP 87 OK 95 100 95 100 3.6-7.3 3893/7386=87...(9) HB2 GLU 17 + H ASP 87 OK 71 100 95 75 5.2-7.1 9894/3.5=32...(7) HB3 LYS 13 - H ASP 87 far 0 71 0 - 7.5-9.3 HB2 LYS 13 - H ASP 87 far 0 75 0 - 7.8-10.0 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 = 0.93: HA GLU 88 + H ASP 87 OK 85 85 100 100 5.0-5.4 3.0/7386=93, 3.0/9901=69...(10) HA LEU 14 + H ASP 87 OK 55 100 55 99 5.6-6.7 8422/3.5=76...(14) HA LYS 90 - H ASP 87 far 0 96 0 - 7.3-8.0 Violated in 4 structures by 0.01 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 4.4-4.8 9813/7393=65...(14) QG2 VAL 83 + H GLU 88 OK 81 81 100 99 4.4-5.3 9780/7397=55...(14) 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 4.8-6.0 9831/7393=76...(10) Violated in 18 structures by 0.31 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 3.2-3.7 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 4.2-5.0 3.6/7397=82...(10) Violated in 4 structures by 0.04 A. Peak 9925 from nnoeabs.peaks (0.70, 7.42, 118.87 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.96: QD1 LEU 14 + H ALA 89 OK 88 93 95 100 3.6-5.5 8402=71, 10402/9780=54...(18) QD2 LEU 14 + H ALA 89 OK 64 98 65 100 4.4-5.7 2.1/8402=64...(19) QG1 VAL 5 - H ALA 89 far 0 77 0 - 7.3-8.4 QG2 VAL 58 - H ALA 89 far 0 91 0 - 8.6-9.4 QG1 VAL 58 - H ALA 89 far 0 87 0 - 9.1-10.2 Violated in 4 structures by 0.04 A. Peak 9926 from nnoeabs.peaks (0.82, 7.42, 118.87 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.69: QD1 LEU 57 + H ALA 89 OK 69 99 70 100 3.9-6.4 10698/3.0=59...(19) QD2 LEU 57 - H ALA 89 far 0 91 0 - 6.2-6.9 QG2 ILE 7 - H ALA 89 far 0 94 0 - 7.8-8.7 QG2 ILE 15 - H ALA 89 far 0 100 0 - 8.9-9.9 Violated in 10 structures by 0.54 A. Peak 9927 from nnoeabs.peaks (1.00, 7.42, 118.87 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.99: QG1 VAL 83 + H ALA 89 OK 97 97 100 100 2.8-3.7 9794=66, 9810/7407=59...(27) QG2 VAL 83 + H ALA 89 OK 71 71 100 100 2.5-3.8 2.1/9794=56, 9780=45...(27) HG LEU 55 - H ALA 89 far 0 73 0 - 8.8-9.7 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 3.4-6.0 9935/3.0=85...(14) Violated in 2 structures by 0.07 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 4.6-5.9 9931/7415=88...(11) QG1 VAL 83 + H LYS 90 OK 66 68 100 98 4.6-5.7 9810/7415=56...(11) QG2 VAL 5 - H LYS 90 far 0 79 0 - 8.0-9.3 HG LEU 55 - H LYS 90 far 0 99 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 9942 from nnoeabs.peaks (0.77, 8.05, 114.83 ppm; 4.69 A): 2 out of 10 assignments used, quality = 1.00: QD1 ILE 93 + H LYS 90 OK 100 100 100 100 3.6-4.9 9932/7415=89...(19) HG13 ILE 93 + H LYS 90 OK 27 81 35 96 4.5-7.3 ~10025=48, 4.6/10977=41...(11) QG2 ILE 93 - H LYS 90 far 0 91 0 - 6.2-7.2 QD2 LEU 57 - H LYS 90 far 0 87 0 - 6.3-7.4 QG2 ILE 7 - H LYS 90 far 0 82 0 - 7.5-9.3 QD1 ILE 15 - H LYS 90 far 0 98 0 - 8.0-10.8 QG2 ILE 15 - H LYS 90 far 0 61 0 - 8.4-9.8 HG13 ILE 15 - H LYS 90 far 0 95 0 - 9.0-10.9 QD1 LEU 27 - H LYS 90 far 0 100 0 - 9.1-10.2 HG3 ARG 81 - H LYS 90 far 0 73 0 - 9.6-12.1 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 = 0.94: QD2 LEU 14 + H LYS 90 OK 77 98 80 98 4.8-7.1 8412/9950=58...(13) QD1 LEU 14 + H LYS 90 OK 74 93 80 99 4.8-7.5 8402/7408=71...(12) QG1 VAL 5 - H LYS 90 far 0 77 0 - 6.9-8.0 Violated in 6 structures by 0.09 A. Peak 9944 from nnoeabs.peaks (2.09, 8.05, 114.83 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.77: HB3 PRO 86 + H LYS 90 OK 77 98 80 98 4.6-6.6 2.3/9950=60...(16) HB2 PRO 86 - H LYS 90 far 4 82 5 - 4.8-6.5 HB3 GLU 88 - H LYS 90 far 0 96 0 - 5.3-6.0 QE MET 21 - H LYS 90 far 0 100 0 - 5.4-7.3 HB VAL 83 - H LYS 90 far 0 92 0 - 5.9-6.7 HB2 GLU 16 - H LYS 90 far 0 95 0 - 9.6-12.0 Violated in 20 structures by 0.73 A. Peak 9945 from nnoeabs.peaks (2.51, 8.05, 114.83 ppm; 5.64 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASP 87 + H LYS 90 OK 98 99 100 100 5.0-6.1 3.0/9951=94...(9) HB2 ASP 87 + H LYS 90 OK 98 99 100 100 5.4-6.1 3.0/9951=94...(8) HD2 ARG 91 - H LYS 90 far 9 90 10 - 5.8-7.5 HG3 GLU 95 - H LYS 90 far 0 95 0 - 9.0-10.8 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 3.8-5.0 10971/7415=87...(13) Violated in 2 structures by 0.01 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 3.4-3.9 10962=98, 2.9/10963=49...(19) HB3 SER 85 - H LYS 90 far 0 85 0 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 9955 from nnoeabs.peaks (0.77, 7.47, 119.03 ppm; 5.56 A): 2 out of 7 assignments used, quality = 1.00: QD1 ILE 93 + H ARG 91 OK 100 100 100 100 4.5-5.5 9932/10991=90...(14) HG13 ILE 93 + H ARG 91 OK 41 81 60 85 4.4-7.7 4.6/7449=63, 9947/3.6=22...(6) QG2 ILE 93 - H ARG 91 far 9 91 10 - 6.3-6.9 QD2 LEU 57 - H ARG 91 far 0 87 0 - 7.1-8.2 QD1 LEU 27 - H ARG 91 far 0 100 0 - 9.1-9.7 HG3 ARG 81 - H ARG 91 far 0 73 0 - 9.3-11.8 QG2 ILE 7 - H ARG 91 far 0 82 0 - 9.4-11.1 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 = 0.99: HA ASP 87 + H ARG 91 OK 99 100 100 100 3.8-4.8 10962/7431=71, 9896=59...(12) Violated in 2 structures by 0.01 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 2 assignments used, quality = 1.00: H TRP 92 + HE1 TRP 92 OK 100 100 100 100 4.7-5.9 7466/2.6=98, 7468=86...(8) H ASP 87 - HE1 TRP 92 far 0 100 0 - 8.5-9.8 Violated in 2 structures by 0.01 A. Peak 9970 from nnoeabs.peaks (3.64, 10.29, 128.25 ppm; 5.80 A): 1 out of 3 assignments used, quality = 0.95: HA GLU 88 + HE1 TRP 92 OK 95 95 100 100 3.6-5.5 3.0/9974=91, 4.2/9973=72...(12) HA LYS 90 - HE1 TRP 92 far 0 82 0 - 8.7-9.6 HB THR 80 - HE1 TRP 92 far 0 63 0 - 9.5-13.5 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 3 assignments used, quality = 1.00: HB2 TRP 92 + HE1 TRP 92 OK 100 100 100 100 4.7-5.1 5.3=100 HD3 ARG 79 - HE1 TRP 92 far 0 91 0 - 9.8-14.5 HB2 PHE 96 - HE1 TRP 92 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9972 from nnoeabs.peaks (2.10, 10.29, 128.25 ppm; 4.57 A): 3 out of 5 assignments used, quality = 0.99: HB VAL 83 + HE1 TRP 92 OK 89 99 90 100 4.1-6.1 2.1/9998=92...(14) HB3 GLU 88 + HE1 TRP 92 OK 82 82 100 100 2.4-5.3 1.8/9974=82, 3.0/9973=58...(13) HG2 GLU 88 + HE1 TRP 92 OK 50 63 80 99 3.6-6.1 1.8/9973=71, 3.0/9974=66...(13) HG3 GLU 104 - HE1 TRP 92 far 0 100 0 - 9.5-23.4 QE MET 21 - HE1 TRP 92 far 0 100 0 - 9.9-11.4 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 = 0.60: HG3 GLU 88 + HE1 TRP 92 OK 60 100 60 100 2.5-6.7 3.0/9974=74...(13) HB2 LYS 94 - HE1 TRP 92 far 0 92 0 - 9.6-12.4 Violated in 17 structures by 0.76 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 3.9-4.9 9813/9998=67...(14) HB3 LYS 82 - HE1 TRP 92 far 0 59 0 - 6.0-10.0 HB3 LEU 57 - HE1 TRP 92 far 0 91 0 - 7.1-10.3 HB2 GLU 104 - HE1 TRP 92 far 0 100 0 - 7.2-21.8 HB2 LYS 90 - HE1 TRP 92 far 0 99 0 - 8.8-10.7 HB ILE 93 - HE1 TRP 92 far 0 100 0 - 9.2-10.3 HB3 LYS 90 - HE1 TRP 92 far 0 75 0 - 9.5-11.1 Violated in 13 structures by 0.16 A. Peak 9975 from nnoeabs.peaks (1.73, 10.29, 128.25 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.33: HD2 ARG 81 + HE1 TRP 92 OK 33 100 35 95 4.4-9.7 10925/2.8=69...(7) HB3 LYS 82 - HE1 TRP 92 far 3 59 5 - 6.0-10.0 HD3 LYS 90 - HE1 TRP 92 far 0 79 0 - 7.3-12.0 HD2 LYS 90 - HE1 TRP 92 far 0 97 0 - 8.8-10.7 HB ILE 56 - HE1 TRP 92 far 0 61 0 - 9.5-13.7 Violated in 17 structures by 1.43 A. Peak 9983 from nnoeabs.peaks (0.79, 8.14, 118.10 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.94: QD1 ILE 93 + H TRP 92 OK 90 94 100 96 3.9-4.8 4162/7472=50...(11) QD1 LEU 57 + H TRP 92 OK 41 57 85 84 4.4-5.8 9357/7464=27...(11) QD2 LEU 57 - H TRP 92 far 0 99 0 - 5.2-6.4 QG2 ILE 93 - H TRP 92 far 0 63 0 - 5.6-5.9 QD1 LEU 27 - H TRP 92 far 0 93 0 - 7.9-8.5 QG2 ILE 7 - H TRP 92 far 0 99 0 - 9.1-10.4 Violated in 3 structures by 0.01 A. Peak 9998 from nnoeabs.peaks (1.02, 10.29, 128.25 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 83 + HE1 TRP 92 OK 100 100 100 100 1.9-4.3 10295=74, 9796/2.6=66...(24) QG2 THR 80 - HE1 TRP 92 far 0 68 0 - 7.5-11.7 HB3 LEU 55 - HE1 TRP 92 far 0 98 0 - 8.8-11.6 Violated in 2 structures by 0.06 A. Peak 9999 from nnoeabs.peaks (0.81, 10.29, 128.25 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.86: QD1 LEU 57 + HE1 TRP 92 OK 80 90 90 100 3.4-6.4 9342/2.6=71...(19) QD2 LEU 57 + HE1 TRP 92 OK 29 99 30 98 5.0-8.5 ~9342=56, 9343/5.3=38...(15) QD1 ILE 93 - HE1 TRP 92 far 0 65 0 - 7.3-8.3 QD2 LEU 103 - HE1 TRP 92 far 0 91 0 - 9.1-18.0 Violated in 3 structures by 0.13 A. Peak 10000 from nnoeabs.peaks (0.42, 10.29, 128.25 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 55 + HE1 TRP 92 OK 87 99 90 98 5.4-7.9 9255/5.3=59, 9276/5.3=50...(9) HG2 ARG 81 + HE1 TRP 92 OK 50 100 50 100 3.0-9.4 3.0/9975=76...(13) Violated in 8 structures by 0.26 A. Peak 10001 from nnoeabs.peaks (0.75, 10.29, 128.25 ppm; 5.97 A): 1 out of 7 assignments used, quality = 0.88: HG3 ARG 81 + HE1 TRP 92 OK 88 98 90 100 3.9-8.2 3.0/9975=84, ~10925=54...(11) QD1 LEU 64 - HE1 TRP 92 far 0 99 0 - 7.0-11.1 QD1 ILE 93 - HE1 TRP 92 far 0 94 0 - 7.3-8.3 QG1 VAL 5 - HE1 TRP 92 far 0 85 0 - 7.7-10.0 HG13 ILE 93 - HE1 TRP 92 far 0 99 0 - 7.9-10.7 QG1 VAL 58 - HE1 TRP 92 far 0 75 0 - 8.0-11.6 QG2 ILE 93 - HE1 TRP 92 far 0 100 0 - 9.4-9.8 Violated in 2 structures by 0.20 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 3.0-4.3 9262/3.0=83...(12) QD1 LEU 3 - H ILE 93 far 0 68 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 10006 from nnoeabs.peaks (1.32, 8.36, 120.59 ppm; 5.32 A): 3 out of 6 assignments used, quality = 0.98: QB ALA 89 + H ILE 93 OK 92 92 100 100 4.4-5.3 9939=89, 10321/4162=77...(9) HG2 LYS 90 + H ILE 93 OK 58 73 90 88 5.6-6.5 4.0/3922=69...(3) HG2 LYS 94 + H ILE 93 OK 35 92 40 95 4.0-7.2 4.9/7498=67, 3.7/4180=36...(11) QB ALA 25 - H ILE 93 far 9 92 10 - 6.0-7.1 HB3 LEU 27 - H ILE 93 far 0 85 0 - 8.5-10.3 HG LEU 14 - H ILE 93 far 0 75 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 10033 from nnoeabs.peaks (7.45, 8.26, 121.69 ppm; 5.55 A): 2 out of 4 assignments used, quality = 0.98: H ARG 91 + H LYS 94 OK 97 97 100 100 4.7-5.4 10980=96, 7448/7473=83...(10) HE3 TRP 92 + H LYS 94 OK 40 85 50 93 5.6-8.4 5.9/7473=55, 4.8/7504=54...(7) H ALA 89 - H LYS 94 far 0 75 0 - 7.7-8.8 HZ2 TRP 92 - H LYS 94 far 0 68 0 - 10.0-10.9 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 3.2-6.1 1.8/8534=93, 3.4/8536=50...(15) HB3 MET 21 + H LYS 94 OK 97 98 100 100 3.1-5.9 3.0/8534=79...(14) HG3 GLU 99 - H LYS 94 far 0 84 0 - 8.1-11.1 Violated in 0 structures by 0.00 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 4.9-5.8 7542/7528=97...(11) HD2 ARG 91 - H LYS 94 far 9 59 15 - 6.4-8.4 HB3 ASP 87 - H LYS 94 far 0 81 0 - 9.5-10.7 HB2 ASP 87 - H LYS 94 far 0 81 0 - 9.7-11.4 Violated in 8 structures by 0.01 A. Peak 10038 from nnoeabs.peaks (3.11, 8.36, 118.50 ppm; 5.22 A): 2 out of 3 assignments used, quality = 1.00: HB2 PHE 96 + H GLU 95 OK 98 99 100 99 4.6-5.0 7557/7550=88...(8) HB2 TRP 92 + H GLU 95 OK 93 100 95 98 5.6-6.1 3.0/7525=86, 4105=48...(8) HD3 ARG 79 - H GLU 95 far 0 71 0 - 9.8-13.5 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 99 100 100 100 4.6-5.3 12249/3.6=76...(11) QD1 ILE 93 + H GLU 95 OK 33 98 35 96 5.4-6.5 4169/7528=67...(10) QD1 LEU 27 + H GLU 95 OK 29 98 40 74 5.8-6.4 10064/7567=34...(4) HG13 ILE 93 + H GLU 95 OK 29 98 35 84 5.7-7.2 4.0/7527=51, 3.2/4138=37...(7) QD2 LEU 57 - H GLU 95 far 0 59 0 - 7.0-8.1 QG1 VAL 5 - H GLU 95 far 0 77 0 - 7.1-8.4 QD2 LEU 27 - H GLU 95 far 0 82 0 - 7.8-8.8 HG3 ARG 81 - H GLU 95 far 0 95 0 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 10043 from nnoeabs.peaks (0.77, 8.21, 120.37 ppm; 4.55 A): 2 out of 12 assignments used, quality = 1.00: QD1 LEU 27 + H PHE 96 OK 95 100 100 95 4.5-5.4 8645/7559=60...(10) QG2 ILE 93 + H PHE 96 OK 92 93 100 99 4.1-4.8 3.2/7547=71, 4.3/7522=66...(10) HG13 ILE 93 - H PHE 96 far 13 84 15 - 5.4-6.6 QD1 ILE 93 - H PHE 96 far 5 100 5 - 4.9-6.4 HG3 ARG 81 - H GLU 104 far 0 70 0 - 5.7-16.9 QD2 LEU 57 - H PHE 96 far 0 84 0 - 6.2-7.2 HG3 ARG 81 - H PHE 96 far 0 77 0 - 6.6-10.1 QD1 LEU 64 - H GLU 104 far 0 74 0 - 8.8-18.8 QG2 ILE 52 - H GLU 104 far 0 94 0 - 9.1-16.7 QG1 VAL 78 - H GLU 104 far 0 80 0 - 9.1-16.3 QD2 LEU 57 - H GLU 104 far 0 77 0 - 9.4-16.8 QG1 VAL 54 - H PHE 96 far 0 99 0 - 9.4-10.3 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 3.4-4.7 9283=61, 9263/7558=59...(13) QD2 LEU 55 - H GLU 104 far 0 95 0 - 8.0-15.6 Violated in 8 structures by 0.09 A. Peak 10045 from nnoeabs.peaks (0.44, 8.21, 120.37 ppm; 4.85 A): 1 out of 6 assignments used, quality = 0.45: QD1 LEU 55 + H PHE 96 OK 45 100 45 100 4.4-6.5 2.1/10044=88...(11) QD1 LEU 3 - H PHE 96 far 13 84 15 - 5.6-7.6 HG2 ARG 81 - H GLU 104 far 0 94 0 - 6.0-17.7 QD1 LEU 55 - H GLU 104 far 0 96 0 - 6.3-14.0 HG2 ARG 81 - H PHE 96 far 0 99 0 - 8.0-10.3 QD1 LEU 3 - H GLU 104 far 0 77 0 - 10.0-13.3 Violated in 12 structures by 0.82 A. Peak 10060 from nnoeabs.peaks (2.48, 8.22, 111.97 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.99: HG3 GLU 98 + H SER 97 OK 99 99 100 100 3.8-5.5 7594/7579=93...(7) 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 99 5.0-5.7 7539/7567=71...(7) HG2 GLU 98 + H SER 97 OK 74 100 75 99 3.8-6.2 7593/7579=84...(5) HG2 GLU 99 + H SER 97 OK 49 99 55 90 4.3-7.5 11025/3.6=59...(5) HG2 MET 1 - H SER 97 far 0 98 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 10062 from nnoeabs.peaks (2.07, 8.22, 111.97 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.87: HB2 GLU 98 + H SER 97 OK 78 81 100 97 4.1-5.6 4.0/7579=70...(8) HB2 GLU 99 + H SER 97 OK 40 79 70 72 4.6-7.9 3.9/7580=54, 4323/3.6=28...(4) QE MET 21 - H SER 97 poor 16 84 25 75 5.3-6.8 8624/10063=39...(5) HB3 GLU 99 - H SER 97 far 3 68 5 - 4.6-7.7 HB3 GLU 98 - H SER 97 far 0 79 0 - 5.6-6.2 HG12 ILE 93 - H SER 97 far 0 68 0 - 6.5-8.1 HB2 MET 21 - H SER 97 far 0 90 0 - 7.1-9.7 Violated in 1 structures by 0.03 A. Peak 10063 from nnoeabs.peaks (1.32, 8.22, 111.97 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.97: QB ALA 25 + H SER 97 OK 97 97 100 100 3.8-4.7 10073/4356=75...(12) HG2 LYS 94 - H SER 97 far 15 97 15 - 5.4-6.1 HB3 LEU 27 - H SER 97 far 0 93 0 - 6.5-7.5 HG LEU 3 - H SER 97 far 0 84 0 - 7.1-8.5 QB ALA 89 - H SER 97 far 0 97 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10064 from nnoeabs.peaks (0.76, 8.22, 111.97 ppm; 3.73 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 27 + H SER 97 OK 97 99 100 98 3.0-3.7 8645/7573=38...(19) QG2 ILE 93 + H SER 97 OK 88 100 95 93 3.8-4.8 3.2/7565=41...(17) QD2 LEU 27 - H SER 97 far 4 81 5 - 4.6-5.8 QD1 ILE 93 - H SER 97 far 0 98 0 - 6.2-7.2 HG13 ILE 93 - H SER 97 far 0 97 0 - 6.4-7.7 QG1 VAL 5 - H SER 97 far 0 75 0 - 6.4-7.9 QD2 LEU 57 - H SER 97 far 0 61 0 - 7.8-8.5 HG3 ARG 81 - H SER 97 far 0 94 0 - 9.1-12.6 QG1 VAL 54 - H SER 97 far 0 100 0 - 9.5-10.6 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 = 0.93: QD1 LEU 3 + H SER 97 OK 75 79 95 100 3.9-5.8 10066/3.0=66, ~8090=50...(16) QD2 LEU 55 + H SER 97 OK 71 96 75 99 4.7-6.0 10050/7572=64...(12) Violated in 2 structures by 0.02 A. Peak 10084 from nnoeabs.peaks (0.47, 7.79, 120.07 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.67: QD1 LEU 3 + H GLU 99 OK 67 99 75 90 5.0-7.0 10066/7601=64...(6) QD2 LEU 55 - H GLU 99 far 0 70 0 - 6.4-8.3 QD1 LEU 55 - H GLU 99 far 0 61 0 - 7.0-9.7 Violated in 17 structures by 0.62 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 3.4-5.3 12051/2.9=83, 8075=75...(12) QD1 LEU 55 - H GLY 100 far 0 92 0 - 6.6-9.7 Violated in 2 structures by 0.02 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 3.8-5.4 2.1/10085=89...(10) 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 3.6-5.2 3.6/7629=77...(6) HA GLU 98 - H GLY 101 far 3 70 5 - 4.0-7.9 HA MET 1 - H GLY 101 far 0 100 0 - 7.5-12.8 HA GLU 104 - H GLY 101 far 0 82 0 - 7.5-11.6 Violated in 2 structures by 0.01 A. Peak 10103 from nnoeabs.peaks (2.04, 8.02, 108.03 ppm; 5.21 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 99 + H GLY 101 OK 96 100 100 96 2.3-5.6 3.0/10099=72...(10) HB2 GLU 99 + H GLY 101 OK 96 100 100 96 2.4-5.2 3.0/10099=72...(10) HB3 GLU 98 - H GLY 101 far 5 100 5 - 5.2-8.4 HB2 GLU 98 - H GLY 101 far 5 100 5 - 5.7-8.5 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 = 0.67: QD1 LEU 3 + H GLY 101 OK 67 84 80 99 4.4-6.6 10093/3.6=69...(11) QD1 LEU 55 - H GLY 101 far 0 100 0 - 6.6-10.2 HG2 ARG 81 - H GLY 101 far 0 99 0 - 9.3-15.0 Violated in 18 structures by 0.52 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 4.0-5.9 2.1/10104=97...(8) 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 2 assignments used, quality = 0.00: HB2 GLU 104 - H SER 102 lone 6 99 60 10 4.4-9.0 10307/4.0=7 HB VAL 78 - H SER 102 far 0 92 0 - 9.0-17.2 Violated in 11 structures by 0.68 A. Peak 10112 from nnoeabs.peaks (1.59, 8.06, 115.27 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.88: HG LEU 103 + H SER 102 OK 66 98 85 80 3.1-8.0 4490/7644=69, ~10114=18...(5) HB2 LEU 103 + H SER 102 OK 64 99 75 87 4.6-7.5 4.0/7644=78, ~10114=23...(5) HB2 ARG 79 - H SER 102 poor 20 100 20 - 4.1-12.5 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 1 assignment used, quality = 0.00: HG LEU 3 - H SER 102 far 0 92 0 - 8.2-11.1 Violated in 20 structures by 4.75 A. Peak 10146 from nnoeabs.peaks (1.52, 8.48, 122.32 ppm; 4.70 A): 3 out of 8 assignments used, quality = 0.99: HG3 LYS 33 + H VAL 32 OK 95 97 100 98 4.0-5.0 10145/3.0=67...(6) HB ILE 7 + H VAL 32 OK 69 100 70 98 5.2-5.8 8254/6505=72...(7) HG2 LYS 33 + H VAL 32 OK 50 77 70 92 4.9-5.9 3.9/11114=51, ~10145=49...(6) HG LEU 6 - H VAL 32 far 0 100 0 - 6.7-7.9 HG3 ARG 30 - H VAL 32 far 0 98 0 - 7.0-8.4 HG12 ILE 56 - H VAL 32 far 0 98 0 - 7.7-11.5 HB2 LEU 14 - H VAL 32 far 0 100 0 - 9.1-11.4 HG LEU 57 - H VAL 32 far 0 95 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 10147 from nnoeabs.peaks (4.62, 8.48, 122.32 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.99: HA ILE 8 + H VAL 32 OK 99 99 100 99 2.9-3.4 6102/8346=63, 11115=49...(14) HB THR 34 - H VAL 32 far 0 85 0 - 9.6-10.0 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 4.5-4.9 3.0/6530=96, 1523/8768=71 Violated in 1 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 = 0.98: HA ARG 46 + H GLU 48 OK 97 100 100 98 3.8-4.8 3.6/6780=75...(9) HB2 SER 49 + H GLU 48 OK 25 99 25 99 5.2-6.3 3.9/6795=66...(12) Violated in 3 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 4.4-4.9 9077=90, 2.9/6795=88...(18) Violated in 6 structures by 0.04 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 98 3.2-4.0 6760/6780=52...(12) 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 3.3-4.3 10700/7031=64...(17) HB3 ASP 65 + H LEU 64 OK 67 71 95 98 4.8-5.7 4.0/7047=74, 4.6/7062=55...(11) HB3 TYR 41 - H GLU 37 far 0 27 0 - 6.9-9.7 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 4.2-5.6 7055/7047=90...(14) HB3 ASP 61 + H LEU 64 OK 39 99 40 98 5.3-6.1 3.0/9470=83...(12) HE2 LYS 82 + H LEU 64 OK 32 96 35 95 3.7-7.5 9769/9470=49...(12) Violated in 1 structures by 0.00 A. Peak 10294 from nnoeabs.peaks (7.07, 9.20, 113.18 ppm; 5.34 A): 0 out of 1 assignment used, quality = 0.00: HZ3 TRP 92 - H THR 84 far 10 100 10 - 6.0-12.5 Violated in 20 structures by 5.91 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 4.2-5.1 10297/7402=58...(14) H MET 21 - H ALA 89 far 0 99 0 - 9.0-10.2 Violated in 14 structures by 0.24 A. Peak 10304 from nnoeabs.peaks (8.13, 7.42, 118.87 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: H ASP 87 + H ALA 89 OK 100 100 100 100 3.9-4.8 7386/7397=77, 9897=77...(17) H TRP 92 + H ALA 89 OK 99 100 100 99 4.6-4.9 7453/7408=73, 7467=59...(11) 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 6.1-6.4 7274/4.6=88, 8181/4.3=65...(4) HA HIS 105 - H ARG 79 far 0 90 0 - 9.5-17.5 Violated in 20 structures by 0.63 A. Peak 10371 from nnoeabs.peaks (1.05, 9.31, 126.92 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.94: HB3 LEU 55 + H LEU 6 OK 94 94 100 100 3.6-5.1 8189/6059=70...(11) HB3 ARG 81 - H LEU 6 far 0 98 0 - 7.7-10.2 QG1 VAL 83 - H LEU 6 far 0 68 0 - 8.0-8.9 Violated in 3 structures by 0.03 A. Peak 10385 from nnoeabs.peaks (4.62, 8.64, 122.61 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.79: HA ASP 11 + H ASN 10 OK 79 88 100 90 4.5-4.9 8353/6119=44...(10) HA ILE 8 - H ASN 10 far 0 99 0 - 6.2-6.4 HA ASP 11 - H ALA 18 far 0 69 0 - 9.9-10.5 Violated in 4 structures by 0.02 A. Peak 10387 from nnoeabs.peaks (4.42, 8.67, 122.72 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.98: HA SER 9 + H ASP 11 OK 98 100 100 98 3.7-4.2 3.0/10388=53...(11) HA MET 21 - H ALA 18 far 0 59 0 - 7.1-8.0 Violated in 16 structures by 0.14 A. Peak 10388 from nnoeabs.peaks (3.93, 8.67, 122.72 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: HB3 SER 9 + H ASP 11 OK 99 100 100 99 2.3-4.3 2.8/8372=73...(16) HA ALA 89 - H ALA 18 far 0 43 0 - 6.7-7.7 HB3 SER 9 - H ALA 18 far 0 64 0 - 7.9-9.1 Violated in 2 structures by 0.00 A. Peak 10389 from nnoeabs.peaks (0.77, 8.67, 122.72 ppm; 3.81 A): 2 out of 12 assignments used, quality = 0.99: QD1 ILE 15 + H ASP 11 OK 97 99 100 98 3.0-3.7 8356/3.6=50...(18) QD1 ILE 93 + H ALA 18 OK 57 64 90 99 4.1-5.2 10020/2.9=70...(15) HG13 ILE 15 - H ASP 11 far 15 97 15 - 4.6-6.4 QG2 ILE 7 - H ALA 18 far 0 42 0 - 5.0-5.6 QD1 ILE 15 - H ALA 18 far 0 62 0 - 5.5-6.5 HG13 ILE 15 - H ALA 18 far 0 59 0 - 5.8-6.2 HG13 ILE 93 - H ALA 18 far 0 48 0 - 5.9-8.2 QG2 ILE 7 - H ASP 11 far 0 77 0 - 5.9-6.7 QG2 ILE 93 - H ALA 18 far 0 55 0 - 6.4-7.6 QG2 ILE 8 - H ASP 11 far 0 94 0 - 6.4-6.9 QD2 LEU 57 - H ALA 18 far 0 46 0 - 6.7-9.0 QD1 LEU 27 - H ALA 18 far 0 64 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 10390 from nnoeabs.peaks (1.71, 8.67, 122.72 ppm; 4.70 A): 1 out of 23 assignments used, quality = 0.34: HB ILE 15 + H ALA 18 OK 34 52 65 98 5.4-5.7 3.0/642=65, 6233/6242=47...(12) HD3 LYS 20 - H ALA 18 poor 17 37 45 - 4.5-7.9 HD2 LYS 20 - H ALA 18 poor 16 41 40 - 4.6-7.7 HD2 LYS 12 - H ASP 11 far 10 99 10 - 4.9-8.7 HD3 LYS 12 - H ASP 11 far 10 99 10 - 5.3-8.6 HD3 LYS 90 - H ALA 18 far 9 60 15 - 3.8-8.6 HG3 LYS 20 - H ALA 18 poor 7 37 20 - 4.9-7.9 HB ILE 15 - H ASP 11 far 5 91 5 - 5.6-6.4 HD2 LYS 90 - H ALA 18 far 4 41 10 - 4.4-8.0 HG12 ILE 15 - H ASP 11 far 0 96 0 - 5.6-6.4 HG12 ILE 15 - H ALA 18 far 0 58 0 - 6.4-7.3 HD3 LYS 13 - H ASP 11 far 0 100 0 - 6.6-9.8 HD2 LYS 13 - H ALA 18 far 0 62 0 - 6.6-10.4 HG2 PRO 86 - H ALA 18 far 0 57 0 - 7.1-8.7 HD2 LYS 13 - H ASP 11 far 0 99 0 - 7.3-9.6 HD3 LYS 13 - H ALA 18 far 0 63 0 - 7.6-10.7 HD2 LYS 33 - H ASP 11 far 0 96 0 - 8.2-11.9 HD3 LYS 12 - H ALA 18 far 0 62 0 - 8.3-11.8 HD2 LYS 12 - H ALA 18 far 0 62 0 - 8.5-12.0 HG2 PRO 86 - H ASP 11 far 0 96 0 - 8.8-10.8 HD3 LYS 33 - H ASP 11 far 0 96 0 - 8.8-11.4 HB3 ARG 91 - H ALA 18 far 0 47 0 - 9.3-11.7 HD3 LYS 24 - H ALA 18 far 0 60 0 - 9.5-13.2 Violated in 20 structures by 0.89 A. Peak 10397 from nnoeabs.peaks (0.79, 7.55, 122.27 ppm; 4.96 A): 3 out of 8 assignments used, quality = 0.98: QG2 ILE 15 + H LEU 14 OK 84 93 90 100 5.6-5.9 2.1/6193=94, 4.0/6209=78...(8) QD1 ILE 15 + H LEU 14 OK 75 75 100 100 3.4-4.4 3.2/6193=80, 5.0/6209=63...(14) HG13 ILE 15 + H LEU 14 OK 52 65 80 100 4.6-6.3 2.9/6193=84, 4.6/6209=68...(13) QG2 ILE 7 - H LEU 14 far 0 99 0 - 6.4-6.8 QD1 ILE 93 - H LEU 14 far 0 91 0 - 8.5-9.7 QD1 LEU 57 - H LEU 14 far 0 63 0 - 8.8-11.1 QG2 ILE 8 - H LEU 14 far 0 100 0 - 9.4-10.0 QD2 LEU 57 - H LEU 14 far 0 100 0 - 9.7-11.2 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 4.5-4.9 6281/6264=86...(11) H ASP 77 - H ARG 46 far 0 62 0 - 6.8-8.3 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 4 assignments used, quality = 0.99: HA LYS 13 + H GLU 17 OK 94 100 100 94 3.8-4.6 493/6250=66, 6226/4.6=46...(8) HA LYS 13 + H ILE 15 OK 84 93 100 90 4.2-4.7 3.6/6209=56, 6226/4.6=46...(6) HB2 SER 59 - H ILE 15 far 0 93 0 - 8.2-10.7 HB3 SER 85 - H GLU 17 far 0 68 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 10441 from nnoeabs.peaks (1.57, 7.68, 118.10 ppm; 5.13 A): 3 out of 6 assignments used, quality = 0.86: HG2 LYS 24 + H MET 21 OK 67 93 75 96 5.3-6.9 8594/3.0=48, ~11063=47...(13) HG3 LYS 90 + H MET 21 OK 36 95 40 95 4.4-7.4 1.8/8561=79, 4.0/8550=54...(10) HG2 ARG 19 + H MET 21 OK 32 94 35 96 4.7-6.9 4.9/6315=69, 808/6292=56...(7) HB3 LEU 29 - H MET 21 far 0 79 0 - 6.3-7.3 HD3 LYS 94 - H MET 21 far 0 75 0 - 7.8-10.3 HG LEU 27 - H MET 21 far 0 75 0 - 8.8-9.7 Violated in 5 structures by 0.02 A. Peak 10442 from nnoeabs.peaks (0.65, 7.68, 118.10 ppm; 5.46 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 29 + H MET 21 OK 100 100 100 100 4.4-5.5 8690/6345=78...(11) QD2 LEU 29 + H MET 21 OK 93 99 95 99 5.5-6.4 8692/6345=69...(9) QD1 ILE 7 - H MET 21 far 0 77 0 - 6.6-7.8 QD1 LEU 14 - H MET 21 far 0 82 0 - 8.8-10.6 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 5.3-5.5 3.0/6354=97...(12) HA LYS 24 - H ALA 22 far 0 59 0 - 6.8-7.3 Violated in 20 structures by 0.08 A. Peak 10457 from nnoeabs.peaks (1.95, 8.28, 117.00 ppm; 4.48 A): 2 out of 6 assignments used, quality = 0.71: HB3 LYS 24 + H GLU 23 OK 52 99 60 88 4.5-6.3 4.0/6376=66...(4) HB2 LYS 24 + H GLU 23 OK 39 99 45 87 4.6-6.2 4.0/6376=66...(4) HB3 LYS 20 - H GLU 23 poor 18 92 20 - 5.3-5.9 HB3 ARG 19 - H GLU 23 far 4 85 5 - 5.0-6.7 HB2 LYS 94 - H GLU 23 far 0 73 0 - 8.3-10.0 HB2 GLU 17 - H GLU 23 far 0 98 0 - 9.2-9.8 Violated in 17 structures by 0.30 A. Peak 10458 from nnoeabs.peaks (1.60, 8.28, 117.00 ppm; 4.71 A): 1 out of 7 assignments used, quality = 0.82: HB3 LEU 29 + H GLU 23 OK 82 100 85 96 4.5-6.0 10464/1042=59...(8) HG2 LYS 24 - H GLU 23 poor 20 99 20 - 5.4-6.7 HG2 ARG 19 - H GLU 23 poor 20 98 20 - 4.5-7.5 HG LEU 27 - H GLU 23 far 0 100 0 - 6.2-6.9 HG3 LYS 90 - H GLU 23 far 0 98 0 - 8.5-11.0 HB3 GLU 28 - H GLU 23 far 0 70 0 - 8.8-10.0 HD3 LYS 94 - H GLU 23 far 0 100 0 - 8.9-12.0 Violated in 19 structures by 0.63 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 3.5-4.2 6409/6419=80...(12) H MET 21 - H LEU 27 far 0 75 0 - 8.1-8.6 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 3.3-4.0 8162=87, 8172/6476=67...(14) H LEU 57 - H ARG 30 far 0 99 0 - 7.1-7.7 H ARG 19 - H ARG 30 far 0 63 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 10513 from nnoeabs.peaks (1.39, 8.48, 122.32 ppm; 5.20 A): 1 out of 5 assignments used, quality = 0.84: HG12 ILE 8 + H VAL 32 OK 84 84 100 100 2.9-4.2 4.1/10147=68...(14) HG12 ILE 7 - H VAL 32 poor 16 65 25 - 5.9-7.0 HB3 ARG 30 - H VAL 32 far 9 94 10 - 5.8-7.4 HG3 LYS 40 - H VAL 32 far 0 77 0 - 9.3-13.0 HG LEU 14 - H VAL 32 far 0 59 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 10514 from nnoeabs.peaks (0.71, 8.48, 122.32 ppm; 4.62 A): 2 out of 12 assignments used, quality = 1.00: QD1 ILE 8 + H VAL 32 OK 100 100 100 100 4.4-5.5 12200/6509=75...(14) QD2 LEU 6 + H VAL 32 OK 54 84 90 72 4.0-5.8 10518/6509=26...(9) QG1 VAL 58 - H VAL 32 far 0 99 0 - 6.1-7.4 QD1 ILE 56 - H VAL 32 far 0 100 0 - 6.2-9.7 QD2 LEU 14 - H VAL 32 far 0 100 0 - 6.8-7.7 QG1 VAL 5 - H VAL 32 far 0 97 0 - 6.8-8.0 HG13 ILE 56 - H VAL 32 far 0 100 0 - 7.5-10.4 QG2 VAL 58 - H VAL 32 far 0 63 0 - 8.6-9.6 QD1 LEU 42 - H VAL 32 far 0 87 0 - 8.8-10.2 QD1 LEU 14 - H VAL 32 far 0 68 0 - 8.9-10.1 QG1 VAL 78 - H VAL 32 far 0 71 0 - 9.5-12.2 QG2 VAL 78 - H VAL 32 far 0 99 0 - 9.7-12.1 Violated in 2 structures by 0.02 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 4.1-4.5 8346=93, 6102/10147=76...(16) HE ARG 30 - H VAL 32 far 0 65 0 - 6.5-10.7 H TYR 41 - H VAL 32 far 0 100 0 - 8.7-9.7 Violated in 0 structures by 0.00 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 4.7-5.4 3.0/10147=91...(13) H SER 59 - H VAL 32 far 0 93 0 - 9.1-9.9 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 = 0.95: QD1 LEU 70 + H ASP 36 OK 88 100 95 93 4.4-6.5 9549/6558=36...(11) QD2 LEU 70 + H ASP 36 OK 35 99 45 79 4.8-7.2 9541/3.6=35...(8) QD2 LEU 38 + H ASP 36 OK 34 100 35 97 4.4-6.8 4.5/8772=65, 3.1/8781=47...(14) QG2 VAL 32 - H ASP 36 far 5 96 5 - 6.1-6.8 QG2 ILE 8 - H ASP 36 far 0 77 0 - 6.6-8.3 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 5.3-5.5 3.0/6591=96, 3.6/6616=81...(10) Violated in 20 structures by 0.19 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 4.8-5.5 3.0/12057=96...(12) 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 2 assignments used, quality = 1.00: H LYS 33 + H LEU 38 OK 100 100 100 100 4.5-5.7 6517/8932=95...(11) H LEU 6 - H LEU 38 far 0 100 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 10556 from nnoeabs.peaks (8.20, 8.08, 116.94 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.98: H ASP 36 + H LYS 39 OK 98 99 100 100 4.8-5.2 3.0/8949=70...(15) H GLU 43 - H LYS 39 far 0 100 0 - 5.9-6.7 H LYS 68 - H LYS 39 far 0 99 0 - 9.5-10.9 Violated in 20 structures by 0.50 A. Peak 10590 from nnoeabs.peaks (2.02, 7.96, 115.96 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.91: QE MET 74 + H LEU 42 OK 91 91 100 100 3.6-4.0 9587=67, 12303/6685=60...(18) HB2 GLU 44 - H LEU 42 far 4 90 5 - 5.0-6.5 HB3 GLU 44 - H LEU 42 far 0 90 0 - 6.5-7.4 HB2 GLU 35 - H LEU 42 far 0 96 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 10591 from nnoeabs.peaks (2.20, 7.96, 115.96 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.93: HG2 GLU 43 + H LEU 42 OK 93 98 100 95 4.7-4.9 6695/6685=74...(8) HG3 GLU 35 - H LEU 42 far 0 100 0 - 8.0-11.6 HG2 GLU 35 - H LEU 42 far 0 100 0 - 8.6-11.1 Violated in 16 structures by 0.03 A. Peak 10610 from nnoeabs.peaks (1.69, 8.19, 117.17 ppm; 4.79 A): 0 out of 8 assignments used, quality = 0.00: HB3 LYS 40 - H GLU 43 poor 20 99 20 - 5.4-5.9 HD2 LYS 39 - H GLU 43 far 0 63 0 - 6.4-8.6 HD3 LYS 47 - H GLU 43 far 0 99 0 - 7.0-10.1 HB3 LEU 70 - H GLU 43 far 0 87 0 - 7.1-9.8 HD2 LYS 47 - H GLU 43 far 0 99 0 - 7.2-10.3 HG LEU 70 - H GLU 43 far 0 100 0 - 9.1-11.2 HD3 LYS 73 - H GLU 43 far 0 84 0 - 9.1-14.4 HD2 LYS 73 - H GLU 43 far 0 87 0 - 9.2-14.6 Violated in 20 structures by 0.55 A. Peak 10614 from nnoeabs.peaks (0.88, 8.02, 118.14 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 76 + H ARG 46 OK 100 100 100 100 3.4-4.9 9025/3.0=80...(22) HG13 ILE 7 - H GLU 16 far 0 63 0 - 6.7-8.0 QD1 LEU 2 - H ARG 46 far 0 100 0 - 7.0-10.0 QD1 LEU 38 - H ARG 46 far 0 87 0 - 8.2-11.8 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 5.3-6.3 6758/6780=88...(10) HA TYR 41 - H GLU 48 far 0 94 0 - 9.2-10.2 Violated in 11 structures by 0.26 A. Peak 10622 from nnoeabs.peaks (3.87, 7.62, 118.85 ppm; 5.43 A): 1 out of 2 assignments used, quality = 0.99: HB3 SER 49 + H GLU 48 OK 99 99 100 100 4.4-5.3 6805/6795=88...(16) HA GLU 43 - H GLU 48 far 0 96 0 - 7.2-8.3 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: HB2 GLU 48 + H GLN 50 OK 95 95 100 100 2.3-4.7 3.0/12314=79...(14) HG2 GLU 48 + H GLN 50 OK 56 94 60 99 4.8-6.1 1.8/11027=72...(9) HG3 GLU 44 - H GLN 50 far 0 61 0 - 9.4-13.5 HB2 TYR 4 - H GLN 50 far 0 87 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10659 from nnoeabs.peaks (1.53, 8.64, 131.90 ppm; 4.82 A): 3 out of 11 assignments used, quality = 1.00: HG12 ILE 56 + H LEU 55 OK 93 100 95 98 4.4-6.5 2577/4.7=50, 9317/2.9=46...(16) HG LEU 6 + H LEU 55 OK 87 99 95 93 4.2-5.9 209/9294=57...(8) HG2 ARG 79 + H LEU 55 OK 49 100 50 97 4.5-8.1 12198/2.9=41, ~12329=39...(16) HG3 ARG 79 - H LEU 55 far 10 100 10 - 5.7-8.5 HB2 LEU 3 - H LEU 55 far 9 94 10 - 5.1-7.2 HD3 LYS 53 - H LEU 55 far 0 95 0 - 7.2-8.6 HG LEU 57 - H LEU 55 far 0 70 0 - 7.3-7.9 HB3 GLU 28 - H LEU 55 far 0 81 0 - 7.5-9.0 HB ILE 7 - H LEU 55 far 0 98 0 - 7.9-8.7 HG LEU 2 - H LEU 55 far 0 92 0 - 9.1-11.5 HG3 ARG 30 - H LEU 55 far 0 100 0 - 9.3-10.8 Violated in 0 structures by 0.00 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 4.0-5.3 10204/6902=82...(8) HB2 TYR 41 - H LEU 55 far 0 82 0 - 8.2-9.8 HD3 ARG 81 - H LEU 55 far 0 91 0 - 9.6-11.8 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 2 assignments used, quality = 0.96: HB3 TYR 4 + H LEU 55 OK 96 96 100 100 4.2-5.3 1.8/10660=88...(8) HG3 GLU 99 - H LEU 55 far 0 100 0 - 8.9-13.9 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 11 assignments used, quality = 0.89: QD2 LEU 57 + H ILE 56 OK 73 79 100 93 3.4-3.9 2.1/9339=35...(12) QD1 LEU 57 + H ILE 56 OK 59 100 60 99 3.4-6.2 10211/6919=62...(10) QD2 LEU 38 - H ILE 56 far 5 100 5 - 5.4-8.4 QD1 LEU 38 - H ILE 56 far 0 65 0 - 5.6-8.6 QG2 VAL 32 - H ILE 56 far 0 100 0 - 7.1-8.3 QD2 LEU 64 - H ILE 56 far 0 61 0 - 7.9-9.0 QG2 ILE 7 - H ILE 56 far 0 84 0 - 8.2-8.7 QD1 LEU 70 - H ILE 56 far 0 99 0 - 8.3-11.8 QD2 LEU 103 - H ILE 56 far 0 100 0 - 8.3-16.6 QG2 ILE 8 - H ILE 56 far 0 61 0 - 8.5-9.4 QD1 ILE 76 - H ILE 56 far 0 87 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 10685 from nnoeabs.peaks (8.45, 8.93, 126.55 ppm; 5.59 A): 1 out of 5 assignments used, quality = 1.00: H ILE 7 + H LEU 57 OK 100 100 100 100 4.1-4.7 8237=98, 3.0/9332=97...(20) H VAL 32 - H LEU 57 far 0 84 0 - 6.5-7.7 H THR 80 - H LEU 57 far 0 61 0 - 7.7-8.8 H ALA 67 - H LEU 57 far 0 84 0 - 8.7-9.3 H VAL 54 - H LEU 57 far 0 65 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 10693 from nnoeabs.peaks (1.37, 8.93, 126.55 ppm; 4.87 A): 2 out of 8 assignments used, quality = 0.96: HG12 ILE 8 + H LEU 57 OK 91 98 95 98 4.7-5.8 6096/8292=65...(11) QB ALA 67 + H LEU 57 OK 59 61 100 96 5.1-5.7 10677/2592=50...(11) QB ALA 89 - H LEU 57 poor 20 65 30 - 5.4-7.0 HB2 LYS 82 - H LEU 57 far 0 73 0 - 7.8-9.0 QB ALA 71 - H LEU 57 far 0 65 0 - 7.8-8.9 HG LEU 14 - H LEU 57 far 0 85 0 - 8.0-9.9 HB3 ARG 30 - H LEU 57 far 0 100 0 - 8.2-9.5 HG3 LYS 68 - H LEU 57 far 0 84 0 - 9.2-12.5 Violated in 3 structures by 0.02 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 3.5-4.7 10926=100, 11122/6945=71...(20) H LYS 82 + H VAL 58 OK 75 75 100 99 4.3-4.8 3.0/9372=70, 4.5/9771=46...(15) Violated in 1 structures by 0.00 A. Peak 10722 from nnoeabs.peaks (3.92, 7.73, 117.52 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 63 + H ASN 60 OK 100 100 100 100 5.4-5.9 3.0/9413=95, 3.0/9414=92...(12) HB3 SER 9 - H ASN 60 far 10 100 10 - 6.2-8.6 HA GLU 35 - H ASN 60 far 0 70 0 - 9.9-12.3 Violated in 15 structures by 0.16 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 4.7-5.5 10228/6960=92...(7) 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 4 assignments used, quality = 0.98: HB ILE 8 + H ASN 60 OK 98 99 100 100 5.1-6.0 9400/6967=91...(6) HB3 LEU 14 - H ASN 60 far 0 100 0 - 9.5-10.9 HB VAL 32 - H ASN 60 far 0 70 0 - 9.5-10.6 HB3 LYS 68 - H ASN 60 far 0 68 0 - 9.8-12.7 Violated in 1 structures by 0.01 A. Peak 10735 from nnoeabs.peaks (7.94, 8.40, 122.15 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.95: H ASP 65 + H GLU 62 OK 95 95 100 100 4.6-5.1 7044/3.0=84...(15) 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 4.6-5.2 3.0/10741=74...(13) HB3 LYS 82 - H GLU 62 far 0 73 0 - 7.9-8.6 HB2 LYS 66 - H GLU 62 far 0 77 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 10739 from nnoeabs.peaks (1.50, 8.40, 122.15 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.24: HG2 LYS 66 + H GLU 62 OK 24 99 30 82 5.7-8.9 10778/10735=46...(8) HB3 LEU 64 - H GLU 62 far 0 98 0 - 6.2-7.0 HG3 LYS 66 - H GLU 62 far 0 99 0 - 6.5-9.0 HG LEU 64 - H GLU 62 far 0 90 0 - 6.6-7.2 Violated in 20 structures by 1.58 A. Peak 10740 from nnoeabs.peaks (0.70, 8.40, 122.15 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.96: QG2 VAL 58 + H GLU 62 OK 86 87 100 99 4.9-5.7 9448/3.6=74...(12) QG1 VAL 58 + H GLU 62 OK 71 91 80 98 6.2-6.9 10720/4.5=57...(12) QD1 ILE 8 - H GLU 62 far 0 99 0 - 7.4-9.2 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 1 assignment used, quality = 0.97: HA GLU 63 + H GLU 62 OK 97 99 100 99 5.1-5.3 3.0/10738=63...(12) Violated in 20 structures by 0.06 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 96 99 100 98 5.2-6.2 2864/3.6=86...(8) HB VAL 58 + H GLU 63 OK 73 73 100 100 4.2-4.6 2.1/10720=86...(14) HB3 ASP 77 - H TYR 4 far 0 58 0 - 8.2-10.8 HB3 TYR 41 - H TYR 4 far 0 57 0 - 8.3-10.9 Violated in 0 structures by 0.00 A. Peak 10766 from nnoeabs.peaks (1.78, 7.92, 118.10 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.99: HB3 GLU 63 + H ASP 65 OK 99 100 100 99 4.9-5.4 7032/7047=72...(9) HB2 LYS 66 - H ASP 65 far 0 99 0 - 6.0-6.5 HB3 LYS 82 - H ASP 65 far 0 98 0 - 6.8-8.3 HB ILE 56 - H ASP 65 far 0 97 0 - 8.1-9.1 Violated in 20 structures by 0.35 A. Peak 10767 from nnoeabs.peaks (2.02, 7.92, 118.10 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.88: HB2 GLU 62 + H ASP 65 OK 88 100 90 98 5.4-6.0 3.0/7044=87...(4) HB2 GLU 35 - H ASP 65 far 0 98 0 - 9.0-13.1 Violated in 20 structures by 0.66 A. Peak 10768 from nnoeabs.peaks (2.51, 7.92, 118.10 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.51: HB2 ASP 61 + H ASP 65 OK 51 100 60 85 5.0-6.4 3.0/10736=66...(4) HG3 GLU 63 - H ASP 65 far 5 99 5 - 5.8-7.4 HG3 GLN 72 - H ASP 65 far 0 75 0 - 9.7-12.9 Violated in 19 structures by 0.75 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 4.5-4.8 7100/3.0=76, 7099/3.6=70...(19) Violated in 4 structures by 0.01 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 5.1-5.2 3.0/7115=92, 3.6/7116=62...(10) HA LEU 70 - H LYS 68 far 0 99 0 - 6.6-7.1 Violated in 20 structures by 0.41 A. Peak 10805 from nnoeabs.peaks (8.29, 7.90, 119.49 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.79: H ALA 71 + H GLU 69 OK 79 82 100 96 3.9-4.8 7157/7137=65...(14) Violated in 4 structures by 0.03 A. Peak 10819 from nnoeabs.peaks (1.48, 7.96, 119.43 ppm; 4.93 A): 1 out of 7 assignments used, quality = 0.57: HG2 LYS 73 + H LEU 70 OK 57 99 60 96 4.2-6.5 10813/3.0=72...(13) HG2 LYS 66 - H LEU 70 far 10 99 10 - 4.8-7.3 HG LEU 38 - H LEU 70 poor 6 87 25 29 5.1-8.8 12082/9542=10...(5) HG3 LYS 66 - H LEU 70 far 5 99 5 - 5.7-7.6 HB2 LEU 38 - H LEU 70 far 0 81 0 - 5.9-9.1 HG LEU 64 - H LEU 70 far 0 100 0 - 8.1-9.0 HB3 LEU 64 - H LEU 70 far 0 100 0 - 9.4-10.2 Violated in 15 structures by 0.61 A. Peak 10823 from nnoeabs.peaks (1.86, 8.26, 119.60 ppm; 5.13 A): 4 out of 11 assignments used, quality = 0.85: HB2 LYS 68 + H ALA 71 OK 52 91 60 96 5.2-6.3 9557/7166=70...(6) HG LEU 42 + H ALA 71 OK 35 63 55 99 5.2-6.8 2.1/10414=85, ~8924=57...(16) HB3 LYS 68 + H ALA 71 OK 34 98 40 86 5.6-6.5 3.0/12163=54...(6) HG2 ARG 46 + H PHE 45 OK 25 42 70 86 3.8-7.0 4.9/6741=67...(5) HG LEU 42 - H PHE 45 poor 9 38 25 - 5.9-6.3 HB3 LYS 39 - H ALA 71 far 0 100 0 - 7.0-9.3 HB3 LYS 66 - H ALA 71 far 0 100 0 - 7.2-8.2 HB VAL 54 - H PHE 45 far 0 53 0 - 7.3-8.3 HB VAL 54 - H ALA 71 far 0 84 0 - 7.4-9.0 HB3 LYS 39 - H PHE 45 far 0 71 0 - 8.5-9.9 HG2 ARG 46 - H ALA 71 far 0 70 0 - 9.3-12.7 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 3.6-4.2 7213/7196=84...(12) H VAL 78 - H GLN 72 far 0 100 0 - 6.1-7.3 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 4.6-5.2 7231/10826=61...(7) H LYS 39 - H GLN 72 far 0 100 0 - 9.5-11.0 Violated in 18 structures by 0.22 A. Peak 10847 from nnoeabs.peaks (0.77, 7.91, 115.96 ppm; 4.34 A): 2 out of 8 assignments used, quality = 0.67: QG1 VAL 78 + H GLN 72 OK 54 87 65 96 4.2-6.1 10210/7170=76...(9) QD2 LEU 42 + H GLN 72 OK 29 100 40 71 4.8-6.2 8924/3.6=59, 12176/7170=29 QD2 LEU 70 - H GLN 72 far 0 61 0 - 5.3-6.2 QD1 ILE 76 - H GLN 72 far 0 75 0 - 5.7-7.2 QD1 LEU 64 - H GLN 72 far 0 81 0 - 7.5-8.2 QG1 VAL 54 - H GLN 72 far 0 99 0 - 8.1-9.4 QD1 LEU 6 - H GLN 72 far 0 100 0 - 8.2-9.5 QG2 ILE 52 - H GLN 72 far 0 99 0 - 9.2-11.4 Violated in 13 structures by 0.24 A. Peak 10855 from nnoeabs.peaks (8.10, 7.84, 119.03 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.77: H GLU 75 + H LYS 73 OK 77 81 100 96 3.8-4.2 4.6/7213=67...(10) H LYS 39 - H LYS 73 far 0 91 0 - 9.4-11.0 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 3.8-4.7 7166/7196=89...(9) 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 99 100 100 99 3.7-4.8 10810/7213=59...(14) HA GLU 75 + H MET 74 OK 92 93 100 99 4.4-4.8 2.9/7231=77, 9625=63...(13) HA GLU 69 - H MET 74 far 0 85 0 - 6.1-6.8 HB2 SER 49 - H MET 74 far 0 61 0 - 9.0-13.5 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 3 assignments used, quality = 0.93: HA ALA 71 + H MET 74 OK 93 93 100 100 3.4-4.0 10828=65, 3.6/10826=51...(19) HA GLU 43 - H MET 74 far 0 94 0 - 8.0-8.8 HA ALA 67 - H MET 74 far 0 99 0 - 8.3-9.1 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 = 0.86: HG3 GLU 75 + H MET 74 OK 62 99 70 89 4.5-6.2 5.0/7231=45, 4.0/9625=42...(10) HG2 GLU 75 + H MET 74 OK 44 98 50 90 4.5-6.7 5.0/7231=45, 4.0/9625=42...(10) HB2 GLN 72 + H MET 74 OK 34 90 40 94 4.6-5.6 7198/7213=57...(6) HB3 GLU 75 - H MET 74 far 0 100 0 - 5.5-6.1 HG2 GLU 43 - H MET 74 far 0 100 0 - 7.4-9.7 HG2 GLU 35 - H MET 74 far 0 99 0 - 9.3-12.6 HG3 GLU 35 - H MET 74 far 0 99 0 - 9.4-13.1 Violated in 2 structures by 0.01 A. Peak 10897 from nnoeabs.peaks (0.70, 8.89, 126.14 ppm; 5.42 A): 2 out of 5 assignments used, quality = 0.93: QG2 VAL 78 + H ASP 77 OK 84 88 95 100 3.7-6.3 4.0/7273=72, 8181/3.0=59...(14) QD1 ILE 52 + H ASP 77 OK 60 100 90 66 5.0-6.4 10640/7264=40...(6) QD1 LEU 42 - H ASP 77 far 0 99 0 - 6.9-8.1 QD1 ILE 56 - H ASP 77 far 0 99 0 - 7.6-8.7 HG13 ILE 56 - H ASP 77 far 0 96 0 - 9.2-11.4 Violated in 5 structures by 0.02 A. Peak 10898 from nnoeabs.peaks (0.88, 7.75, 122.84 ppm; 5.05 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 76 + H VAL 78 OK 100 100 100 100 4.0-4.8 10906/4.0=82...(15) QD1 LEU 103 - H VAL 78 far 5 98 5 - 5.2-15.3 QD1 LEU 38 - H VAL 78 far 0 95 0 - 7.5-10.6 Violated in 0 structures by 0.00 A. Peak 10899 from nnoeabs.peaks (1.66, 7.75, 122.84 ppm; 5.55 A): 2 out of 8 assignments used, quality = 0.99: HB ILE 76 + H VAL 78 OK 98 98 100 100 4.7-5.6 2.1/10898=88...(11) HB3 ARG 79 + H VAL 78 OK 47 100 50 94 5.6-7.0 7290/4.6=75, 9690/3.0=31...(7) HG2 LYS 68 - H VAL 78 far 0 96 0 - 6.7-11.3 HD3 LYS 68 - H VAL 78 far 0 100 0 - 6.8-11.9 HB3 LYS 53 - H VAL 78 far 0 81 0 - 7.3-8.3 HD2 LYS 68 - H VAL 78 far 0 100 0 - 7.3-12.5 HB ILE 52 - H VAL 78 far 0 98 0 - 8.2-10.3 HB3 LEU 6 - H VAL 78 far 0 99 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 10919 from nnoeabs.peaks (1.38, 8.42, 118.08 ppm; 5.40 A): 0 out of 4 assignments used, quality = 0.00: HG3 LYS 68 - H THR 80 poor 20 79 35 71 3.9-8.0 12321/7307=56...(4) QB ALA 71 - H THR 80 lone 8 71 90 13 4.5-6.9 10210/9715=6, 9553/9715=6 HB2 LYS 82 - H THR 80 far 0 68 0 - 7.9-9.0 HB2 LEU 70 - H THR 80 far 0 99 0 - 8.8-12.0 Violated in 6 structures by 0.12 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 4.7-5.4 3.0/7308=95, ~7311=79...(11) HA SER 102 - H THR 80 far 0 100 0 - 8.6-19.0 HA HIS 106 - H THR 80 far 0 85 0 - 9.1-17.5 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 5 assignments used, quality = 1.00: HB ILE 56 + H ARG 81 OK 100 100 100 100 3.0-4.3 10293/7311=69...(15) HD2 ARG 81 + H ARG 81 OK 44 63 70 100 2.9-5.6 3.4/7316=61, 3.4/7315=55...(14) HB3 LYS 82 - H ARG 81 far 0 100 0 - 6.1-6.8 HB VAL 78 - H ARG 81 far 0 94 0 - 7.1-9.3 HB3 GLU 63 - H ARG 81 far 0 96 0 - 7.8-9.1 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 3.5-4.7 6945/11122=68, 10712=52...(20) Violated in 12 structures by 0.19 A. Peak 10939 from nnoeabs.peaks (0.86, 8.72, 124.67 ppm; 3.99 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 64 + H LYS 82 OK 100 100 100 100 2.5-4.1 2.1/7328=83, 10247=72...(12) QD1 LEU 57 + H LYS 82 OK 34 65 60 85 4.5-5.2 9801/7340=26...(12) QD1 LEU 38 - H LYS 82 far 0 100 0 - 9.0-12.0 QD2 LEU 103 - H LYS 82 far 0 63 0 - 9.2-18.2 HG13 ILE 8 - H LYS 82 far 0 87 0 - 9.4-11.9 QD1 LEU 103 - H LYS 82 far 0 100 0 - 9.5-18.7 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 3.9-4.6 7397/10303=75...(16) H LEU 14 - H SER 85 far 0 97 0 - 8.7-10.2 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 4 assignments used, quality = 0.99: H LYS 90 + H ASP 87 OK 99 100 100 100 4.8-5.3 9951/2.9=75...(16) H GLU 17 - H ASP 87 far 0 87 0 - 7.7-9.7 H ILE 15 - H ASP 87 far 0 68 0 - 9.1-10.1 H GLU 16 - H ASP 87 far 0 88 0 - 9.6-11.5 Violated in 20 structures by 0.41 A. Peak 10975 from nnoeabs.peaks (2.50, 7.42, 118.87 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.95: HB2 ASP 87 + H ALA 89 OK 89 99 90 99 4.9-6.0 4.6/7397=68, 3.0/9924=68...(10) HB3 ASP 87 + H ALA 89 OK 54 99 55 99 4.9-6.6 4.6/7397=68, 3.0/9924=68...(9) HD2 ARG 91 - H ALA 89 far 5 93 5 - 5.7-8.3 HG3 GLU 95 - H ALA 89 far 0 92 0 - 9.9-11.9 Violated in 11 structures by 0.12 A. Peak 10976 from nnoeabs.peaks (1.24, 7.42, 118.87 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.82: QB ALA 18 + H ALA 89 OK 82 95 100 86 4.9-5.7 ~12030=50, ~9940=37...(6) QG2 THR 84 - H ALA 89 far 5 100 5 - 5.8-8.3 Violated in 20 structures by 0.47 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 4.6-5.2 4.7/7453=74, 3922/3.0=71...(8) H GLU 95 - H LYS 90 far 0 82 0 - 7.5-8.7 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 4.7-5.4 7473/7448=79...(10) Violated in 3 structures by 0.02 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 99 4.3-5.6 7466/7448=72...(12) 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...(7) HA VAL 83 - H ARG 91 far 0 99 0 - 8.5-9.8 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): 1 out of 5 assignments used, quality = 1.00: HD2 ARG 91 + HE ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 ASP 87 - HE ARG 91 far 15 100 15 - 4.6-10.5 HB3 ASP 87 - HE ARG 91 poor 11 100 30 38 3.4-9.4 4031/4.6=16, 4059/4.0=12...(4) HG3 GLU 95 - HE ARG 91 poor 8 70 35 34 4.3-9.1 10040/4.0=30, 4018/6.0=4 HG3 GLU 98 - HE ARG 91 far 0 94 0 - 9.0-12.8 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 3 assignments used, quality = 1.00: HG3 ARG 91 + HE ARG 91 OK 98 98 100 100 2.2-3.9 4.0=100 HB2 ARG 91 + HE ARG 91 OK 90 90 100 100 3.0-5.0 4.6=100 HG LEU 57 - HE ARG 91 far 0 63 0 - 9.7-13.4 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 2 assignments used, quality = 1.00: HG2 ARG 91 + HE ARG 91 OK 100 100 100 100 2.1-3.2 4.0=100 HB3 ARG 81 - HE ARG 91 far 0 92 0 - 9.0-14.6 Violated in 0 structures by 0.00 A. Peak 10990 from nnoeabs.peaks (2.10, 7.47, 119.03 ppm; 4.75 A): 1 out of 5 assignments used, quality = 0.73: HB3 GLU 88 + H ARG 91 OK 73 92 85 93 5.0-5.7 3.0/3869=74...(7) QE MET 21 - H ARG 91 far 15 100 15 - 5.4-6.6 HB3 PRO 86 - H ARG 91 far 0 100 0 - 6.6-8.9 HB VAL 83 - H ARG 91 far 0 96 0 - 6.8-8.0 HB2 PRO 86 - H ARG 91 far 0 90 0 - 6.8-8.8 Violated in 20 structures by 0.67 A. Peak 10991 from nnoeabs.peaks (1.33, 7.47, 119.03 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 89 + H ARG 91 OK 97 100 100 97 4.3-4.7 7415/7431=73...(8) HG2 LYS 94 - H ARG 91 far 10 100 10 - 4.3-8.1 HG LEU 14 - H ARG 91 far 0 97 0 - 7.3-9.2 QB ALA 25 - H ARG 91 far 0 100 0 - 8.5-9.3 Violated in 20 structures by 0.40 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 4.4-5.1 9796/7466=83...(14) QG2 VAL 83 + H TRP 92 OK 51 68 80 94 5.7-6.6 9782/7466=41...(11) HG LEU 55 - H TRP 92 far 0 70 0 - 7.0-8.1 HB3 LEU 55 - H TRP 92 far 0 79 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 10994 from nnoeabs.peaks (1.34, 8.14, 118.10 ppm; 5.43 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 89 + H TRP 92 OK 100 100 100 100 4.4-4.7 7415/7453=94...(12) HG2 LYS 94 + H TRP 92 OK 30 100 40 76 4.1-7.8 4208/7473=65...(4) HG3 LYS 94 - H TRP 92 poor 16 63 25 - 5.7-8.0 QB ALA 25 - H TRP 92 far 0 100 0 - 7.8-8.8 HG LEU 14 - H TRP 92 far 0 100 0 - 8.1-9.8 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 3 assignments used, quality = 1.00: HA GLU 95 + H LYS 94 OK 100 100 100 100 5.2-5.5 3.0/7528=98...(11) HA GLU 17 - H LYS 94 far 0 81 0 - 9.3-11.2 HA LYS 20 - H LYS 94 far 0 82 0 - 9.5-10.9 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 = 0.97: HB2 GLU 95 + H LYS 94 OK 94 99 95 100 4.6-6.3 7539/7528=91...(8) HB3 GLU 95 + H LYS 94 OK 54 68 80 100 4.5-6.5 4.0/7528=85, 4.6/7522=79...(8) HG2 GLU 98 - H LYS 94 far 0 90 0 - 6.7-9.3 HG2 GLU 99 - H LYS 94 far 0 81 0 - 8.2-10.7 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 4.6-5.8 9262/3.6=95...(12) 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 99 99 100 100 4.2-5.5 10069/3.6=78...(8) HG2 LYS 94 + H GLU 98 OK 65 99 75 87 4.9-6.8 3.7/7582=69...(3) HG3 LYS 94 + H GLU 98 OK 52 71 95 77 4.9-6.1 3.7/7582=69...(4) HB3 LEU 27 - H GLU 98 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 11021 from nnoeabs.peaks (0.74, 7.66, 120.59 ppm; 4.90 A): 1 out of 6 assignments used, quality = 0.75: QD1 LEU 27 + H GLU 98 OK 75 88 100 85 4.5-5.3 10064/7579=40...(6) QD2 LEU 27 - H GLU 98 poor 19 96 20 - 5.5-6.5 QG2 ILE 93 - H GLU 98 far 15 100 15 - 5.6-6.6 QD1 ILE 93 - H GLU 98 far 0 87 0 - 7.9-9.2 HG13 ILE 93 - H GLU 98 far 0 100 0 - 8.6-9.7 QG1 VAL 5 - H GLU 98 far 0 93 0 - 8.6-10.0 Violated in 11 structures by 0.10 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 - 7.2-13.8 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 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 11041 from nnoeabs.peaks (1.98, 7.47, 84.20 ppm; 4.46 A): 3 out of 9 assignments used, quality = 1.00: HB2 ARG 46 + HE ARG 46 OK 100 100 100 100 2.0-4.7 4.5=94, 2116/2.9=39...(18) HB3 ARG 46 + HE ARG 46 OK 96 96 100 100 2.0-4.7 4.5=94, 2116/2.9=41...(18) QE MET 74 + HE ARG 46 OK 21 84 30 83 3.7-7.2 9608/2.9=54, 9607/2.9=46...(6) HB3 MET 74 - HE ARG 46 far 10 98 10 - 3.6-7.5 HB2 LYS 47 - HE ARG 46 far 0 100 0 - 7.9-10.3 HB2 GLU 44 - HE ARG 46 far 0 85 0 - 8.1-11.3 HB3 LYS 73 - HE ARG 46 far 0 93 0 - 8.3-11.1 HB3 GLU 44 - HE ARG 46 far 0 85 0 - 8.3-11.9 HB2 LYS 73 - HE ARG 46 far 0 94 0 - 8.8-12.0 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 5 assignments used, quality = 1.00: HG2 ARG 46 + HE ARG 46 OK 94 94 100 100 2.1-4.0 3.6=100 HG3 ARG 46 + HE ARG 46 OK 92 92 100 100 2.5-4.0 3.6=100 HB2 LEU 42 - HE ARG 46 far 0 100 0 - 6.3-9.3 HB2 LYS 39 - HE ARG 46 far 0 99 0 - 8.5-13.7 HB VAL 78 - HE ARG 46 far 0 82 0 - 9.7-13.4 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 8 assignments used, quality = 1.00: HB2 ARG 19 + HE ARG 19 OK 100 100 100 100 2.1-4.3 4.8=100 HB3 ARG 19 + HE ARG 19 OK 68 68 100 100 2.6-4.5 4.8=100 HB2 LYS 20 - HE ARG 19 far 5 100 5 - 5.3-10.1 HB2 LYS 12 - HE ARG 19 far 0 77 0 - 7.0-10.3 HB VAL 5 - HE ARG 19 far 0 71 0 - 7.1-11.8 HB3 LYS 12 - HE ARG 19 far 0 81 0 - 8.5-11.7 HB3 LEU 14 - HE ARG 19 far 0 99 0 - 8.6-12.0 HB3 LYS 13 - HE ARG 19 far 0 92 0 - 9.8-13.2 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 2.3-4.0 3.6=100 HB ILE 15 - HE ARG 19 poor 18 70 30 85 4.4-8.4 2.1/11048=66, ~10120=28...(4) HB2 GLU 28 - HE ARG 19 far 0 91 0 - 8.4-12.1 HD3 LYS 33 - HE ARG 19 far 0 59 0 - 9.6-17.1 HD2 LYS 33 - HE ARG 19 far 0 59 0 - 9.9-16.5 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 5 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 50 100 60 83 3.5-7.6 3.1/11049=28...(8) HB2 ARG 30 - HE ARG 19 far 0 100 0 - 6.2-12.4 HG3 LYS 12 - HE ARG 19 far 0 100 0 - 7.3-11.7 HB3 GLU 28 - HE ARG 19 far 0 68 0 - 9.5-12.8 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 8 assignments used, quality = 1.00: HB3 ARG 19 + HE ARG 19 OK 100 100 100 100 2.6-4.5 4.8=100 HB3 LYS 20 - HE ARG 19 far 5 100 5 - 5.2-9.4 HB2 GLU 17 - HE ARG 19 far 0 100 0 - 8.5-10.8 HB3 LEU 14 - HE ARG 19 far 0 71 0 - 8.6-12.0 HB VAL 32 - HE ARG 19 far 0 100 0 - 9.3-15.6 HB3 LYS 24 - HE ARG 19 far 0 82 0 - 9.6-15.0 HB3 LYS 13 - HE ARG 19 far 0 91 0 - 9.8-13.2 HB2 LYS 24 - HE ARG 19 far 0 82 0 - 9.9-15.1 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 9 assignments used, quality = 0.99: QG2 ILE 15 + HE ARG 19 OK 98 100 100 98 2.0-5.4 8519/3.6=47, 8516/4.8=45...(12) QG2 ILE 7 + HE ARG 19 OK 21 99 40 54 3.8-8.5 8519/3.6=21...(7) QD1 ILE 93 - HE ARG 19 far 0 59 0 - 6.3-8.9 QG2 VAL 32 - HE ARG 19 far 0 88 0 - 7.5-13.0 QD2 LEU 57 - HE ARG 19 far 0 98 0 - 8.5-12.3 QD1 LEU 6 - HE ARG 19 far 0 61 0 - 9.1-13.6 QG2 ILE 8 - HE ARG 19 far 0 90 0 - 9.7-14.5 QD2 LEU 38 - HE ARG 19 far 0 97 0 - 9.7-15.8 QD1 LEU 57 - HE ARG 19 far 0 93 0 - 9.9-13.2 Violated in 2 structures by 0.03 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 1.9-5.6 8673/3.6=87, 8674/4.8=49...(14) QD1 LEU 29 + HE ARG 19 OK 91 98 95 99 4.0-7.1 10499/3.6=70...(13) QD1 ILE 7 - HE ARG 19 poor 12 92 25 50 5.5-9.1 276/11048=15...(6) QD1 LEU 14 - HE ARG 19 far 0 63 0 - 9.3-12.1 Violated in 1 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 100 100 100 100 3.2-5.8 8503/3.6=65...(15) HA LYS 20 + HE ARG 19 OK 57 99 60 96 4.6-8.4 11086/6.5=38, 788/4.8=33...(10) HA GLU 17 - HE ARG 19 far 5 99 5 - 6.2-9.4 Violated in 0 structures by 0.00 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): 1 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 poor 12 59 20 - 5.0-8.7 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 = 0.98: QE TYR 41 + HE ARG 30 OK 87 98 90 99 2.0-6.2 8710/2.9=59, 8906/5.0=41...(13) QD TYR 41 + HE ARG 30 OK 85 95 90 98 3.1-6.8 ~8710=39, 8709/2.9=38...(14) Violated in 3 structures by 0.04 A. Peak 11055 from nnoeabs.peaks (1.53, 7.79, 84.20 ppm; 5.14 A): 1 out of 8 assignments used, quality = 1.00: HG3 ARG 30 + HE ARG 30 OK 100 100 100 100 2.1-3.9 4.0=100 HB3 GLU 28 - HE ARG 30 far 10 69 15 - 4.2-9.7 HG LEU 6 - HE ARG 30 far 0 100 0 - 6.2-9.1 HG2 LYS 33 - HE ARG 30 far 0 93 0 - 8.3-12.8 HG3 LYS 33 - HE ARG 30 far 0 85 0 - 8.3-13.0 HB ILE 7 - HE ARG 30 far 0 100 0 - 8.6-11.4 HG LEU 2 - HE ARG 30 far 0 97 0 - 9.5-14.7 HB2 LEU 3 - HE ARG 30 far 0 87 0 - 9.8-14.0 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 3 assignments used, quality = 0.93: HG2 ARG 30 + HE ARG 30 OK 93 93 100 100 2.2-3.6 4.0=100 HB3 LEU 27 - HE ARG 30 far 0 75 0 - 8.3-12.0 HB3 LEU 2 - HE ARG 30 far 0 92 0 - 9.2-14.4 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 3 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 - 7.8-13.1 HB3 LYS 53 - HE ARG 81 far 0 73 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 11059 from nnoeabs.peaks (0.73, 5.83, 83.71 ppm; 5.52 A): 1 out of 15 assignments used, quality = 0.99: HG3 ARG 81 + HE ARG 81 OK 99 99 100 100 2.2-3.6 4.0=100 QD1 LEU 64 - HE ARG 81 poor 19 98 25 77 3.5-7.5 9483/6.3=28, 7318/7.0=21...(7) QG2 VAL 78 - HE ARG 81 far 0 99 0 - 6.6-11.8 QG1 VAL 58 - HE ARG 81 far 0 99 0 - 7.7-10.5 QG1 VAL 78 - HE ARG 81 far 0 96 0 - 7.7-12.9 QD1 ILE 56 - HE ARG 81 far 0 88 0 - 7.7-10.1 QG1 VAL 5 - HE ARG 81 far 0 100 0 - 7.8-10.3 QD2 LEU 14 - HE ARG 81 far 0 89 0 - 8.0-12.4 HG13 ILE 93 - HE ARG 81 far 0 98 0 - 8.6-14.0 QD1 ILE 93 - HE ARG 81 far 0 59 0 - 8.6-11.0 QG1 VAL 54 - HE ARG 81 far 0 75 0 - 8.7-11.8 HG13 ILE 56 - HE ARG 81 far 0 96 0 - 8.8-12.6 QG2 ILE 93 - HE ARG 81 far 0 92 0 - 9.0-12.4 QD1 ILE 8 - HE ARG 81 far 0 91 0 - 9.2-12.0 QD1 LEU 27 - HE ARG 81 far 0 61 0 - 9.6-13.1 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 3 assignments used, quality = 1.00: HG2 ARG 81 + HE ARG 81 OK 99 99 100 100 2.2-4.0 4.0=100 QD1 LEU 55 + HE ARG 81 OK 98 100 100 98 3.3-6.0 9253/2.9=76, 9257/6.3=43...(7) QD1 LEU 3 - HE ARG 81 far 0 84 0 - 9.8-14.1 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 4 assignments used, quality = 1.00: HB3 HIS 106 + H HIS 106 OK 99 99 100 100 2.5-3.7 4.0=100 * HB3 HIS 105 + H HIS 106 OK 97 100 100 97 1.9-4.7 4.7=80, 4552/3.6=76...(4) HD3 ARG 79 - H HIS 106 far 0 99 0 - 7.7-15.9 HD2 ARG 79 - H HIS 106 far 0 100 0 - 7.8-16.7 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 = 1.00: H TYR 4 + H LYS 53 OK 100 100 100 100 3.2-4.0 99/8064=68, 6037/9182=57...(17) 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 4.5-4.9 10203/3.0=75...(13) Violated in 5 structures by 0.01 A. Peak 11101 from nnoeabs.peaks (5.20, 8.49, 120.76 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.95: HA VAL 78 + H VAL 54 OK 95 100 100 96 1.9-2.7 10348/6896=51, 3477=47...(16) Violated in 0 structures by 0.00 A. Peak 11106 from nnoeabs.peaks (8.91, 8.49, 120.76 ppm; 6.30 A): 1 out of 3 assignments used, quality = 0.94: H ASP 77 + H VAL 54 OK 94 94 100 100 5.3-6.5 3.9/9242=85...(9) H VAL 5 - H VAL 54 far 0 99 0 - 7.2-7.8 H LEU 57 - H VAL 54 far 0 90 0 - 9.5-10.4 Violated in 2 structures by 0.01 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 4.2-4.8 11108=100, 3.0/8216=92...(18) 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 4.2-4.8 8216/3.0=85, 11107=79...(18) 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 4.6-4.9 3.0/8298=94...(8) 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 = 0.69: HA LYS 33 + H VAL 32 OK 69 75 100 92 4.6-4.9 ~6515=53, ~1394=53...(7) HB THR 34 - H VAL 32 far 0 77 0 - 9.6-10.0 Violated in 0 structures by 0.00 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 4.5-5.0 3.0/11101=100...(11) H SER 49 - H VAL 54 far 0 77 0 - 8.3-10.7 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 = 0.97: HA LEU 55 + H ARG 79 OK 97 98 100 100 2.4-3.3 11117=96, 6915/9697=44...(14) 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 4.2-5.1 9701/2.9=94...(13) 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 = 0.96: HA LEU 57 + H ARG 81 OK 96 99 100 97 2.8-3.7 6945/10926=48...(20) Violated in 2 structures by 0.00 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 - 3.9-4.8 HE ARG 30 - H LEU 3 far 0 100 0 - 8.9-13.8 Violated in 20 structures by 1.48 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 - 4.8-7.3 H LYS 53 - H ASN 51 far 0 88 0 - 6.2-7.2 H VAL 54 - H ASN 51 far 0 100 0 - 9.1-10.0 Violated in 20 structures by 2.54 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 - 7.3-8.1 Violated in 20 structures by 3.35 A. Peak 12269 from nnoeabs.peaks (3.00, 7.55, 122.27 ppm; 4.30 A): 2 out of 7 assignments used, quality = 1.00: HB3 ASP 11 + H LEU 14 OK 100 100 100 100 2.4-3.1 8379=52, 1.8/8377=50...(21) HB2 SER 9 + H LEU 14 OK 32 100 35 93 4.9-6.5 8324/626=37, 8432/594=25...(14) HE2 LYS 13 - H LEU 14 far 0 61 0 - 5.4-7.5 HE2 LYS 12 - H LEU 14 far 0 99 0 - 6.8-9.0 HE3 LYS 12 - H LEU 14 far 0 71 0 - 7.4-9.6 HE2 LYS 33 - H LEU 14 far 0 90 0 - 9.7-15.3 HE3 LYS 33 - H LEU 14 far 0 90 0 - 10.0-14.5 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 = 0.95: QD2 LEU 27 + H LEU 3 OK 90 91 100 99 2.4-4.1 10132/4.0=61...(12) QD1 LEU 27 + H LEU 3 OK 54 94 60 96 4.3-6.0 10137/132=49...(11) QG2 ILE 52 - H LEU 3 far 0 81 0 - 6.4-7.7 QG2 ILE 93 - H LEU 3 far 0 100 0 - 7.0-9.0 QG1 VAL 54 - H LEU 3 far 0 99 0 - 7.1-8.1 QG1 VAL 5 - H LEU 3 far 0 87 0 - 8.5-8.9 QG2 VAL 78 - H LEU 3 far 0 79 0 - 9.4-12.1 QD1 LEU 6 - H LEU 3 far 0 92 0 - 9.5-10.6 QG1 VAL 78 - H LEU 3 far 0 100 0 - 9.6-11.0 QD1 ILE 93 - H LEU 3 far 0 93 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 12286 from nnoeabs.peaks (2.12, 7.80, 119.34 ppm; 4.28 A): 3 out of 6 assignments used, quality = 0.88: HG2 GLU 69 + H LYS 66 OK 66 100 70 94 4.0-5.4 10798/4.8=34...(16) HB2 LEU 64 + H LYS 66 OK 44 100 45 99 4.9-5.5 7049/7064=78...(10) HB2 GLU 69 + H LYS 66 OK 40 100 45 88 4.7-6.1 3102/3.0=60...(11) HB3 GLU 62 - H LYS 66 far 8 75 10 - 5.0-6.8 HB3 GLU 35 - H LYS 66 far 0 59 0 - 6.1-9.0 HB3 GLU 69 - H LYS 66 far 0 100 0 - 6.4-7.4 Violated in 6 structures by 0.02 A. Peak 12287 from nnoeabs.peaks (2.26, 7.80, 119.34 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.96: HG2 GLU 62 + H LYS 66 OK 87 100 95 91 4.2-6.2 4.0/7060=80...(6) HG3 GLU 62 + H LYS 66 OK 68 100 75 90 3.8-6.3 4.0/7060=80...(6) HG2 GLU 63 - H LYS 66 far 10 65 15 - 5.9-7.4 HB3 GLN 72 - H LYS 66 far 0 87 0 - 8.9-10.4 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 4.3-4.4 3.0/6409=84...(10) HA GLU 28 - H ALA 25 far 0 96 0 - 7.7-8.7 Violated in 20 structures by 0.06 A. Peak 12303 from nnoeabs.peaks (2.01, 8.19, 117.17 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: QE MET 74 + H GLU 43 OK 100 100 100 100 2.6-3.3 9585=82, 10280/6696=45...(17) HB2 GLU 44 - H GLU 43 far 5 100 5 - 4.3-5.2 HB2 ARG 46 - H GLU 43 far 0 73 0 - 4.6-7.3 HB3 GLU 44 - H GLU 43 far 0 100 0 - 5.3-6.3 HB2 GLU 37 - H GLU 43 far 0 79 0 - 9.2-10.0 HB2 LYS 47 - H GLU 43 far 0 61 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 12304 from nnoeabs.peaks (1.85, 7.44, 111.53 ppm; 6.14 A): 2 out of 3 assignments used, quality = 0.99: HB2 LYS 68 + HE22 GLN 72 OK 94 99 95 100 2.7-7.3 ~9574=61, ~9563=59...(20) HB3 LYS 68 + HE22 GLN 72 OK 82 87 95 100 2.4-7.2 ~9574=61, 9563/3.5=45...(18) HB VAL 54 - HE22 GLN 72 far 0 61 0 - 8.6-13.9 Violated in 0 structures by 0.00 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 5.1-5.4 3.0/6780=96, 4.1/9029=40...(8) HA ILE 76 - H LYS 47 far 0 100 0 - 7.8-8.9 HA GLN 50 - H LYS 47 far 0 70 0 - 8.9-10.4 HA MET 74 - H LYS 47 far 0 79 0 - 9.6-11.5 Violated in 20 structures by 0.14 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 2.4-3.0 3.0=100 QE MET 1 + HA MET 1 OK 61 68 100 91 3.3-4.4 3.3/5=46, 37=36...(13) 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 4 assignments used, quality = 1.00: * HB3 MET 1 + HA MET 1 OK 100 100 100 100 2.4-3.0 3.0=100 QE MET 1 + HA MET 1 OK 78 84 100 93 3.3-4.4 37=43, 3.3/5=42...(13) HB2 GLN 50 - HA MET 1 far 0 91 0 - 5.8-8.9 HB3 GLU 99 - HA MET 1 far 0 68 0 - 9.7-14.8 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 2.1-3.7 4.2=91, 3.3/37=51...(8) HB3 GLN 50 - HA MET 1 far 0 87 0 - 5.7-8.9 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 2.2-3.6 4.2=100 HG3 GLN 50 - HA MET 1 far 5 98 5 - 5.1-10.3 HG2 GLN 50 - HA MET 1 far 5 94 5 - 5.3-10.7 HG3 GLU 48 - HA MET 1 far 0 99 0 - 5.8-10.2 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 = 0.99: * QE MET 1 + HA MET 1 OK 86 100 90 96 3.3-4.4 37=52, 3.3/5=41...(13) HB3 MET 1 + HA MET 1 OK 84 84 100 100 2.4-3.0 3.0=100 HB2 MET 1 + HA MET 1 OK 68 68 100 100 2.4-3.0 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 3 assignments used, quality = 1.00: * H LEU 2 + HA MET 1 OK 100 100 100 100 2.2-2.5 3.6=94, 3.0/8002=28...(15) H ASN 51 - HA MET 1 far 4 85 5 - 4.2-7.2 H GLN 50 - HA MET 1 far 0 59 0 - 6.4-9.7 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 12 assignments used, quality = 1.00: * HA MET 1 + HB2 MET 1 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 47 + HB3 LYS 47 OK 70 70 100 100 2.4-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 54 54 100 100 2.3-2.7 3.0=100 HA LYS 73 + HB2 LYS 73 OK 53 53 100 100 2.5-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 50 50 100 100 2.4-2.6 3.0=100 HA GLN 72 - HB2 LYS 73 far 0 57 0 - 5.5-5.8 HA GLN 72 - HB3 LYS 73 far 0 59 0 - 6.4-6.6 HA GLU 98 - HB2 LYS 94 far 0 28 0 - 6.9-9.5 HA GLU 23 - HB3 LYS 20 far 0 53 0 - 7.6-8.1 HA GLU 98 - HB2 MET 1 far 0 77 0 - 7.8-11.7 HA GLU 99 - HB2 MET 1 far 0 70 0 - 8.1-12.4 HA LYS 13 - HB3 LYS 20 far 0 55 0 - 8.2-10.3 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): 3 out of 30 assignments used, quality = 1.00: * HB3 MET 1 + HB2 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 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 1 - HB2 MET 1 far 4 84 5 - 2.9-4.3 HB3 GLU 44 - HB3 LYS 47 far 0 76 0 - 4.4-6.9 HB2 ARG 46 - HB3 LYS 47 far 0 54 0 - 4.5-6.8 QE MET 74 - HB3 LYS 73 far 0 59 0 - 4.6-7.2 HB3 MET 74 - HB2 LYS 73 far 0 26 0 - 4.8-6.5 QE MET 74 - HB2 LYS 73 far 0 58 0 - 4.9-7.3 HB3 MET 74 - HB3 LYS 73 far 0 27 0 - 5.1-6.5 HB3 LYS 24 - HB3 LYS 20 far 0 25 0 - 5.2-8.3 HB2 LYS 24 - HB3 LYS 20 far 0 25 0 - 5.3-8.4 HB2 GLU 44 - HB3 LYS 47 far 0 76 0 - 5.4-7.4 HB3 GLU 17 - HB3 LYS 20 far 0 55 0 - 5.4-7.7 HB2 ARG 46 - HB2 LYS 47 far 0 37 0 - 5.8-7.6 HB3 GLU 44 - HB2 LYS 47 far 0 54 0 - 5.8-8.0 HG12 ILE 93 - HB2 LYS 94 far 0 24 0 - 6.7-8.1 HG12 ILE 93 - HB3 LYS 20 far 0 31 0 - 6.9-10.8 HB2 GLU 44 - HB2 LYS 47 far 0 54 0 - 7.0-8.5 HB3 GLU 99 - HB2 MET 1 far 0 68 0 - 7.2-13.4 HB2 GLN 50 - HB2 MET 1 far 0 91 0 - 7.8-11.2 HB2 GLU 35 - HB2 LYS 73 far 0 57 0 - 7.8-12.6 QE MET 74 - HB3 LYS 47 far 0 76 0 - 8.5-9.8 HB2 GLU 35 - HB3 LYS 73 far 0 58 0 - 8.5-13.4 HB2 GLN 50 - HB2 LYS 47 far 0 44 0 - 8.8-10.6 HB3 GLU 17 - HB2 LYS 94 far 0 44 0 - 8.9-12.8 HB3 LYS 94 - HB3 LYS 20 far 0 46 0 - 9.0-12.3 QE MET 74 - HB2 LYS 47 far 0 54 0 - 9.3-11.0 HB2 GLN 50 - HB3 LYS 47 far 0 63 0 - 9.6-11.5 HB3 GLU 99 - HB2 LYS 94 far 0 24 0 - 9.6-12.3 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 2.2-3.0 3.0=100 HB2 GLN 72 - HB2 LYS 73 far 3 32 10 - 4.1-6.1 HB3 GLN 72 - HB2 LYS 73 far 0 30 0 - 4.4-5.1 HG2 GLU 98 - HB2 LYS 94 far 0 38 0 - 5.1-8.7 HB3 GLU 16 - HB3 LYS 20 far 0 33 0 - 5.2-7.5 HB2 GLN 72 - HB3 LYS 73 far 0 33 0 - 5.3-6.6 HB2 GLU 95 - HB2 LYS 94 far 0 44 0 - 5.4-7.3 HG3 GLU 75 - HB3 LYS 73 far 0 45 0 - 5.6-7.5 HG2 GLU 75 - HB3 LYS 73 far 0 43 0 - 5.6-8.7 HB3 GLN 72 - HB3 LYS 73 far 0 31 0 - 5.8-6.3 HG2 GLU 75 - HB2 LYS 73 far 0 42 0 - 6.1-9.1 HG3 GLU 75 - HB2 LYS 73 far 0 44 0 - 6.3-8.2 HB3 GLU 75 - HB3 LYS 73 far 0 57 0 - 7.6-8.8 HB3 GLN 50 - HB2 LYS 47 far 0 41 0 - 7.6-9.8 HG2 GLU 35 - HB2 LYS 73 far 0 58 0 - 7.7-11.1 HG3 GLU 35 - HB2 LYS 73 far 0 58 0 - 7.8-12.8 HB3 GLU 75 - HB2 LYS 73 far 0 56 0 - 7.8-9.3 HB3 GLN 50 - HB3 LYS 47 far 0 60 0 - 7.8-10.6 HG3 GLU 35 - HB3 LYS 73 far 0 59 0 - 8.4-13.3 HG2 GLU 35 - HB3 LYS 73 far 0 59 0 - 8.4-11.7 HB3 GLN 50 - HB2 MET 1 far 0 87 0 - 8.4-11.4 HG2 GLU 43 - HB2 LYS 73 far 0 55 0 - 8.5-12.2 HG2 GLU 43 - HB3 LYS 73 far 0 56 0 - 8.7-11.8 HG2 GLU 43 - HB3 LYS 47 far 0 73 0 - 8.8-10.7 HG2 GLU 99 - HB2 LYS 94 far 0 34 0 - 8.8-11.1 HG2 GLU 99 - HB2 MET 1 far 0 88 0 - 8.9-15.1 HG3 PRO 86 - HB3 LYS 20 far 0 55 0 - 9.6-12.6 HG2 GLU 98 - HB2 MET 1 far 0 95 0 - 9.9-13.6 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 2.2-3.0 3.0=100 HG3 GLU 48 + HB3 LYS 47 OK 31 73 55 77 2.5-6.8 6794/6783=42...(9) HG3 GLU 48 - HB2 LYS 47 poor 15 51 30 - 3.2-6.3 HG3 MET 21 - HB3 LYS 20 poor 14 48 55 52 3.7-6.8 5.1/6325=33, 3.9/957=14...(7) HB3 MET 21 - HB3 LYS 20 poor 12 47 25 - 4.2-7.3 HB3 MET 21 - HB2 LYS 94 poor 7 37 20 - 3.3-6.4 HG3 MET 21 - HB2 LYS 94 far 4 38 10 - 3.0-6.9 HG3 GLU 17 - HB3 LYS 20 far 0 53 0 - 5.2-8.6 HG2 GLN 72 - HB2 LYS 73 far 0 57 0 - 6.5-7.0 HG3 GLN 50 - HB2 LYS 47 far 0 50 0 - 6.8-11.2 HG3 GLN 50 - HB2 MET 1 far 0 98 0 - 7.3-12.6 HG2 GLN 50 - HB2 MET 1 far 0 94 0 - 7.4-13.0 HG2 GLN 50 - HB2 LYS 47 far 0 47 0 - 7.5-12.0 HG3 GLN 50 - HB3 LYS 47 far 0 71 0 - 7.5-12.0 HG2 GLN 50 - HB3 LYS 47 far 0 67 0 - 7.9-12.7 HG2 GLN 72 - HB3 LYS 73 far 0 58 0 - 7.9-8.1 HG3 GLU 48 - HB2 MET 1 far 0 99 0 - 8.5-12.6 HG3 GLU 99 - HB2 LYS 94 far 0 36 0 - 8.7-11.3 HG3 GLU 99 - HB2 MET 1 far 0 92 0 - 8.8-14.6 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 9 assignments used, quality = 1.00: * H LEU 2 + HB2 MET 1 OK 100 100 100 100 3.1-4.6 4.6=100 H GLN 50 - HB3 LYS 47 far 0 38 0 - 6.7-8.5 H GLN 50 - HB2 LYS 47 far 0 26 0 - 6.8-8.1 H ASN 51 - HB2 MET 1 far 0 85 0 - 6.9-9.1 H ASN 51 - HB3 LYS 47 far 0 58 0 - 8.0-12.6 H ASN 51 - HB2 LYS 47 far 0 40 0 - 8.4-12.2 H ALA 67 - HB2 LYS 73 far 0 39 0 - 9.1-10.2 H GLN 50 - HB2 MET 1 far 0 59 0 - 9.3-11.8 H LEU 2 - HB3 LYS 47 far 0 76 0 - 9.9-13.6 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 4 assignments used, quality = 1.00: * HA MET 1 + HB3 MET 1 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 98 - HB3 LYS 94 far 0 27 0 - 7.7-9.7 HA GLU 98 - HB3 MET 1 far 0 77 0 - 8.5-12.6 HA GLU 99 - HB3 MET 1 far 0 70 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 17 from cnoeabs.peaks (1.94, 2.00, 32.61 ppm; 2.40 A): 2 out of 8 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 far 3 68 5 - 3.3-4.3 HB2 LYS 24 - HB3 LYS 94 far 0 34 0 - 5.7-9.8 HB3 LYS 24 - HB3 LYS 94 far 0 34 0 - 5.9-9.7 HB2 GLU 17 - HB3 LYS 94 far 0 43 0 - 8.8-11.6 HB3 LYS 20 - HB3 LYS 94 far 0 42 0 - 9.0-12.3 HG3 GLU 88 - HB3 LYS 94 far 0 43 0 - 9.2-13.0 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 5 assignments used, quality = 1.00: * HG2 MET 1 + HB3 MET 1 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 95 - HB3 LYS 94 poor 11 42 25 - 3.7-6.9 HG2 GLU 98 - HB3 LYS 94 far 0 37 0 - 6.3-8.2 HB3 GLN 50 - HB3 MET 1 far 0 87 0 - 7.0-11.4 HG2 GLU 99 - HB3 LYS 94 far 0 33 0 - 7.5-11.1 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 2.2-3.0 3.0=100 HB3 MET 21 - HB3 LYS 94 poor 11 36 30 - 4.1-7.9 HG3 MET 21 - HB3 LYS 94 far 2 37 5 - 4.5-7.0 HG3 GLN 50 - HB3 MET 1 far 0 98 0 - 5.8-12.9 HG2 GLN 50 - HB3 MET 1 far 0 94 0 - 6.7-13.1 HG3 GLU 99 - HB3 LYS 94 far 0 35 0 - 7.4-11.5 HG3 GLU 48 - HB3 MET 1 far 0 99 0 - 8.5-12.6 HG3 GLU 99 - HB3 MET 1 far 0 92 0 - 9.9-15.2 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): 1 out of 3 assignments used, quality = 1.00: * H LEU 2 + HB3 MET 1 OK 100 100 100 100 3.0-4.6 4.6=100 H ASN 51 - HB3 MET 1 far 9 85 10 - 5.6-9.3 H GLN 50 - HB3 MET 1 far 0 59 0 - 8.2-11.9 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 2.1-3.7 4.2=100 HA GLU 99 - HG2 MET 1 far 0 70 0 - 7.7-12.3 HA GLU 98 - HG2 MET 1 far 0 77 0 - 8.1-11.9 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 2.2-3.0 3.0=100 QE MET 1 + HG2 MET 1 OK 68 68 100 100 2.0-3.2 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 2.2-3.0 3.0=100 QE MET 1 + HG2 MET 1 OK 82 84 100 97 2.0-3.2 3.3=86, 32/1.8=30...(16) HB3 GLU 99 - HG2 MET 1 far 0 68 0 - 6.2-12.7 HB2 GLN 50 - HG2 MET 1 far 0 91 0 - 6.4-10.0 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 HG3 GLN 50 - HG2 MET 1 far 0 98 0 - 6.0-12.4 HG2 GLN 50 - HG2 MET 1 far 0 94 0 - 6.0-12.3 HG3 GLU 48 - HG2 MET 1 far 0 99 0 - 7.0-12.2 HG3 GLU 99 - HG2 MET 1 far 0 92 0 - 7.8-14.3 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 98 100 100 98 2.0-3.2 3.3=87, 8026/8018=28...(16) HB3 MET 1 + HG2 MET 1 OK 84 84 100 100 2.2-3.0 3.0=100 HB2 MET 1 + HG2 MET 1 OK 68 68 100 100 2.2-3.0 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): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HG2 MET 1 OK 100 100 100 100 1.9-4.9 6006=100, 8/5=75...(11) H ASN 51 - HG2 MET 1 poor 19 85 30 72 5.2-8.6 ~8032=39, 43/3.3=30...(6) H GLN 50 - HG2 MET 1 far 0 59 0 - 6.9-11.2 H VAL 54 - HG2 MET 1 far 0 93 0 - 8.9-10.0 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 2.2-3.6 4.2=100 HA GLU 98 - HG3 MET 1 far 0 77 0 - 8.5-12.0 HA GLU 99 - HG3 MET 1 far 0 70 0 - 9.1-13.0 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 2.2-3.0 3.0=100 QE MET 1 + HG3 MET 1 OK 67 68 100 100 2.0-3.0 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 2.2-3.0 3.0=100 QE MET 1 + HG3 MET 1 OK 84 84 100 100 2.0-3.0 3.3=97, 25/1.8=33...(18) HB2 GLN 50 - HG3 MET 1 far 0 91 0 - 6.4-10.2 HB3 GLU 99 - HG3 MET 1 far 0 68 0 - 7.9-12.6 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 - 6.9-10.2 HG2 GLU 99 - HG3 MET 1 far 0 88 0 - 8.7-15.0 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 2.0-3.0 3.3=91, 8026/8022=30...(18) HB3 MET 1 + HG3 MET 1 OK 84 84 100 100 2.2-3.0 3.0=100 HB2 MET 1 + HG3 MET 1 OK 68 68 100 100 2.2-3.0 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 2.1-4.9 6007=91, 6006/1.8=88...(12) H ASN 51 + HG3 MET 1 OK 31 85 40 92 5.7-7.4 4.0/10633=56, ~8032=46...(8) H GLN 50 - HG3 MET 1 far 0 59 0 - 7.5-10.3 H VAL 54 - HG3 MET 1 far 0 93 0 - 8.7-10.9 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 = 0.99: * HA MET 1 + QE MET 1 OK 99 100 100 99 3.3-4.4 5/3.3=63, 5.3=54...(13) HA GLU 99 - QE MET 1 far 0 70 0 - 6.7-8.9 HA GLU 98 - QE MET 1 far 0 77 0 - 7.9-10.2 HA GLU 104 - QE MET 1 far 0 75 0 - 8.0-14.0 Violated in 10 structures by 0.02 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 2.0-3.2 3.3=100 HG2 GLU 99 - QE MET 1 far 0 88 0 - 6.2-10.4 HB3 GLN 50 - QE MET 1 far 0 87 0 - 6.4-7.7 HG2 GLU 98 - QE MET 1 far 0 95 0 - 9.9-12.0 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 2.0-3.0 3.3=100 HG3 GLN 50 - QE MET 1 far 0 98 0 - 5.3-9.1 HG2 GLN 50 - QE MET 1 far 0 94 0 - 5.8-9.1 HG3 GLU 99 - QE MET 1 far 0 92 0 - 6.7-10.4 HG3 GLU 48 - QE MET 1 far 0 99 0 - 7.6-10.9 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 = 0.99: * H LEU 2 + QE MET 1 OK 95 100 95 99 3.2-5.8 8/37=70, 6006/3.3=63...(13) H ASN 51 + QE MET 1 OK 85 85 100 99 4.1-5.4 3.0/8032=81, 4.0/8030=65...(11) H GLN 50 - QE MET 1 far 0 59 0 - 6.5-8.1 H VAL 54 - QE MET 1 far 0 93 0 - 6.5-8.0 H ARG 79 - QE MET 1 far 0 99 0 - 8.3-10.6 Violated in 0 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 2.8-2.9 3.0=100 H ASN 51 - HA LEU 2 far 0 85 0 - 7.6-10.0 H GLN 50 - HA LEU 2 far 0 59 0 - 8.9-11.0 H VAL 54 - HA LEU 2 far 0 93 0 - 9.6-10.3 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 2 + HA LEU 2 OK 100 100 100 100 2.2-2.6 3.0=100 HB ILE 52 - HA LEU 2 far 0 75 0 - 6.3-8.8 HB3 LYS 53 - HA LEU 2 far 0 96 0 - 6.7-7.6 HD2 LYS 47 - HA LEU 2 far 0 91 0 - 9.8-15.3 HD3 LYS 47 - HA LEU 2 far 0 92 0 - 9.9-16.3 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 2.3-2.7 3.0=100 HG LEU 3 + HA LEU 2 OK 64 70 100 92 3.2-4.3 2.1/8050=41, 5.0/6018=33...(13) HB3 LEU 27 - HA LEU 2 far 0 99 0 - 5.5-7.7 QB ALA 25 - HA LEU 2 far 0 100 0 - 7.2-9.1 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 4 assignments used, quality = 1.00: * HG LEU 2 + HA LEU 2 OK 100 100 100 100 3.7-4.3 3.7=100 HB2 LEU 3 + HA LEU 2 OK 42 61 70 98 4.4-5.6 4.0/6018=61, 3.1/8050=48...(12) HD3 LYS 53 - HA LEU 2 far 0 63 0 - 7.4-10.0 HG2 LYS 47 - HA LEU 2 far 0 87 0 - 9.8-14.5 Violated in 1 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 3.4-3.5 77=100, 83/6018=41...(12) QG2 ILE 52 - HA LEU 2 far 0 77 0 - 7.2-7.8 Violated in 20 structures by 0.11 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 3.1-4.1 4.0=100 QG2 ILE 76 - HA LEU 2 far 0 100 0 - 9.7-11.2 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 2.2-2.4 6018=100, 83/77=33...(11) H ASN 26 - HA LEU 2 far 0 100 0 - 8.8-10.9 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 2.3-3.9 4.0=100 H ASN 51 - HB2 LEU 2 far 0 85 0 - 6.5-10.2 H GLN 50 - HB2 LEU 2 far 0 59 0 - 7.2-10.0 H VAL 54 - HB2 LEU 2 far 0 93 0 - 8.9-10.8 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 2 assignments used, quality = 1.00: * HA LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.2-2.6 3.0=100 HA GLU 48 - HB2 LEU 2 far 0 68 0 - 7.0-9.5 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 - 4.9-6.1 HB3 LEU 27 - HB2 LEU 2 far 0 99 0 - 5.8-9.8 QB ALA 25 - HB2 LEU 2 far 0 100 0 - 8.7-11.2 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 4 assignments used, quality = 1.00: * HG LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 3 - HB2 LEU 2 far 0 61 0 - 5.4-7.6 HG2 LYS 47 - HB2 LEU 2 far 0 87 0 - 7.6-12.5 HD3 LYS 53 - HB2 LEU 2 far 0 63 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 57 from cnoeabs.peaks (0.81, 1.70, 43.59 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.4-3.2 3.1=100 QG2 ILE 52 - HB2 LEU 2 far 0 77 0 - 6.3-7.7 QD1 LEU 6 - HB2 LEU 2 far 0 61 0 - 9.8-12.4 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 2.1-3.2 3.1=100 QG2 ILE 76 - HB2 LEU 2 far 0 100 0 - 9.0-10.9 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 1 assignment used, quality = 1.00: * H LEU 3 + HB2 LEU 2 OK 100 100 100 100 2.6-4.2 4.6=100 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 3.1-3.9 4.0=100 H ASN 51 - HB3 LEU 2 far 0 85 0 - 7.0-10.3 H GLN 50 - HB3 LEU 2 far 0 59 0 - 7.7-9.8 H VAL 54 - HB3 LEU 2 far 0 93 0 - 8.6-10.7 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 2 assignments used, quality = 1.00: * HA LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.3-2.7 3.0=100 HA GLU 48 - HB3 LEU 2 far 0 68 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 62 from cnoeabs.peaks (1.70, 1.33, 43.59 ppm; 2.85 A): 1 out of 5 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 far 0 75 0 - 5.1-7.2 HB3 LYS 53 - HB3 LEU 2 far 0 96 0 - 6.7-8.7 HD3 LYS 47 - HB3 LEU 2 far 0 92 0 - 8.0-14.2 HD2 LYS 47 - HB3 LEU 2 far 0 91 0 - 8.0-13.2 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 4 assignments used, quality = 1.00: * HG LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 3 - HB3 LEU 2 far 0 61 0 - 5.3-7.5 HG2 LYS 47 - HB3 LEU 2 far 0 87 0 - 7.8-12.5 HD3 LYS 53 - HB3 LEU 2 far 0 63 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 65 from cnoeabs.peaks (0.81, 1.33, 43.59 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.4-3.2 3.1=100 QG2 ILE 52 - HB3 LEU 2 far 0 77 0 - 5.9-7.5 QD1 ILE 76 - HB3 LEU 2 far 0 99 0 - 9.8-12.2 QD1 LEU 6 - HB3 LEU 2 far 0 61 0 - 9.9-12.0 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 2.1-3.2 3.1=100 QG2 ILE 76 - HB3 LEU 2 far 0 100 0 - 8.1-10.1 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 1 assignment used, quality = 0.99: * H LEU 3 + HB3 LEU 2 OK 99 100 100 99 2.6-4.1 6018/3.0=79, 4.6=69...(10) Violated in 0 structures by 0.00 A. Peak 68 from cnoeabs.peaks (8.51, 1.51, 26.80 ppm; 4.11 A): 4 out of 17 assignments used, quality = 1.00: * H LEU 2 + HG LEU 2 OK 99 100 100 99 3.6-4.0 6012=88, ~77=43, ~49=42...(8) H ARG 79 + HG2 ARG 79 OK 81 81 100 100 1.9-4.8 4.7=69, 7289/3.0=64...(22) H ARG 79 + HG3 ARG 79 OK 79 79 100 100 3.5-4.5 4.7=69, 7289/3.0=64...(19) H THR 31 + HG3 ARG 30 OK 51 51 100 100 3.2-4.4 6496=84, 6493/2.9=67...(12) H VAL 54 - HG2 ARG 79 poor 12 74 30 56 3.1-7.8 3541/3.0=10, 3496/4.1=10...(15) H VAL 54 - HG3 ARG 79 far 7 71 10 - 4.6-7.6 H ASN 51 - HG LEU 2 far 0 85 0 - 5.0-9.3 H GLN 50 - HG LEU 2 far 0 59 0 - 5.7-8.1 H THR 31 - HG LEU 6 far 0 82 0 - 5.7-7.5 H VAL 54 - HG LEU 6 far 0 76 0 - 6.6-8.5 H VAL 32 - HG LEU 6 far 0 62 0 - 6.7-7.9 H VAL 32 - HG3 ARG 30 far 0 37 0 - 7.0-8.4 H ARG 79 - HG LEU 6 far 0 84 0 - 7.0-9.1 H VAL 54 - HG LEU 2 far 0 93 0 - 7.4-9.9 H VAL 58 - HG2 ARG 79 far 0 54 0 - 8.3-11.8 H VAL 58 - HG3 ARG 79 far 0 52 0 - 8.8-12.1 H VAL 58 - HG LEU 6 far 0 55 0 - 9.2-11.1 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 3 assignments used, quality = 1.00: * HA LEU 2 + HG LEU 2 OK 100 100 100 100 3.7-4.3 3.7=100 HA GLU 48 - HG LEU 2 far 7 68 10 - 4.7-7.9 HA ILE 76 - HG2 ARG 79 far 0 50 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 70 from cnoeabs.peaks (1.70, 1.51, 26.80 ppm; 3.04 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LEU 2 + HG LEU 2 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 52 - HG LEU 2 far 8 75 10 - 2.8-5.9 HD2 ARG 81 - HG3 ARG 79 far 3 65 5 - 3.9-10.4 HD2 ARG 81 - HG2 ARG 79 far 0 67 0 - 4.2-10.7 HB3 LYS 53 - HG2 ARG 79 far 0 77 0 - 4.5-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 5.0-9.0 HD2 LYS 47 - HG LEU 2 far 0 91 0 - 5.7-12.1 HB3 LYS 53 - HG LEU 2 far 0 96 0 - 5.8-8.5 HD3 LYS 47 - HG LEU 2 far 0 92 0 - 6.2-12.9 HB3 LYS 40 - HG3 ARG 30 far 0 47 0 - 7.7-11.6 HB3 LYS 40 - HG LEU 6 far 0 77 0 - 8.7-11.0 HB3 LYS 53 - HG LEU 6 far 0 79 0 - 9.1-11.3 HD2 LYS 33 - HG3 ARG 30 far 0 43 0 - 9.3-12.4 HB3 LEU 70 - HG LEU 6 far 0 81 0 - 9.5-11.3 HG12 ILE 15 - HG LEU 6 far 0 85 0 - 9.6-11.7 HG12 ILE 15 - HG3 ARG 30 far 0 53 0 - 9.6-10.9 HD3 LYS 47 - HG3 ARG 30 far 0 46 0 - 10.0-17.2 Violated in 0 structures by 0.00 A. Peak 71 from cnoeabs.peaks (1.33, 1.51, 26.80 ppm; 2.98 A): 4 out of 28 assignments used, quality = 1.00: * HB3 LEU 2 + HG LEU 2 OK 99 100 100 99 2.3-3.0 3.0=99 HB3 ARG 30 + HG3 ARG 30 OK 27 27 100 100 2.4-3.0 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 OK 24 47 65 78 2.8-5.0 ~8717=25, 1.8/1325=16...(15) HG2 ARG 30 - HG LEU 6 far 0 45 0 - 4.6-7.7 HG LEU 3 - HG LEU 2 far 0 70 0 - 4.8-6.8 HG3 LYS 40 - HG3 ARG 30 far 0 40 0 - 6.2-12.1 QB ALA 67 - HG LEU 6 far 0 86 0 - 6.5-8.2 HG12 ILE 8 - HG LEU 6 far 0 60 0 - 6.8-7.5 QB ALA 67 - HG2 ARG 79 far 0 84 0 - 6.9-9.7 HG3 LYS 68 - HG3 ARG 79 far 0 75 0 - 7.2-13.2 HB3 LEU 42 - HG LEU 6 far 0 60 0 - 7.5-9.8 HB3 LEU 27 - HG LEU 2 far 0 99 0 - 7.5-10.3 HG3 LYS 40 - HG LEU 6 far 0 67 0 - 7.8-11.9 HG3 LYS 68 - HG2 ARG 79 far 0 77 0 - 8.0-12.4 QB ALA 67 - HG3 ARG 79 far 0 82 0 - 8.1-9.9 HG LEU 3 - HG2 ARG 79 far 0 52 0 - 8.3-12.8 HB3 LEU 27 - HG3 ARG 30 far 0 52 0 - 8.4-11.9 HG LEU 3 - HG3 ARG 79 far 0 50 0 - 8.4-13.6 HB3 LEU 27 - HG LEU 6 far 0 83 0 - 8.6-9.9 HG12 ILE 8 - HG3 ARG 30 far 0 36 0 - 9.3-10.9 QB ALA 89 - HG2 ARG 79 far 0 83 0 - 9.3-11.9 QB ALA 89 - HG3 ARG 79 far 0 81 0 - 9.3-12.6 QB ALA 89 - HG LEU 6 far 0 86 0 - 9.4-10.8 HB2 LYS 82 - HG2 ARG 79 far 0 81 0 - 9.5-13.0 HB2 LEU 70 - HG LEU 6 far 0 50 0 - 9.7-11.2 HG2 LYS 39 - HG LEU 6 far 0 82 0 - 9.9-11.8 HB2 LYS 82 - HG3 ARG 79 far 0 79 0 - 9.9-13.1 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): 2 out of 44 assignments used, quality = 1.00: * QD2 LEU 2 + HG LEU 2 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 6 + HG LEU 6 OK 47 47 100 100 2.1-2.1 2.1=100 QD2 LEU 38 - HG LEU 6 far 4 81 5 - 3.9-7.7 QG2 VAL 32 - HG LEU 6 far 0 71 0 - 3.9-4.5 QG2 ILE 52 - HG LEU 2 far 0 77 0 - 4.2-6.1 QD2 LEU 57 - HG2 ARG 79 far 0 79 0 - 4.6-8.1 QD2 LEU 57 - HG3 ARG 79 far 0 77 0 - 4.9-8.7 QG2 VAL 32 - HG3 ARG 30 far 0 43 0 - 5.0-6.5 QD1 LEU 57 - HG2 ARG 79 far 0 74 0 - 5.1-8.8 QD1 LEU 6 - HG3 ARG 30 far 0 27 0 - 5.1-6.6 QD2 LEU 57 - HG LEU 6 far 0 82 0 - 5.1-7.5 QD2 LEU 103 - HG3 ARG 79 far 0 73 0 - 5.2-11.6 QD1 LEU 57 - HG3 ARG 79 far 0 71 0 - 5.2-9.2 QD2 LEU 103 - HG2 ARG 79 far 0 75 0 - 5.9-12.4 QG2 ILE 7 - HG LEU 6 far 0 84 0 - 6.1-6.9 QG2 ILE 7 - HG3 ARG 30 far 0 52 0 - 6.8-7.7 QD1 LEU 57 - HG LEU 6 far 0 76 0 - 6.8-9.6 QG2 ILE 52 - HG2 ARG 79 far 0 58 0 - 6.9-10.8 QG2 ILE 15 - HG3 ARG 30 far 0 55 0 - 7.2-8.7 QD2 LEU 38 - HG3 ARG 30 far 0 50 0 - 7.2-11.4 QD1 LEU 6 - HG2 ARG 79 far 0 45 0 - 7.3-11.2 QD1 ILE 93 - HG LEU 6 far 0 45 0 - 7.4-9.2 QG2 ILE 52 - HG LEU 6 far 0 60 0 - 7.4-10.2 QD1 ILE 76 - HG LEU 6 far 0 85 0 - 7.6-9.0 QG2 ILE 52 - HG3 ARG 79 far 0 57 0 - 7.9-10.6 QD1 LEU 6 - HG3 ARG 79 far 0 44 0 - 8.2-10.8 QG2 ILE 15 - HG LEU 6 far 0 87 0 - 8.3-9.8 QD1 LEU 70 - HG LEU 6 far 0 85 0 - 8.3-11.3 QD2 LEU 38 - HG2 ARG 79 far 0 78 0 - 8.3-13.6 QG2 ILE 8 - HG LEU 6 far 0 72 0 - 8.4-8.9 QD1 ILE 93 - HG2 ARG 79 far 0 44 0 - 8.5-10.7 QD1 ILE 76 - HG LEU 2 far 0 99 0 - 8.5-11.0 QD1 ILE 93 - HG3 ARG 79 far 0 42 0 - 8.6-11.7 QD2 LEU 2 - HG2 ARG 79 far 0 84 0 - 8.7-12.5 QD2 LEU 57 - HG3 ARG 30 far 0 51 0 - 8.9-10.9 QD1 ILE 93 - HG3 ARG 30 far 0 26 0 - 8.9-10.7 QD1 ILE 76 - HG2 ARG 79 far 0 82 0 - 9.3-12.3 QD1 LEU 6 - HG LEU 2 far 0 61 0 - 9.4-11.4 QD2 LEU 2 - HG3 ARG 79 far 0 82 0 - 9.4-12.5 QD2 LEU 2 - HG LEU 6 far 0 87 0 - 9.4-11.3 QG2 ILE 52 - HG3 ARG 30 far 0 36 0 - 9.5-13.3 QD2 LEU 38 - HG3 ARG 79 far 0 76 0 - 9.7-13.2 QD1 ILE 76 - HG3 ARG 30 far 0 53 0 - 9.7-11.9 QD2 LEU 70 - HG LEU 6 far 0 87 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 74 from cnoeabs.peaks (0.88, 1.51, 26.80 ppm; 3.25 A): 1 out of 20 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 far 4 75 5 - 4.1-12.6 QD1 LEU 103 - HG3 ARG 79 far 4 73 5 - 3.8-12.6 QD1 LEU 38 - HG LEU 6 far 0 72 0 - 4.6-8.0 QG1 VAL 32 - HG LEU 6 far 0 68 0 - 6.1-6.8 HG13 ILE 8 - HG LEU 6 far 0 86 0 - 6.6-8.4 QG2 ILE 76 - HG LEU 2 far 0 100 0 - 6.9-9.2 QG2 ILE 76 - HG2 ARG 79 far 0 84 0 - 7.0-10.1 QG1 VAL 32 - HG3 ARG 30 far 0 41 0 - 7.1-9.0 QG2 ILE 76 - HG LEU 6 far 0 87 0 - 7.3-8.8 QD1 LEU 38 - HG3 ARG 30 far 0 44 0 - 7.8-11.2 QD1 LEU 38 - HG2 ARG 79 far 0 70 0 - 8.2-13.7 QG2 ILE 76 - HG3 ARG 79 far 0 82 0 - 8.4-9.8 QD2 LEU 64 - HG2 ARG 79 far 0 72 0 - 8.6-10.8 QD2 LEU 64 - HG3 ARG 79 far 0 70 0 - 8.6-11.0 HG13 ILE 7 - HG LEU 6 far 0 83 0 - 9.0-9.5 QD1 LEU 38 - HG3 ARG 79 far 0 68 0 - 9.6-13.0 HG13 ILE 8 - HG2 ARG 79 far 0 84 0 - 9.9-16.5 QD1 LEU 2 - HG LEU 6 far 0 87 0 - 9.9-12.3 QD1 LEU 2 - HG3 ARG 30 far 0 55 0 - 10.0-13.4 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 3 assignments used, quality = 1.00: * H LEU 3 + HG LEU 2 OK 100 100 100 100 3.5-5.0 83/2.1=96, 6018/3.7=91...(11) H TYR 41 - HG LEU 6 far 0 73 0 - 6.4-7.1 H TYR 41 - HG3 ARG 30 far 0 45 0 - 6.7-9.4 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 10 assignments used, quality = 1.00: * H LEU 2 + QD2 LEU 2 OK 100 100 100 100 1.7-2.0 4.7=100 H ASN 51 + QD2 LEU 2 OK 84 85 100 99 2.9-6.0 4.0/9116=58...(16) H GLN 50 + QD2 LEU 2 OK 55 59 100 92 3.7-5.6 5.1/9098=35, 4.0/8058=30...(15) H ARG 79 - QD2 LEU 103 far 3 55 5 - 6.1-14.2 H ASN 51 - QD2 LEU 103 far 2 43 5 - 5.5-16.2 H VAL 54 - QD2 LEU 2 far 0 93 0 - 6.4-7.5 H VAL 54 - QD2 LEU 103 far 0 49 0 - 8.0-14.5 H GLN 50 - QD2 LEU 103 far 0 27 0 - 8.6-17.9 H ARG 79 - QD2 LEU 2 far 0 99 0 - 9.0-10.8 H LEU 2 - QD2 LEU 103 far 0 57 0 - 9.7-16.6 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 3.4-3.5 49=88, 6018/83=38...(12) HA GLU 48 - QD2 LEU 2 far 0 68 0 - 4.6-6.4 HA ILE 76 - QD2 LEU 103 far 0 32 0 - 7.5-17.4 HA ILE 76 - QD2 LEU 2 far 0 68 0 - 8.1-10.0 Violated in 20 structures by 0.25 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 2.4-3.2 3.1=100 HB ILE 52 + QD2 LEU 2 OK 74 75 100 98 1.9-3.7 3.0/12040=51, ~12039=26...(29) HB3 LYS 53 - QD2 LEU 2 far 0 96 0 - 4.7-5.6 HD2 LYS 47 - QD2 LEU 2 far 0 91 0 - 5.6-10.6 HD2 ARG 81 - QD2 LEU 103 far 0 44 0 - 6.3-14.3 HD3 LYS 47 - QD2 LEU 2 far 0 92 0 - 6.4-11.4 HB ILE 52 - QD2 LEU 103 far 0 36 0 - 7.8-16.0 HB3 LYS 53 - QD2 LEU 103 far 0 51 0 - 8.0-13.0 Violated in 0 structures by 0.00 A. Peak 79 from cnoeabs.peaks (1.33, 0.81, 23.49 ppm; 3.21 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 2 + QD2 LEU 2 OK 100 100 100 100 2.4-3.2 3.1=100 HG LEU 3 - QD2 LEU 2 poor 12 70 30 56 4.0-4.7 5.0/83=22, 47/77=16...(10) HB3 LEU 27 - QD2 LEU 2 far 0 99 0 - 6.6-8.8 HG3 LYS 68 - QD2 LEU 103 far 0 51 0 - 6.9-17.8 QB ALA 25 - QD2 LEU 2 far 0 100 0 - 8.3-9.9 QB ALA 67 - QD2 LEU 103 far 0 57 0 - 9.0-16.9 HG2 LYS 94 - QD2 LEU 103 far 0 56 0 - 9.6-17.5 HB3 LEU 42 - QD2 LEU 2 far 0 77 0 - 9.7-11.7 HG2 ARG 30 - QD2 LEU 2 far 0 59 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 80 from cnoeabs.peaks (1.51, 0.81, 23.49 ppm; 3.00 A): 2 out of 13 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 56 56 100 100 2.1-3.2 3.1=89, 4493/2.1=62...(19) HD3 LYS 53 - QD2 LEU 2 far 0 63 0 - 5.1-7.3 HG3 ARG 79 - QD2 LEU 103 far 0 48 0 - 5.2-11.6 HB2 LEU 3 - QD2 LEU 2 far 0 61 0 - 5.3-6.0 HG2 LYS 47 - QD2 LEU 2 far 0 87 0 - 5.5-10.0 HG2 ARG 79 - QD2 LEU 103 far 0 49 0 - 5.9-12.4 HD3 LYS 53 - QD2 LEU 103 far 0 30 0 - 6.4-10.9 HG2 ARG 79 - QD2 LEU 2 far 0 93 0 - 8.7-12.5 HG12 ILE 56 - QD2 LEU 103 far 0 51 0 - 9.3-18.4 HG3 ARG 79 - QD2 LEU 2 far 0 92 0 - 9.4-12.5 HG LEU 6 - QD2 LEU 2 far 0 99 0 - 9.4-11.3 HG LEU 64 - QD2 LEU 103 far 0 32 0 - 10.0-20.4 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 9 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 - 5.6-7.4 QG2 ILE 76 - QD2 LEU 103 far 0 57 0 - 6.9-14.4 QD2 LEU 64 - QD2 LEU 103 far 0 48 0 - 8.3-16.5 QD1 LEU 103 - QD2 LEU 2 far 0 94 0 - 8.5-14.2 QD1 LEU 2 - QD2 LEU 103 far 0 57 0 - 9.0-15.0 QD1 LEU 38 - QD2 LEU 2 far 0 90 0 - 10.0-13.8 QD1 LEU 38 - QD2 LEU 103 far 0 46 0 - 10.0-18.6 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 1 assignment used, quality = 0.99: * H LEU 3 + QD2 LEU 2 OK 99 100 100 99 3.6-4.4 6022=87, 6018/77=72...(11) Violated in 10 structures by 0.14 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 2.0-4.1 4.7=97, 6012/2.1=82...(10) H GLN 50 + QD1 LEU 2 OK 42 59 75 95 4.0-6.3 4.0/10629=49...(12) H ASN 51 + QD1 LEU 2 OK 25 85 30 97 3.8-6.6 4.0/10631=43...(14) H ARG 79 - QD1 LEU 103 far 3 62 5 - 4.7-15.0 H VAL 54 - QD1 LEU 103 far 0 55 0 - 6.6-15.8 H ASN 51 - QD1 LEU 103 far 0 49 0 - 6.9-16.2 H VAL 54 - QD1 LEU 2 far 0 93 0 - 7.6-9.4 H GLN 50 - QD1 LEU 103 far 0 31 0 - 9.9-18.3 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 3.1-4.1 4.0=100 HA GLU 48 + QD1 LEU 2 OK 56 68 85 97 3.8-6.2 3.0/9038=49, 4.1/9042=44...(14) HA ILE 76 - QD1 LEU 103 far 0 36 0 - 8.4-18.3 HA ILE 76 - QD1 LEU 2 far 0 68 0 - 9.0-11.8 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 8 assignments used, quality = 1.00: * HB2 LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.1-3.2 3.1=100 HB ILE 52 + QD1 LEU 2 OK 37 75 50 98 2.5-5.6 3.0/12039=49, 78/2.1=27...(25) HD2 LYS 47 - QD1 LEU 2 far 0 91 0 - 6.1-11.0 HD2 ARG 81 - QD1 LEU 103 far 0 50 0 - 6.3-15.0 HD3 LYS 47 - QD1 LEU 2 far 0 92 0 - 6.7-9.7 HB3 LYS 53 - QD1 LEU 2 far 0 96 0 - 6.8-7.7 HB3 LYS 53 - QD1 LEU 103 far 0 58 0 - 6.8-14.0 HB ILE 52 - QD1 LEU 103 far 0 41 0 - 8.8-17.3 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 11 assignments used, quality = 1.00: * HB3 LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 3 - QD1 LEU 2 far 0 70 0 - 5.4-6.1 HB3 LEU 27 - QD1 LEU 2 far 0 99 0 - 7.6-9.5 HG3 LYS 68 - QD1 LEU 103 far 0 58 0 - 7.8-18.4 HG2 LYS 94 - QD1 LEU 103 far 0 64 0 - 7.9-18.6 QB ALA 25 - QD1 LEU 2 far 0 100 0 - 8.9-10.6 QB ALA 67 - QD1 LEU 103 far 0 64 0 - 9.0-17.9 HG LEU 3 - QD1 LEU 103 far 0 38 0 - 9.1-15.3 HG2 ARG 30 - QD1 LEU 2 far 0 59 0 - 9.2-13.8 QB ALA 25 - QD1 LEU 103 far 0 64 0 - 9.6-15.3 HB3 LEU 42 - QD1 LEU 2 far 0 77 0 - 9.9-12.9 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 12 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 63 63 100 100 2.1-3.2 3.1=86, 4493/2.1=61...(20) HG3 ARG 79 - QD1 LEU 103 far 3 54 5 - 3.8-12.6 HG2 ARG 79 - QD1 LEU 103 far 0 55 0 - 4.1-12.6 HD3 LYS 53 - QD1 LEU 103 far 0 34 0 - 4.7-11.9 HG2 LYS 47 - QD1 LEU 2 far 0 87 0 - 5.3-10.0 HB2 LEU 3 - QD1 LEU 2 far 0 61 0 - 6.6-7.3 HD3 LYS 53 - QD1 LEU 2 far 0 63 0 - 7.4-9.3 HG12 ILE 56 - QD1 LEU 103 far 0 58 0 - 8.4-19.0 HB2 ARG 91 - QD1 LEU 103 far 0 44 0 - 9.1-20.3 HG LEU 6 - QD1 LEU 2 far 0 99 0 - 9.9-12.3 HG3 ARG 30 - QD1 LEU 2 far 0 96 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 89 from cnoeabs.peaks (0.81, 0.88, 24.80 ppm; 2.78 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 2 + QD1 LEU 2 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 103 + QD1 LEU 103 OK 56 56 100 100 1.9-2.1 2.1=100 QG2 ILE 52 - QD1 LEU 2 far 4 77 5 - 3.6-5.8 QD1 ILE 76 - QD1 LEU 2 far 0 99 0 - 6.9-10.5 QG2 ILE 52 - QD1 LEU 103 far 0 43 0 - 7.5-14.4 QD1 LEU 57 - QD1 LEU 103 far 0 55 0 - 7.7-15.5 QD2 LEU 57 - QD1 LEU 103 far 0 60 0 - 8.5-15.4 QD2 LEU 2 - QD1 LEU 103 far 0 65 0 - 8.5-14.2 QD1 LEU 6 - QD1 LEU 2 far 0 61 0 - 8.6-11.1 QD2 LEU 103 - QD1 LEU 2 far 0 94 0 - 9.0-15.0 QD1 ILE 76 - QD1 LEU 103 far 0 63 0 - 9.6-17.9 QD1 LEU 6 - QD1 LEU 103 far 0 33 0 - 10.0-18.7 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 1 assignment used, quality = 1.00: * H LEU 3 + QD1 LEU 2 OK 100 100 100 100 4.3-4.8 5.0=100 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 1 assignment used, quality = 1.00: * H LEU 3 + HA LEU 3 OK 100 100 100 100 2.9-2.9 3.0=100 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 2.4-3.0 3.0=100 HG LEU 2 + HA LEU 3 OK 28 61 50 93 3.5-5.9 ~83=37, ~6022=35, ~67=28...(13) HD3 LYS 53 - HA LEU 3 far 5 100 5 - 5.0-6.8 HB3 GLU 28 - HA LEU 3 far 0 99 0 - 5.5-6.9 HG2 ARG 79 - HA LEU 3 far 0 93 0 - 7.5-11.7 HG3 ARG 79 - HA LEU 3 far 0 94 0 - 8.1-12.2 HG LEU 6 - HA LEU 3 far 0 81 0 - 8.7-9.6 HG12 ILE 56 - HA LEU 3 far 0 90 0 - 9.8-11.7 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 2.3-3.0 3.0=100 HB2 LEU 29 - HA LEU 3 far 0 99 0 - 9.1-9.9 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 2 assignments used, quality = 1.00: * HG LEU 3 + HA LEU 3 OK 100 100 100 100 2.4-3.2 3.7=100 HB3 LEU 2 + HA LEU 3 OK 59 70 85 99 4.1-5.7 67/3.0=42, ~6018=38...(18) 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 2.1-3.4 125=100, 6037/99=46...(22) 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 3.6-4.0 3.9=100 QD1 LEU 55 - HA LEU 3 far 0 82 0 - 7.5-9.2 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 2.2-2.4 3.6=73, 6035/3.0=36...(22) 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 2.8-3.9 4.0=100 H ASN 26 - HB2 LEU 3 far 0 100 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 101 from cnoeabs.peaks (5.13, 1.55, 44.04 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB2 LEU 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA TYR 4 + HB2 LEU 3 OK 96 96 100 100 4.3-4.8 3.0/6034=62, 8135=48...(21) HA VAL 54 - HB2 LEU 3 poor 15 75 20 - 4.0-6.7 HA VAL 5 - HB2 LEU 3 far 0 90 0 - 6.2-7.5 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 - 7.6-8.6 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 2.5-3.0 3.0=100 HB3 LEU 2 - HB2 LEU 3 far 0 70 0 - 5.3-7.5 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 2.0-3.2 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 2.0-3.1 3.1=100 QD1 LEU 55 - HB2 LEU 3 far 0 82 0 - 6.9-9.1 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 2.4-4.1 4.4=100 H ILE 93 - HB2 LEU 3 far 0 100 0 - 9.5-11.7 H GLU 95 - HB2 LEU 3 far 0 100 0 - 9.7-11.0 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 2.7-3.9 4.0=100 H ASN 26 - HB3 LEU 3 far 0 100 0 - 7.9-10.3 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 2.3-3.0 3.0=100 HA TYR 4 + HB3 LEU 3 OK 96 96 100 99 4.4-4.7 3.0/6035=62, ~6034=41...(19) HA VAL 54 + HB3 LEU 3 OK 23 75 45 69 4.4-6.8 10203/6035=31...(11) HA VAL 5 - HB3 LEU 3 far 0 90 0 - 6.2-7.6 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 8 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 0 100 0 - 4.4-7.8 HB3 GLU 28 - HB3 LEU 3 far 0 99 0 - 5.2-7.6 HG LEU 2 - HB3 LEU 3 far 0 61 0 - 5.7-8.0 HG2 ARG 79 - HB3 LEU 3 far 0 93 0 - 6.8-12.5 HG3 ARG 79 - HB3 LEU 3 far 0 94 0 - 7.0-13.4 HG LEU 6 - HB3 LEU 3 far 0 81 0 - 9.1-10.5 HG12 ILE 56 - HB3 LEU 3 far 0 90 0 - 9.7-12.6 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 2.5-3.0 3.0=100 HB3 LEU 2 - HB3 LEU 3 far 0 70 0 - 5.4-7.3 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 1.9-3.2 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 2.0-3.0 3.1=100 QD1 LEU 55 - HB3 LEU 3 far 0 82 0 - 6.3-9.6 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 2.4-3.8 4.4=100 H ILE 93 - HB3 LEU 3 far 0 100 0 - 9.3-11.6 H GLU 95 - HB3 LEU 3 far 0 100 0 - 9.6-11.4 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 2.7-3.7 132/2.1=67, 6027=60...(13) H ASN 26 - HG LEU 3 far 0 100 0 - 9.0-11.3 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 2.4-3.2 3.7=100 HA VAL 54 - HG LEU 3 far 0 75 0 - 6.1-7.9 HA TYR 4 - HG LEU 3 far 0 96 0 - 6.4-6.6 HA VAL 5 - HG LEU 3 far 0 90 0 - 8.7-9.3 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 2.5-3.0 3.0=100 HD3 LYS 53 - HG LEU 3 far 15 100 15 - 3.6-7.0 HG LEU 2 - HG LEU 3 far 0 61 0 - 4.8-6.8 HB3 GLU 28 - HG LEU 3 far 0 99 0 - 7.0-8.4 HG2 ARG 79 - HG LEU 3 far 0 93 0 - 8.3-12.8 HG3 ARG 79 - HG LEU 3 far 0 94 0 - 8.4-13.6 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 2.5-3.0 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 - 8.3-10.5 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 4.3-5.1 6037/2.1=95, 99/3.7=86...(17) Violated in 4 structures by 0.01 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 3.8-4.7 6028=100, 116/2.1=86...(10) H ASN 26 - QD2 LEU 3 far 0 100 0 - 9.0-10.1 Violated in 4 structures by 0.01 A. Peak 125 from cnoeabs.peaks (5.13, 0.26, 24.15 ppm; 3.32 A): 1 out of 4 assignments used, quality = 0.99: * HA LEU 3 + QD2 LEU 3 OK 99 100 100 99 2.1-3.4 97=81, 99/6037=40...(22) HA VAL 54 - QD2 LEU 3 far 0 75 0 - 4.5-5.6 HA TYR 4 - QD2 LEU 3 far 0 96 0 - 5.5-5.9 HA VAL 5 - QD2 LEU 3 far 0 90 0 - 6.3-7.4 Violated in 1 structures by 0.01 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 2.0-3.2 3.1=100 HD3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.1-4.1 1.8/9192=56...(22) HG LEU 2 - QD2 LEU 3 far 3 61 5 - 4.5-7.2 HG3 ARG 79 - QD2 LEU 3 far 0 94 0 - 5.1-9.4 HG2 ARG 79 - QD2 LEU 3 far 0 93 0 - 5.2-8.7 HB3 GLU 28 - QD2 LEU 3 far 0 99 0 - 6.7-8.0 HB2 LEU 103 - QD2 LEU 3 far 0 73 0 - 7.3-13.1 HG LEU 103 - QD2 LEU 3 far 0 79 0 - 8.4-13.2 HB3 LEU 103 - QD2 LEU 3 far 0 77 0 - 8.4-13.1 HG LEU 6 - QD2 LEU 3 far 0 81 0 - 8.8-9.8 HG12 ILE 56 - QD2 LEU 3 far 0 90 0 - 8.9-10.9 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 3 assignments used, quality = 1.00: * HB3 LEU 3 + QD2 LEU 3 OK 100 100 100 100 1.9-3.2 3.1=100 HB2 LEU 29 - QD2 LEU 3 far 0 99 0 - 8.5-9.5 HB2 LEU 6 - QD2 LEU 3 far 0 77 0 - 9.4-11.7 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 - 5.0-6.9 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 - 5.5-7.4 HG2 ARG 81 - QD2 LEU 3 far 0 68 0 - 8.8-12.2 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 3.3-4.0 6037=100, 99/125=73...(18) H GLU 95 - QD2 LEU 3 far 0 100 0 - 8.1-9.6 H ILE 93 - QD2 LEU 3 far 0 100 0 - 8.7-10.4 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 2.6-4.2 6029=90, 116/2.1=75...(14) H ASN 26 - QD1 LEU 3 far 0 100 0 - 6.9-7.9 Violated in 10 structures by 0.02 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 3.6-4.0 3.9=100 HA TYR 4 - QD1 LEU 3 far 0 96 0 - 5.7-6.1 HA VAL 54 - QD1 LEU 3 far 0 75 0 - 6.1-7.0 HA VAL 5 - QD1 LEU 3 far 0 90 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 134 from cnoeabs.peaks (1.55, 0.46, 24.71 ppm; 3.55 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 3 + QD1 LEU 3 OK 100 100 100 100 2.0-3.1 3.1=100 HD3 LYS 53 + QD1 LEU 3 OK 24 100 25 98 3.9-6.6 9193/2.1=38, ~9192=37...(21) HG LEU 2 - QD1 LEU 3 far 0 61 0 - 5.1-7.7 HB3 GLU 28 - QD1 LEU 3 far 0 99 0 - 6.5-7.9 HG3 ARG 79 - QD1 LEU 3 far 0 94 0 - 6.8-10.8 HG2 ARG 79 - QD1 LEU 3 far 0 93 0 - 7.2-10.0 HB2 LEU 103 - QD1 LEU 3 far 0 73 0 - 8.5-14.4 HG LEU 103 - QD1 LEU 3 far 0 79 0 - 9.5-14.5 HB3 LEU 103 - QD1 LEU 3 far 0 77 0 - 9.7-14.4 HG2 LYS 24 - QD1 LEU 3 far 0 71 0 - 9.7-12.6 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 2.0-3.0 3.1=100 HB2 LEU 29 - QD1 LEU 3 far 0 99 0 - 7.9-9.2 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 - 5.0-6.1 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 4.5-5.2 5.0=100 H GLU 95 - QD1 LEU 3 far 0 100 0 - 7.2-9.2 H ILE 93 - QD1 LEU 3 far 0 100 0 - 8.1-10.2 Violated in 1 structures by 0.00 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 2.5-3.0 3.0=100 HB2 TYR 41 - HA TYR 4 far 0 88 0 - 7.8-9.7 HG2 GLU 23 - HA TYR 4 far 0 91 0 - 9.0-11.3 HB2 GLU 48 - HA TYR 4 far 0 100 0 - 9.8-12.0 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 2.3-3.0 3.0=100 HG3 GLU 48 - HA TYR 4 far 0 79 0 - 8.9-11.6 HG3 GLU 23 - HA TYR 4 far 0 73 0 - 9.6-11.3 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 2.3-3.2 3.7=100 QE TYR 4 + HA TYR 4 OK 92 98 100 94 4.6-4.8 5.7=38, 8126/3.0=31...(13) 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...(17) H LEU 57 - HA TYR 4 far 0 99 0 - 9.6-10.7 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 2.6-3.9 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 5 assignments used, quality = 1.00: * HA TYR 4 + HB2 TYR 4 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 54 + HB2 TYR 4 OK 95 96 100 100 2.6-4.3 3.2/9239=57, 10204=52...(25) HA LEU 3 + HB2 TYR 4 OK 65 96 75 90 4.5-5.6 99/3.8=55, 8062/2.5=18...(18) HA VAL 5 + HB2 TYR 4 OK 62 63 100 98 4.2-4.6 3.0/6048=51, ~6049=38...(19) HA ILE 7 - HB2 TYR 4 far 0 98 0 - 9.9-10.9 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 - 7.8-11.1 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 2.3-2.5 2.5=100 QE TYR 4 + HB2 TYR 4 OK 91 98 100 93 4.4-4.4 4.4=66, 158/1.8=36...(13) 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 2.3-3.7 4.6=100 H ASP 77 - HB2 TYR 4 far 0 79 0 - 8.6-10.9 H LEU 57 - HB2 TYR 4 far 0 99 0 - 8.8-10.0 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 2.7-3.9 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 2.3-3.0 3.0=100 HA VAL 54 + HB3 TYR 4 OK 95 96 100 99 2.6-4.6 10204/1.8=47...(24) HA VAL 5 + HB3 TYR 4 OK 61 63 100 97 4.3-4.6 3.0/6049=57, ~6048=33...(19) HA LEU 3 - HB3 TYR 4 poor 19 96 20 - 4.4-5.7 HA ILE 7 - HB3 TYR 4 far 0 98 0 - 9.6-10.8 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 3 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 - 5.4-7.9 HB2 GLU 48 - HB3 TYR 4 far 0 100 0 - 8.8-11.7 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 88 98 100 90 4.4-4.5 4.4=63, 151/1.8=35...(9) 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 2.3-3.8 6049=100, 146/3.0=85...(14) H ASP 77 - HB3 TYR 4 far 0 79 0 - 8.9-11.5 H LEU 57 - HB3 TYR 4 far 0 99 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 161 from cnoeabs.peaks (8.92, 5.11, 59.85 ppm; 4.33 A): 1 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 far 5 99 5 - 5.1-6.3 H ARG 19 - HA VAL 5 far 0 94 0 - 9.5-10.8 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): 1 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 far 13 87 15 - 4.9-5.6 HB3 LEU 57 - HA VAL 5 far 0 63 0 - 6.1-7.3 HB2 LYS 53 - HA VAL 5 far 0 92 0 - 7.1-8.1 HG LEU 42 - HA VAL 5 far 0 68 0 - 7.8-9.8 HB2 ARG 19 - HA VAL 5 far 0 75 0 - 9.3-11.7 HB ILE 8 - HA VAL 5 far 0 70 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 164 from cnoeabs.peaks (0.73, 5.11, 59.85 ppm; 3.41 A): 2 out of 17 assignments used, quality = 1.00: * QG1 VAL 5 + HA VAL 5 OK 100 100 100 100 2.2-2.4 3.2=100 QG1 VAL 54 + HA VAL 5 OK 57 68 100 85 2.3-3.2 4.1/9295=36, 12127=20...(14) QD2 LEU 6 - HA VAL 5 poor 14 57 25 - 3.5-5.6 QD1 ILE 56 - HA VAL 5 far 5 93 5 - 3.9-6.8 HG13 ILE 56 - HA VAL 5 far 0 98 0 - 4.4-7.3 QG1 VAL 78 - HA VAL 5 far 0 93 0 - 5.1-7.9 QG2 ILE 93 - HA VAL 5 far 0 87 0 - 5.2-6.4 QG2 VAL 78 - HA VAL 5 far 0 100 0 - 5.5-8.3 HG13 ILE 93 - HA VAL 5 far 0 95 0 - 5.5-8.2 QD2 LEU 27 - HA VAL 5 far 0 100 0 - 6.3-7.7 QD1 ILE 8 - HA VAL 5 far 0 95 0 - 7.0-8.9 QD1 ILE 52 - HA VAL 5 far 0 73 0 - 7.9-9.4 QD1 LEU 42 - HA VAL 5 far 0 61 0 - 8.0-9.8 QG1 VAL 58 - HA VAL 5 far 0 100 0 - 8.1-8.9 HG3 ARG 81 - HA VAL 5 far 0 98 0 - 8.2-11.5 QD2 LEU 14 - HA VAL 5 far 0 94 0 - 9.4-9.9 QD1 LEU 64 - HA VAL 5 far 0 96 0 - 9.9-10.8 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 2.2-2.5 3.2=100 HG LEU 55 + HA VAL 5 OK 28 94 30 98 3.8-5.1 3.0/8189=45, 2.1/9261=33...(20) QG2 THR 80 - HA VAL 5 far 0 70 0 - 7.6-8.6 HB2 ARG 81 - HA VAL 5 far 0 97 0 - 8.6-11.2 QG2 VAL 83 - HA VAL 5 far 0 95 0 - 8.9-9.9 QG1 VAL 32 - HA VAL 5 far 0 57 0 - 8.9-9.6 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 2.1-2.3 6059=100, 178/3.2=42...(21) 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...(15) H LEU 57 - HB VAL 5 far 0 99 0 - 6.6-7.4 H ARG 19 - HB VAL 5 far 0 94 0 - 7.1-8.1 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 59 63 100 92 4.3-4.8 3.6/6053=68, 8140/2.1=37...(10) HA ILE 7 - HB VAL 5 far 0 85 0 - 6.6-7.6 HA LEU 3 - HB VAL 5 far 0 90 0 - 7.7-8.5 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): 2 out of 17 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 38 87 55 80 3.6-4.8 10322/2.1=41, ~10198=19...(15) HG13 ILE 93 - HB VAL 5 poor 16 95 25 68 3.6-6.3 ~10198=29, ~10322=20...(8) QG1 VAL 54 - HB VAL 5 far 0 68 0 - 4.6-5.6 QD2 LEU 6 - HB VAL 5 far 0 57 0 - 4.7-6.1 QD2 LEU 27 - HB VAL 5 far 0 100 0 - 5.8-6.9 QD1 ILE 56 - HB VAL 5 far 0 93 0 - 6.2-9.2 HG13 ILE 56 - HB VAL 5 far 0 98 0 - 7.0-9.9 QG1 VAL 78 - HB VAL 5 far 0 93 0 - 7.6-10.4 QG2 VAL 78 - HB VAL 5 far 0 100 0 - 8.0-10.7 QD1 ILE 8 - HB VAL 5 far 0 95 0 - 8.1-10.3 QD2 LEU 14 - HB VAL 5 far 0 94 0 - 8.6-9.3 HG13 ILE 15 - HB VAL 5 far 0 81 0 - 9.0-10.7 QD1 ILE 52 - HB VAL 5 far 0 73 0 - 9.3-10.8 QG1 VAL 58 - HB VAL 5 far 0 100 0 - 9.4-10.2 QD1 ILE 15 - HB VAL 5 far 0 71 0 - 9.4-10.4 HG3 ARG 81 - HB VAL 5 far 0 98 0 - 9.7-13.3 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 - 5.1-7.0 QG2 VAL 83 - HB VAL 5 far 0 95 0 - 8.8-9.9 QG1 VAL 32 - HB VAL 5 far 0 57 0 - 9.7-10.6 QG2 THR 80 - HB VAL 5 far 0 70 0 - 9.7-10.6 HB2 ARG 81 - HB VAL 5 far 0 97 0 - 9.9-12.6 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 3.6-4.4 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 90 99 100 92 3.5-4.5 9333/178=48, 6935=28...(16) H ASP 77 - QG2 VAL 78 poor 16 53 30 - 3.7-6.3 H ARG 19 - QG1 VAL 5 far 0 94 0 - 5.7-7.2 H LEU 57 - QG2 VAL 78 far 0 72 0 - 6.2-8.6 H VAL 5 - QG2 VAL 78 far 0 76 0 - 7.2-9.7 Violated in 0 structures by 0.00 A. Peak 174 from cnoeabs.peaks (5.11, 0.73, 20.80 ppm; 3.43 A): 1 out of 8 assignments used, quality = 1.00: * HA VAL 5 + QG1 VAL 5 OK 100 100 100 100 2.2-2.4 3.2=100 HA ILE 7 - QG1 VAL 5 poor 20 85 40 58 4.0-4.9 3.0/10196=20...(11) HA TYR 4 - QG1 VAL 5 far 0 63 0 - 5.4-5.4 HA VAL 5 - QG2 VAL 78 far 0 76 0 - 5.5-8.3 HA LEU 3 - QG2 VAL 78 far 0 62 0 - 7.2-9.8 HA LEU 3 - QG1 VAL 5 far 0 90 0 - 7.5-8.0 HA TYR 4 - QG2 VAL 78 far 0 41 0 - 7.7-10.3 HA ILE 7 - QG2 VAL 78 far 0 58 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 175 from cnoeabs.peaks (1.86, 0.73, 20.80 ppm; 3.03 A): 2 out of 21 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 49 59 95 88 2.1-4.5 12126=32, 11104/2.1=28...(15) HB3 LEU 57 - QG1 VAL 5 poor 16 63 25 - 3.4-4.7 HG LEU 42 - QG2 VAL 78 far 0 44 0 - 4.1-5.7 HB2 LYS 68 - QG2 VAL 78 far 0 61 0 - 4.4-8.1 HB3 LYS 68 - QG2 VAL 78 far 0 73 0 - 4.6-8.7 HB2 LYS 53 - QG2 VAL 78 far 0 64 0 - 5.4-7.3 HB2 ARG 19 - QG1 VAL 5 far 0 75 0 - 6.1-8.1 HB VAL 54 - QG1 VAL 5 far 0 87 0 - 6.2-7.0 HG2 ARG 46 - QG2 VAL 78 far 0 42 0 - 6.2-10.4 HB3 LYS 90 - QG1 VAL 5 far 0 82 0 - 7.3-9.5 HB2 LYS 53 - QG1 VAL 5 far 0 92 0 - 7.3-8.6 HB ILE 8 - QG1 VAL 5 far 0 70 0 - 7.6-8.6 HB3 LEU 57 - QG2 VAL 78 far 0 41 0 - 7.8-10.7 HB VAL 5 - QG2 VAL 78 far 0 76 0 - 8.0-10.7 HG LEU 42 - QG1 VAL 5 far 0 68 0 - 8.2-10.0 HB3 LYS 39 - QG2 VAL 78 far 0 76 0 - 8.6-10.7 HB ILE 8 - QG2 VAL 78 far 0 45 0 - 8.6-11.3 HB2 LYS 20 - QG1 VAL 5 far 0 81 0 - 8.6-10.5 HB3 LYS 66 - QG2 VAL 78 far 0 76 0 - 8.7-11.4 HB3 GLU 104 - QG2 VAL 78 far 0 74 0 - 9.7-17.8 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 83 94 95 93 2.3-3.9 2.1/8195=43, ~8197=22...(25) QG2 THR 80 - QG2 VAL 78 poor 14 45 30 - 3.3-6.4 HG LEU 55 - QG2 VAL 78 far 0 66 0 - 5.6-8.2 QG2 VAL 83 - QG1 VAL 5 far 0 95 0 - 5.7-6.9 QG2 VAL 5 - QG2 VAL 78 far 0 76 0 - 6.1-8.7 HB2 ARG 81 - QG1 VAL 5 far 0 97 0 - 6.3-8.6 QG2 THR 80 - QG1 VAL 5 far 0 70 0 - 6.6-7.5 HB2 ARG 81 - QG2 VAL 78 far 0 70 0 - 7.3-10.9 QG1 VAL 32 - QG2 VAL 78 far 0 37 0 - 7.3-8.8 QG1 VAL 32 - QG1 VAL 5 far 0 57 0 - 7.6-8.4 QG2 VAL 83 - QG2 VAL 78 far 0 67 0 - 9.2-11.7 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 1.9-3.0 4.1=67, 6059/3.2=64...(18) H LEU 6 - QG2 VAL 78 far 0 76 0 - 5.3-8.0 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 2.7-3.3 6055=100, 6053/2.1=76...(14) H LEU 57 - QG2 VAL 5 far 0 99 0 - 5.6-7.0 H ARG 19 - QG2 VAL 5 far 0 94 0 - 7.4-8.1 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 2.2-2.5 3.2=100 HA TYR 4 + QG2 VAL 5 OK 49 63 100 78 3.1-3.6 3.6/6055=45, 8140=25...(12) HA LEU 3 - QG2 VAL 5 far 0 90 0 - 5.1-5.6 HA ILE 7 - QG2 VAL 5 far 0 85 0 - 6.5-7.5 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 HB3 LEU 57 - QG2 VAL 5 far 0 63 0 - 5.6-7.3 HB2 LYS 53 - QG2 VAL 5 far 0 92 0 - 5.8-6.9 HB VAL 54 - QG2 VAL 5 far 0 87 0 - 5.9-6.6 HB2 ARG 19 - QG2 VAL 5 far 0 75 0 - 7.3-9.0 HB3 LYS 90 - QG2 VAL 5 far 0 82 0 - 8.4-10.0 HG LEU 42 - QG2 VAL 5 far 0 68 0 - 8.9-10.5 HB2 LYS 20 - QG2 VAL 5 far 0 81 0 - 9.5-10.8 HB ILE 8 - QG2 VAL 5 far 0 70 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 182 from cnoeabs.peaks (0.73, 0.95, 22.19 ppm; 2.54 A): 3 out of 19 assignments used, quality = 1.00: * QG1 VAL 5 + QG2 VAL 5 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 93 + QG2 VAL 5 OK 61 87 100 71 2.2-3.1 10322=24, 3.2/8176=14...(17) HG13 ILE 93 + QG2 VAL 5 OK 21 95 35 62 2.4-5.2 3.2/10322=22, ~10198=16...(12) QD2 LEU 27 - QG2 VAL 5 far 0 100 0 - 3.6-4.9 QG1 VAL 54 - QG2 VAL 5 far 0 68 0 - 3.7-4.4 QD2 LEU 6 - QG2 VAL 5 far 0 57 0 - 4.7-6.4 QD1 ILE 56 - QG2 VAL 5 far 0 93 0 - 5.3-7.6 QG1 VAL 78 - QG2 VAL 5 far 0 93 0 - 5.7-8.1 HG13 ILE 56 - QG2 VAL 5 far 0 98 0 - 6.0-8.2 QG2 VAL 78 - QG2 VAL 5 far 0 100 0 - 6.1-8.7 HG3 ARG 81 - QG2 VAL 5 far 0 98 0 - 6.4-10.6 QD1 ILE 52 - QG2 VAL 5 far 0 73 0 - 7.3-8.5 QD1 ILE 8 - QG2 VAL 5 far 0 95 0 - 7.4-9.2 QD2 LEU 14 - QG2 VAL 5 far 0 94 0 - 7.8-8.7 QG1 VAL 58 - QG2 VAL 5 far 0 100 0 - 8.1-9.2 QD1 LEU 42 - QG2 VAL 5 far 0 61 0 - 8.6-10.1 QD1 ILE 15 - QG2 VAL 5 far 0 71 0 - 9.2-10.1 HG13 ILE 15 - QG2 VAL 5 far 0 81 0 - 9.2-10.6 QD1 LEU 64 - QG2 VAL 5 far 0 96 0 - 9.3-10.5 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 3.8-4.1 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 - 8.3-9.1 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): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 6 + HA LEU 6 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 THR 31 - HA LEU 6 far 6 59 10 - 4.8-5.3 HB2 LEU 29 - HA LEU 6 far 0 92 0 - 5.2-6.5 HB2 LEU 57 - HA LEU 6 far 0 96 0 - 7.3-8.3 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 4 assignments used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 40 - HA LEU 6 far 0 68 0 - 9.4-12.4 HB3 ARG 79 - HA LEU 6 far 0 100 0 - 9.6-12.6 HB2 LYS 40 - HA LEU 6 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 189 from cnoeabs.peaks (1.52, 5.47, 52.09 ppm; 4.13 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 6 + HA LEU 6 OK 100 100 100 100 2.5-3.5 3.7=100 HB ILE 7 + HA LEU 6 OK 99 100 100 99 4.1-4.5 6075/6072=76...(14) HG12 ILE 56 - HA LEU 6 far 5 100 5 - 5.0-8.2 HG3 ARG 30 - HA LEU 6 far 0 100 0 - 5.5-6.3 HG LEU 57 - HA LEU 6 far 0 87 0 - 7.0-8.1 HB3 GLU 28 - HA LEU 6 far 0 61 0 - 8.2-9.6 HG3 LYS 33 - HA LEU 6 far 0 91 0 - 8.9-10.0 HG2 ARG 79 - HA LEU 6 far 0 99 0 - 9.6-13.3 HG2 LYS 33 - HA LEU 6 far 0 88 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 190 from cnoeabs.peaks (0.69, 5.47, 52.09 ppm; 3.43 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 6 + HA LEU 6 OK 100 100 100 100 1.9-2.7 218=100, 6076/6072=46...(19) QG1 VAL 5 + HA LEU 6 OK 49 57 100 86 3.3-3.8 6067/2.9=26, ~6059=18...(19) QD1 LEU 29 - HA LEU 6 poor 14 71 20 - 3.8-5.3 QD1 ILE 56 - HA LEU 6 far 9 91 10 - 4.1-7.5 HG13 ILE 56 - HA LEU 6 far 0 81 0 - 4.5-7.5 QD1 ILE 8 - HA LEU 6 far 0 88 0 - 4.8-6.8 QG2 VAL 54 - HA LEU 6 far 0 73 0 - 6.3-7.4 QG1 VAL 58 - HA LEU 6 far 0 70 0 - 6.8-7.6 QG2 VAL 78 - HA LEU 6 far 0 68 0 - 7.1-9.3 QD1 LEU 42 - HA LEU 6 far 0 100 0 - 7.3-9.3 QD2 LEU 14 - HA LEU 6 far 0 90 0 - 7.8-8.4 QG2 VAL 58 - HA LEU 6 far 0 99 0 - 8.9-9.5 QD1 ILE 52 - HA LEU 6 far 0 99 0 - 9.7-11.1 QD1 LEU 14 - HA LEU 6 far 0 99 0 - 9.9-10.9 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 15 assignments used, quality = 1.00: * QD1 LEU 6 + HA LEU 6 OK 100 100 100 100 3.8-3.9 4.0=93, 2.1/218=82...(15) QG2 ILE 7 + HA LEU 6 OK 78 81 100 97 3.9-4.2 6077/6072=75, 8256=40...(15) QG1 VAL 54 + HA LEU 6 OK 73 99 85 87 4.1-4.9 10663/2.9=45...(9) QD2 LEU 57 + HA LEU 6 OK 31 85 55 67 4.4-6.4 225/2.9=18, 226=16...(11) QG2 ILE 15 - HA LEU 6 far 0 59 0 - 6.0-7.3 QD1 ILE 93 - HA LEU 6 far 0 100 0 - 6.0-7.4 QD2 LEU 42 - HA LEU 6 far 0 100 0 - 6.6-8.7 QG1 VAL 78 - HA LEU 6 far 0 85 0 - 6.7-9.5 HG13 ILE 15 - HA LEU 6 far 0 96 0 - 7.1-8.8 QG2 ILE 93 - HA LEU 6 far 0 92 0 - 7.2-8.5 QG2 ILE 8 - HA LEU 6 far 0 96 0 - 7.3-8.0 HG13 ILE 93 - HA LEU 6 far 0 82 0 - 7.3-9.4 QD1 ILE 15 - HA LEU 6 far 0 99 0 - 7.6-8.2 QD1 LEU 27 - HA LEU 6 far 0 100 0 - 8.3-9.4 QG2 ILE 52 - HA LEU 6 far 0 99 0 - 9.8-12.2 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 2.1-2.5 6072=100, 6074/3.0=36...(22) H VAL 32 - HA LEU 6 far 0 90 0 - 4.7-5.7 H THR 31 - HA LEU 6 far 0 61 0 - 4.7-5.2 H LEU 29 - HA LEU 6 far 0 100 0 - 6.7-7.7 H VAL 54 - HA LEU 6 far 0 73 0 - 9.2-10.2 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 2.4-3.8 4.0=100 H LYS 33 - HB2 LEU 6 far 0 99 0 - 7.0-9.3 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 2.3-3.0 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 5 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 - 8.4-11.6 HB2 LYS 40 - HB2 LEU 6 far 0 100 0 - 8.5-11.3 HB3 ARG 79 - HB2 LEU 6 far 0 100 0 - 8.8-12.2 HB ILE 76 - HB2 LEU 6 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 197 from cnoeabs.peaks (1.52, 1.18, 44.10 ppm; 3.61 A): 2 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 HG12 ILE 56 + HB2 LEU 6 OK 48 100 50 97 2.6-6.4 1.8/10676=42...(18) HB ILE 7 - HB2 LEU 6 far 0 100 0 - 5.2-6.5 HG3 ARG 30 - HB2 LEU 6 far 0 100 0 - 6.1-8.3 HG LEU 57 - HB2 LEU 6 far 0 87 0 - 7.5-8.7 HG3 LYS 33 - HB2 LEU 6 far 0 91 0 - 8.2-10.9 HG2 ARG 79 - HB2 LEU 6 far 0 99 0 - 8.3-13.3 HG2 LYS 33 - HB2 LEU 6 far 0 88 0 - 8.7-11.1 HB3 GLU 28 - HB2 LEU 6 far 0 61 0 - 9.3-11.4 HG3 ARG 79 - HB2 LEU 6 far 0 99 0 - 9.9-13.3 HB3 LEU 64 - HB2 LEU 6 far 0 68 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 198 from cnoeabs.peaks (0.69, 1.18, 44.10 ppm; 3.49 A): 4 out of 13 assignments used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 ILE 56 + HB2 LEU 6 OK 57 91 65 96 1.9-5.5 3.0/8235=40...(19) HG13 ILE 56 + HB2 LEU 6 OK 50 81 65 96 2.0-5.7 3.2/8235=38, 10676=28...(20) QD1 ILE 8 + HB2 LEU 6 OK 31 88 75 47 3.1-5.0 2596/8235=16, 206/1.8=7...(11) QG1 VAL 5 - HB2 LEU 6 far 3 57 5 - 4.3-5.2 QG2 VAL 78 - HB2 LEU 6 far 0 68 0 - 4.7-7.7 QG2 VAL 54 - HB2 LEU 6 far 0 73 0 - 5.0-7.2 QD1 LEU 42 - HB2 LEU 6 far 0 100 0 - 5.1-7.5 QG1 VAL 58 - HB2 LEU 6 far 0 70 0 - 5.5-6.6 QD1 LEU 29 - HB2 LEU 6 far 0 71 0 - 5.7-7.1 QG2 VAL 58 - HB2 LEU 6 far 0 99 0 - 7.3-9.0 QD2 LEU 14 - HB2 LEU 6 far 0 90 0 - 8.0-9.6 QD1 ILE 52 - HB2 LEU 6 far 0 99 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 199 from cnoeabs.peaks (0.77, 1.18, 44.10 ppm; 3.48 A): 2 out of 18 assignments used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.1-2.8 3.1=100 QG1 VAL 54 + HB2 LEU 6 OK 58 99 70 84 2.8-4.8 10655/1.8=37...(14) QD2 LEU 42 - HB2 LEU 6 far 5 100 5 - 4.3-7.3 QG1 VAL 78 - HB2 LEU 6 far 0 85 0 - 4.4-8.6 QD2 LEU 57 - HB2 LEU 6 far 0 85 0 - 4.5-6.7 QG2 ILE 7 - HB2 LEU 6 far 0 81 0 - 4.5-6.1 QG2 ILE 8 - HB2 LEU 6 far 0 96 0 - 6.1-7.4 QG2 ILE 15 - HB2 LEU 6 far 0 59 0 - 7.0-9.6 QD1 ILE 93 - HB2 LEU 6 far 0 100 0 - 7.3-8.7 QD1 ILE 15 - HB2 LEU 6 far 0 99 0 - 8.1-9.9 HG13 ILE 15 - HB2 LEU 6 far 0 96 0 - 8.2-10.8 QD1 ILE 76 - HB2 LEU 6 far 0 77 0 - 8.3-10.1 QD1 LEU 64 - HB2 LEU 6 far 0 79 0 - 8.4-10.2 QG2 ILE 52 - HB2 LEU 6 far 0 99 0 - 8.5-11.4 HG13 ILE 93 - HB2 LEU 6 far 0 82 0 - 8.7-11.0 QG2 ILE 93 - HB2 LEU 6 far 0 92 0 - 8.9-9.9 QD1 LEU 27 - HB2 LEU 6 far 0 100 0 - 9.1-10.5 QD2 LEU 70 - HB2 LEU 6 far 0 63 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 200 from cnoeabs.peaks (8.46, 1.18, 44.10 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 7 + HB2 LEU 6 OK 100 100 100 100 2.4-4.5 4.3=100 H VAL 32 + HB2 LEU 6 OK 40 90 50 89 4.3-7.0 4.0/10337=66, 208/1.8=21...(9) H THR 31 - HB2 LEU 6 far 6 61 10 - 5.2-7.6 H VAL 54 - HB2 LEU 6 far 0 73 0 - 7.5-10.0 H LEU 29 - HB2 LEU 6 far 0 100 0 - 8.7-9.8 H ALA 67 - HB2 LEU 6 far 0 90 0 - 8.8-10.4 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 2.4-3.7 4.0=100 H LYS 33 - HB3 LEU 6 far 0 99 0 - 7.0-9.8 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 2.3-3.0 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 7 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 - 5.7-7.5 HB2 LEU 57 - HB3 LEU 6 far 0 96 0 - 7.0-9.2 HB2 LEU 29 - HB3 LEU 6 far 0 92 0 - 7.7-9.1 QG2 THR 34 - HB3 LEU 6 far 0 100 0 - 9.3-11.7 HB3 LEU 3 - HB3 LEU 6 far 0 77 0 - 9.9-12.8 HG2 LYS 40 - HB3 LEU 6 far 0 90 0 - 10.0-12.2 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 2.4-3.0 3.0=100 HG12 ILE 56 + HB3 LEU 6 OK 54 100 55 98 2.0-7.1 3.2/10672=53, ~10676=36...(19) HB ILE 7 - HB3 LEU 6 far 0 100 0 - 5.3-6.3 HG3 ARG 30 - HB3 LEU 6 far 0 100 0 - 6.4-8.2 HG LEU 57 - HB3 LEU 6 far 0 87 0 - 7.3-9.4 HG2 ARG 79 - HB3 LEU 6 far 0 99 0 - 7.6-13.3 HG3 LYS 33 - HB3 LEU 6 far 0 91 0 - 8.4-11.2 HG2 LYS 33 - HB3 LEU 6 far 0 88 0 - 8.9-11.7 HG3 ARG 79 - HB3 LEU 6 far 0 99 0 - 9.2-13.1 HB3 GLU 28 - HB3 LEU 6 far 0 61 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 206 from cnoeabs.peaks (0.69, 1.65, 44.10 ppm; 3.55 A): 4 out of 13 assignments used, quality = 1.00: * QD2 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.2-3.2 3.1=100 HG13 ILE 56 + HB3 LEU 6 OK 58 81 75 97 2.0-5.7 3.2/10672=48...(19) QD1 ILE 56 + HB3 LEU 6 OK 53 91 60 96 1.9-6.0 3.0/10672=50, ~10676=30...(19) QD1 ILE 8 + HB3 LEU 6 OK 24 88 50 54 3.3-5.5 2596/10672=20...(11) QG1 VAL 5 - HB3 LEU 6 poor 17 57 35 83 4.3-5.4 4.1/6065=39, 190/3.0=19...(16) QG2 VAL 78 - HB3 LEU 6 far 0 68 0 - 4.8-7.8 QG2 VAL 54 - HB3 LEU 6 far 0 73 0 - 5.1-6.9 QD1 LEU 42 - HB3 LEU 6 far 0 100 0 - 5.3-7.3 QG1 VAL 58 - HB3 LEU 6 far 0 70 0 - 5.6-6.5 QD1 LEU 29 - HB3 LEU 6 far 0 71 0 - 5.9-7.3 QG2 VAL 58 - HB3 LEU 6 far 0 99 0 - 7.4-8.9 QD2 LEU 14 - HB3 LEU 6 far 0 90 0 - 8.2-9.4 QD1 ILE 52 - HB3 LEU 6 far 0 99 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 207 from cnoeabs.peaks (0.77, 1.65, 44.10 ppm; 3.54 A): 2 out of 19 assignments used, quality = 1.00: * QD1 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.0-2.5 3.1=100 QG1 VAL 54 + HB3 LEU 6 OK 68 99 75 91 2.5-4.6 10655=47, 10209/3.0=32...(15) QD2 LEU 57 - HB3 LEU 6 far 9 85 10 - 4.4-6.6 QG2 ILE 7 - HB3 LEU 6 far 0 81 0 - 4.6-6.0 QG1 VAL 78 - HB3 LEU 6 far 0 85 0 - 4.8-8.6 QD2 LEU 42 - HB3 LEU 6 far 0 100 0 - 5.2-6.9 QG2 ILE 8 - HB3 LEU 6 far 0 96 0 - 6.1-7.7 QD1 ILE 93 - HB3 LEU 6 far 0 100 0 - 7.4-9.0 QG2 ILE 15 - HB3 LEU 6 far 0 59 0 - 7.7-9.4 QD1 ILE 15 - HB3 LEU 6 far 0 99 0 - 7.9-9.7 HG13 ILE 15 - HB3 LEU 6 far 0 96 0 - 7.9-10.7 QG2 ILE 93 - HB3 LEU 6 far 0 92 0 - 8.2-10.3 QG2 ILE 52 - HB3 LEU 6 far 0 99 0 - 8.3-12.1 HG13 ILE 93 - HB3 LEU 6 far 0 82 0 - 8.4-11.4 QD1 LEU 64 - HB3 LEU 6 far 0 79 0 - 8.5-10.4 QD1 LEU 27 - HB3 LEU 6 far 0 100 0 - 8.6-11.1 QD1 ILE 76 - HB3 LEU 6 far 0 77 0 - 8.6-10.2 QD2 LEU 70 - HB3 LEU 6 far 0 63 0 - 9.2-10.7 HG3 ARG 81 - HB3 LEU 6 far 0 75 0 - 9.7-12.5 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 7 assignments used, quality = 1.00: * H ILE 7 + HB3 LEU 6 OK 100 100 100 100 2.4-4.3 4.3=100 H VAL 32 + HB3 LEU 6 OK 46 90 55 93 4.2-7.3 4.0/10160=69...(8) H THR 31 - HB3 LEU 6 far 9 61 15 - 5.4-7.6 H VAL 54 - HB3 LEU 6 far 0 73 0 - 7.1-10.0 H ALA 67 - HB3 LEU 6 far 0 90 0 - 8.8-10.5 H LEU 29 - HB3 LEU 6 far 0 100 0 - 9.1-10.1 H LYS 53 - HB3 LEU 6 far 0 99 0 - 10.0-12.6 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 2.3-3.7 6065/3.0=72, 6064/3.0=66...(16) H LEU 6 - HG2 ARG 79 far 0 82 0 - 6.8-10.3 H LEU 6 - HG3 ARG 79 far 0 81 0 - 8.0-10.6 H LYS 33 - HG LEU 6 far 0 99 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 210 from cnoeabs.peaks (5.47, 1.52, 27.00 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 6 + HG LEU 6 OK 100 100 100 100 2.5-3.5 3.7=100 HA LEU 6 - HG2 ARG 79 far 0 82 0 - 9.6-13.3 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 13 assignments used, quality = 1.00: * HB2 LEU 6 + HG LEU 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 3 - HG LEU 2 far 0 60 0 - 5.7-8.0 QG2 THR 31 - HG LEU 6 far 0 59 0 - 6.7-7.9 HB3 LEU 3 - HG2 ARG 79 far 0 57 0 - 6.8-12.5 HB2 LEU 29 - HG LEU 6 far 0 92 0 - 6.8-8.0 HB3 LEU 3 - HG3 ARG 79 far 0 56 0 - 7.0-13.4 HB2 LEU 6 - HG2 ARG 79 far 0 82 0 - 8.3-13.3 HB2 LEU 57 - HG2 ARG 79 far 0 75 0 - 8.8-11.8 HB2 LEU 57 - HG LEU 6 far 0 96 0 - 8.8-10.1 HB3 LEU 3 - HG LEU 6 far 0 77 0 - 9.1-10.5 HG2 LYS 40 - HG LEU 6 far 0 90 0 - 9.2-11.5 HB2 LEU 57 - HG3 ARG 79 far 0 74 0 - 9.3-12.3 HB2 LEU 6 - HG3 ARG 79 far 0 81 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 212 from cnoeabs.peaks (1.65, 1.52, 27.00 ppm; 3.14 A): 3 out of 24 assignments used, quality = 1.00: * HB3 LEU 6 + HG LEU 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 79 + HG2 ARG 79 OK 81 81 100 100 2.3-3.0 3.0=100 HB3 ARG 79 + HG3 ARG 79 OK 80 80 100 100 2.2-3.0 3.0=100 HB ILE 52 - HG LEU 2 far 7 72 10 - 2.8-5.9 HB3 LYS 53 - HG2 ARG 79 far 0 45 0 - 4.5-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 45 0 - 5.0-9.0 HD2 LYS 47 - HG LEU 2 far 0 57 0 - 5.7-12.1 HB3 LYS 53 - HG LEU 2 far 0 49 0 - 5.8-8.5 HG3 LYS 47 - HG LEU 2 far 0 67 0 - 6.1-11.6 HD3 LYS 47 - HG LEU 2 far 0 55 0 - 6.2-12.9 HD3 LYS 68 - HG3 ARG 79 far 0 81 0 - 6.6-12.7 HD3 LYS 68 - HG2 ARG 79 far 0 82 0 - 7.0-12.2 HB3 LEU 6 - HG2 ARG 79 far 0 82 0 - 7.6-13.3 HG2 LYS 68 - HG3 ARG 79 far 0 80 0 - 7.8-13.1 HG2 LYS 68 - HG2 ARG 79 far 0 81 0 - 7.9-12.6 HD2 LYS 68 - HG3 ARG 79 far 0 81 0 - 8.1-14.1 HD2 LYS 68 - HG2 ARG 79 far 0 82 0 - 8.5-13.6 HB3 LYS 40 - HG LEU 6 far 0 68 0 - 8.7-11.0 HB2 LYS 40 - HG LEU 6 far 0 100 0 - 8.7-10.7 HB ILE 76 - HG2 ARG 79 far 0 82 0 - 8.8-12.3 HB ILE 76 - HG LEU 6 far 0 100 0 - 9.0-10.8 HB3 LYS 53 - HG LEU 6 far 0 63 0 - 9.1-11.3 HB3 LEU 6 - HG3 ARG 79 far 0 81 0 - 9.2-13.1 HB3 ARG 79 - HG LEU 6 far 0 100 0 - 9.2-12.3 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): 2 out of 41 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 52 + HG LEU 2 OK 67 85 85 93 2.8-4.0 ~12040=28, ~12039=27...(20) HG13 ILE 56 - HG LEU 6 poor 17 81 25 83 3.0-7.0 10676/3.0=18, 2589=13...(19) QD1 ILE 56 - HG LEU 6 far 14 91 15 - 2.0-6.8 QG2 VAL 78 - HG2 ARG 79 far 7 49 15 - 3.7-7.3 QG2 VAL 54 - HG LEU 6 far 0 73 0 - 4.2-5.2 QD1 ILE 56 - HG2 ARG 79 far 0 69 0 - 4.3-8.6 QG1 VAL 5 - HG LEU 6 far 0 57 0 - 4.5-5.2 QG2 VAL 78 - HG LEU 6 far 0 68 0 - 4.7-8.2 QG2 VAL 78 - HG3 ARG 79 far 0 48 0 - 4.9-6.9 HG13 ILE 56 - HG2 ARG 79 far 0 60 0 - 5.0-10.6 QG2 VAL 54 - HG LEU 2 far 0 57 0 - 5.3-7.2 QD1 ILE 8 - HG LEU 6 far 0 88 0 - 5.5-6.9 QG2 VAL 54 - HG2 ARG 79 far 0 53 0 - 5.6-9.0 QD1 ILE 56 - HG3 ARG 79 far 0 68 0 - 5.8-8.2 QD1 LEU 42 - HG LEU 6 far 0 100 0 - 5.8-7.7 QG1 VAL 5 - HG2 ARG 79 far 0 41 0 - 5.9-8.7 QD1 LEU 29 - HG LEU 6 far 0 71 0 - 6.1-6.9 QG1 VAL 5 - HG3 ARG 79 far 0 40 0 - 6.5-9.3 QG2 VAL 54 - HG3 ARG 79 far 0 53 0 - 6.6-8.9 HG13 ILE 56 - HG3 ARG 79 far 0 59 0 - 6.7-10.0 QG1 VAL 58 - HG LEU 6 far 0 70 0 - 7.3-8.5 QD1 ILE 52 - HG LEU 6 far 0 99 0 - 7.6-9.0 QG2 VAL 58 - HG2 ARG 79 far 0 79 0 - 7.8-10.7 QG1 VAL 58 - HG2 ARG 79 far 0 50 0 - 7.9-11.0 QG2 VAL 58 - HG3 ARG 79 far 0 78 0 - 8.2-11.2 QD1 ILE 52 - HG2 ARG 79 far 0 80 0 - 8.2-12.4 QD1 ILE 8 - HG2 ARG 79 far 0 67 0 - 8.3-12.4 QD2 LEU 6 - HG2 ARG 79 far 0 82 0 - 8.5-12.5 QG1 VAL 58 - HG3 ARG 79 far 0 49 0 - 8.8-11.1 QD1 LEU 42 - HG2 ARG 79 far 0 82 0 - 8.8-12.3 QD2 LEU 6 - HG LEU 2 far 0 87 0 - 8.8-11.9 QG2 VAL 58 - HG LEU 6 far 0 99 0 - 9.0-10.5 QD1 LEU 29 - HG2 ARG 79 far 0 52 0 - 9.2-11.9 QG2 VAL 78 - HG LEU 2 far 0 52 0 - 9.2-12.4 QD1 ILE 52 - HG3 ARG 79 far 0 79 0 - 9.3-12.3 QD1 ILE 8 - HG3 ARG 79 far 0 66 0 - 9.4-12.1 QD1 LEU 29 - HG3 ARG 79 far 0 51 0 - 9.7-12.6 QD2 LEU 6 - HG3 ARG 79 far 0 81 0 - 9.8-12.3 QD2 LEU 14 - HG LEU 6 far 0 90 0 - 9.9-10.6 QD1 LEU 42 - HG3 ARG 79 far 0 81 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 215 from cnoeabs.peaks (0.77, 1.52, 27.00 ppm; 2.99 A): 3 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 86 99 100 86 1.9-3.4 10209=40, 10655/3.0=21...(18) QD2 LEU 2 + HG LEU 2 OK 47 47 100 100 2.1-2.1 2.1=100 QG1 VAL 78 - HG2 ARG 79 far 10 64 15 - 3.6-7.7 HG3 ARG 81 - HG3 ARG 79 far 8 54 15 - 3.3-9.2 HG3 ARG 81 - HG2 ARG 79 far 3 55 5 - 3.6-9.4 QG2 ILE 52 - HG LEU 2 far 0 85 0 - 4.2-6.1 QD2 LEU 57 - HG2 ARG 79 far 0 64 0 - 4.6-8.1 QD2 LEU 42 - HG LEU 6 far 0 100 0 - 4.8-6.8 QD2 LEU 57 - HG3 ARG 79 far 0 63 0 - 4.9-8.7 QG1 VAL 54 - HG2 ARG 79 far 0 80 0 - 4.9-8.7 QG1 VAL 78 - HG3 ARG 79 far 0 63 0 - 5.1-7.4 QD2 LEU 57 - HG LEU 6 far 0 85 0 - 5.1-7.5 QG1 VAL 78 - HG LEU 6 far 0 85 0 - 5.3-7.8 QG2 ILE 7 - HG LEU 6 far 0 81 0 - 6.1-6.9 QG1 VAL 54 - HG3 ARG 79 far 0 79 0 - 6.1-8.6 QD1 LEU 64 - HG2 ARG 79 far 0 58 0 - 6.7-8.7 QD2 LEU 42 - HG2 ARG 79 far 0 82 0 - 6.9-10.5 QG2 ILE 52 - HG2 ARG 79 far 0 80 0 - 6.9-10.8 QD1 LEU 64 - HG3 ARG 79 far 0 57 0 - 6.9-9.1 QG1 VAL 54 - HG LEU 2 far 0 84 0 - 7.2-9.4 QD1 LEU 6 - HG2 ARG 79 far 0 82 0 - 7.3-11.2 QD1 ILE 93 - HG LEU 6 far 0 100 0 - 7.4-9.2 QG2 ILE 52 - HG LEU 6 far 0 99 0 - 7.4-10.2 QD1 LEU 27 - HG3 ARG 79 far 0 81 0 - 7.5-10.9 QD1 LEU 27 - HG LEU 2 far 0 87 0 - 7.5-9.7 QD1 ILE 76 - HG LEU 6 far 0 77 0 - 7.6-9.0 QD1 LEU 27 - HG2 ARG 79 far 0 82 0 - 7.7-9.8 QG2 ILE 52 - HG3 ARG 79 far 0 79 0 - 7.9-10.6 QG2 ILE 93 - HG3 ARG 79 far 0 69 0 - 8.0-11.5 QD1 LEU 6 - HG3 ARG 79 far 0 81 0 - 8.2-10.8 QG2 ILE 15 - HG LEU 6 far 0 59 0 - 8.3-9.8 HG13 ILE 93 - HG3 ARG 79 far 0 60 0 - 8.3-14.0 QD2 LEU 42 - HG3 ARG 79 far 0 81 0 - 8.3-9.8 QG2 ILE 93 - HG LEU 6 far 0 92 0 - 8.3-9.5 QG2 ILE 8 - HG LEU 6 far 0 96 0 - 8.4-8.9 QG2 ILE 93 - HG2 ARG 79 far 0 70 0 - 8.4-10.4 QD1 LEU 27 - HG LEU 6 far 0 100 0 - 8.4-9.5 HG13 ILE 93 - HG2 ARG 79 far 0 61 0 - 8.4-12.7 QD1 ILE 93 - HG2 ARG 79 far 0 82 0 - 8.5-10.7 QD1 ILE 76 - HG LEU 2 far 0 60 0 - 8.5-11.0 HG13 ILE 93 - HG LEU 6 far 0 82 0 - 8.5-11.3 QD1 ILE 93 - HG3 ARG 79 far 0 81 0 - 8.6-11.7 QD2 LEU 2 - HG2 ARG 79 far 0 44 0 - 8.7-12.5 QG1 VAL 78 - HG LEU 2 far 0 68 0 - 8.9-10.9 QD2 LEU 42 - HG LEU 2 far 0 86 0 - 8.9-10.8 QD1 ILE 76 - HG2 ARG 79 far 0 57 0 - 9.3-12.3 QD1 LEU 6 - HG LEU 2 far 0 87 0 - 9.4-11.4 QD2 LEU 2 - HG3 ARG 79 far 0 43 0 - 9.4-12.5 QD2 LEU 2 - HG LEU 6 far 0 61 0 - 9.4-11.3 QD1 ILE 15 - HG LEU 6 far 0 99 0 - 9.7-10.7 HG13 ILE 15 - HG LEU 6 far 0 96 0 - 9.8-11.7 QD1 LEU 64 - HG LEU 6 far 0 79 0 - 9.8-11.2 QD2 LEU 70 - HG LEU 6 far 0 63 0 - 9.9-11.7 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 12 assignments used, quality = 1.00: * H ILE 7 + HG LEU 6 OK 100 100 100 100 4.3-5.4 6072/3.7=83, 6076/2.1=81...(16) H LYS 53 + HG LEU 2 OK 37 84 55 80 3.6-6.1 6870/2.1=35, 9184/3.0=25...(9) H VAL 54 - HG2 ARG 79 poor 19 53 35 - 3.1-7.8 H VAL 54 - HG3 ARG 79 poor 13 53 25 - 4.6-7.6 H THR 31 - HG LEU 6 far 0 61 0 - 5.7-7.5 H VAL 54 - HG LEU 6 far 0 73 0 - 6.6-8.5 H VAL 32 - HG LEU 6 far 0 90 0 - 6.7-7.9 H LYS 53 - HG2 ARG 79 far 0 80 0 - 6.7-10.7 H VAL 54 - HG LEU 2 far 0 57 0 - 7.4-9.9 H LEU 29 - HG LEU 6 far 0 100 0 - 7.4-8.8 H LYS 53 - HG3 ARG 79 far 0 79 0 - 7.4-10.9 H LYS 53 - HG LEU 6 far 0 99 0 - 8.9-10.4 Violated in 5 structures by 0.01 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 3.0-4.6 4.6=100 H LYS 33 - QD2 LEU 6 far 5 99 5 - 5.6-7.8 H LEU 6 - QD2 LEU 14 far 0 72 0 - 8.1-8.9 H LYS 33 - QD2 LEU 14 far 0 69 0 - 9.6-10.8 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 = 0.98: * HA LEU 6 + QD2 LEU 6 OK 98 100 100 98 1.9-2.7 190=67, 6072/6076=46...(18) HA LEU 6 - QD2 LEU 14 far 0 72 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 219 from cnoeabs.peaks (1.18, 0.69, 24.21 ppm; 3.72 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 57 + QD2 LEU 14 OK 40 65 100 62 3.5-4.5 9819/9806=25, 10690=11...(11) QG2 THR 31 - QD2 LEU 6 far 9 59 15 - 4.3-5.5 QG2 THR 31 - QD2 LEU 14 far 0 36 0 - 5.0-5.7 HB2 LEU 29 - QD2 LEU 6 far 0 92 0 - 5.2-7.2 HG2 LYS 40 - QD2 LEU 6 far 0 90 0 - 6.3-8.5 QG2 THR 34 - QD2 LEU 6 far 0 100 0 - 7.7-9.7 HB3 LEU 3 - QD2 LEU 6 far 0 77 0 - 7.8-10.6 HB2 LEU 6 - QD2 LEU 14 far 0 72 0 - 8.0-9.6 HB2 LEU 57 - QD2 LEU 6 far 0 96 0 - 8.0-9.0 HB2 LEU 29 - QD2 LEU 14 far 0 61 0 - 8.8-9.6 QG2 THR 34 - QD2 LEU 14 far 0 72 0 - 9.8-11.4 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 16 assignments used, quality = 1.00: * HB3 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.2-3.2 3.1=100 HB2 LYS 40 - QD2 LEU 6 far 0 100 0 - 5.9-7.8 HB3 LYS 40 - QD2 LEU 6 far 0 68 0 - 6.2-8.3 HD3 LYS 20 - QD2 LEU 14 far 0 54 0 - 8.0-11.6 HB3 LYS 53 - QD2 LEU 6 far 0 63 0 - 8.2-11.4 HB3 LEU 6 - QD2 LEU 14 far 0 72 0 - 8.2-9.4 HD2 LYS 20 - QD2 LEU 14 far 0 50 0 - 8.3-10.8 HB3 ARG 91 - QD2 LEU 14 far 0 43 0 - 8.6-10.1 HB ILE 76 - QD2 LEU 6 far 0 100 0 - 8.9-10.0 HG3 LYS 20 - QD2 LEU 14 far 0 54 0 - 8.9-11.5 HB3 ARG 79 - QD2 LEU 6 far 0 100 0 - 9.2-12.0 HD2 LYS 39 - QD2 LEU 6 far 0 100 0 - 9.6-11.4 HD3 LYS 47 - QD2 LEU 6 far 0 71 0 - 9.7-14.3 HD2 LYS 47 - QD2 LEU 6 far 0 73 0 - 9.8-14.4 HD3 LYS 39 - QD2 LEU 6 far 0 100 0 - 9.8-11.2 HB ILE 52 - QD2 LEU 6 far 0 90 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 221 from cnoeabs.peaks (1.52, 0.69, 24.21 ppm; 3.14 A): 3 out of 21 assignments used, quality = 1.00: * HG LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 14 + QD2 LEU 14 OK 72 72 100 100 2.0-3.1 3.1=100 HG3 ARG 30 + QD2 LEU 6 OK 60 100 65 93 3.4-4.2 2.9/8717=36, 3.0/8722=28...(19) HB ILE 7 - QD2 LEU 14 far 0 72 0 - 4.4-4.8 HG12 ILE 56 - QD2 LEU 6 far 0 100 0 - 4.4-7.9 HG LEU 57 - QD2 LEU 14 far 0 56 0 - 4.5-5.7 HB ILE 7 - QD2 LEU 6 far 0 100 0 - 5.1-6.2 HB3 GLU 28 - QD2 LEU 6 far 0 61 0 - 5.8-8.5 HG3 LYS 33 - QD2 LEU 6 far 0 91 0 - 6.6-8.8 HG2 LYS 33 - QD2 LEU 6 far 0 88 0 - 6.7-9.1 HG3 LYS 13 - QD2 LEU 14 far 0 51 0 - 7.1-8.3 HB2 LEU 3 - QD2 LEU 6 far 0 81 0 - 7.7-10.7 HG LEU 57 - QD2 LEU 6 far 0 87 0 - 7.8-8.9 HB2 ARG 91 - QD2 LEU 14 far 0 36 0 - 8.4-11.1 HG2 ARG 79 - QD2 LEU 6 far 0 99 0 - 8.5-12.5 HG3 LYS 33 - QD2 LEU 14 far 0 60 0 - 8.6-10.3 HB3 LEU 64 - QD2 LEU 14 far 0 42 0 - 8.7-9.8 HG LEU 2 - QD2 LEU 6 far 0 99 0 - 8.8-11.9 HG12 ILE 56 - QD2 LEU 14 far 0 71 0 - 9.3-10.8 HG3 ARG 79 - QD2 LEU 6 far 0 99 0 - 9.8-12.3 HG LEU 6 - QD2 LEU 14 far 0 72 0 - 9.9-10.6 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): 4 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 HG13 ILE 15 + QD2 LEU 14 OK 36 65 80 69 2.4-4.3 670/12020=20...(15) QD1 ILE 15 + QD2 LEU 14 OK 24 69 45 77 2.5-4.4 678/12020=22...(15) QG2 ILE 7 + QD2 LEU 14 OK 22 51 60 73 3.4-4.0 3.2/10273=19...(16) QG1 VAL 54 - QD2 LEU 6 poor 19 99 25 78 2.5-4.5 10209/2.1=25...(19) QG2 ILE 7 - QD2 LEU 6 far 0 81 0 - 4.1-5.2 QG2 ILE 15 - QD2 LEU 14 far 0 36 0 - 4.3-5.1 QD1 ILE 93 - QD2 LEU 14 far 0 72 0 - 4.4-6.1 QD2 LEU 57 - QD2 LEU 14 far 0 55 0 - 4.8-5.8 QD2 LEU 42 - QD2 LEU 6 far 0 100 0 - 5.0-6.2 QD2 LEU 57 - QD2 LEU 6 far 0 85 0 - 5.2-7.1 QG2 ILE 8 - QD2 LEU 14 far 0 65 0 - 5.5-6.6 QG1 VAL 78 - QD2 LEU 6 far 0 85 0 - 5.7-7.4 QG2 ILE 15 - QD2 LEU 6 far 0 59 0 - 5.9-7.1 QG2 ILE 8 - QD2 LEU 6 far 0 96 0 - 6.0-7.7 QD1 ILE 93 - QD2 LEU 6 far 0 100 0 - 6.3-8.1 HG13 ILE 93 - QD2 LEU 14 far 0 53 0 - 6.3-8.5 QG2 ILE 52 - QD2 LEU 6 far 0 99 0 - 6.6-10.0 HG13 ILE 15 - QD2 LEU 6 far 0 96 0 - 7.0-9.3 QG2 ILE 93 - QD2 LEU 6 far 0 92 0 - 7.0-8.8 QD1 ILE 15 - QD2 LEU 6 far 0 99 0 - 7.1-8.2 QG2 ILE 93 - QD2 LEU 14 far 0 61 0 - 7.1-9.0 QD1 ILE 76 - QD2 LEU 6 far 0 77 0 - 7.1-8.0 QD1 LEU 27 - QD2 LEU 6 far 0 100 0 - 7.1-9.2 HG13 ILE 93 - QD2 LEU 6 far 0 82 0 - 7.6-10.0 HG3 ARG 81 - QD2 LEU 14 far 0 47 0 - 7.7-11.0 QD2 LEU 2 - QD2 LEU 6 far 0 61 0 - 7.9-10.9 QD2 LEU 70 - QD2 LEU 6 far 0 63 0 - 8.3-9.7 QD1 LEU 64 - QD2 LEU 14 far 0 50 0 - 8.6-9.4 QD1 LEU 6 - QD2 LEU 14 far 0 72 0 - 8.6-9.7 QD1 LEU 64 - QD2 LEU 6 far 0 79 0 - 8.9-10.2 QG1 VAL 54 - QD2 LEU 14 far 0 70 0 - 9.1-10.0 QD1 LEU 27 - QD2 LEU 14 far 0 72 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 224 from cnoeabs.peaks (8.46, 0.69, 24.21 ppm; 4.10 A): 3 out of 10 assignments used, quality = 1.00: * H ILE 7 + QD2 LEU 6 OK 100 100 100 100 2.6-3.9 6076=85, 6072/218=74...(18) H THR 31 + QD2 LEU 6 OK 57 61 100 92 3.4-4.5 4.7/8717=41...(12) H VAL 32 + QD2 LEU 6 OK 52 90 80 72 4.0-5.8 4.0/8942=26, 4.6/8737=24...(8) H LEU 29 - QD2 LEU 6 far 0 100 0 - 5.6-7.5 H ILE 7 - QD2 LEU 14 far 0 72 0 - 6.2-6.7 H VAL 54 - QD2 LEU 6 far 0 73 0 - 6.8-9.1 H VAL 32 - QD2 LEU 14 far 0 59 0 - 6.8-7.7 H LYS 53 - QD2 LEU 6 far 0 99 0 - 7.8-10.7 H ALA 67 - QD2 LEU 6 far 0 90 0 - 8.4-10.8 H THR 31 - QD2 LEU 14 far 0 37 0 - 8.9-9.7 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 3.7-4.3 4.6=100 H LEU 6 + QD2 LEU 57 OK 60 68 100 88 2.9-4.5 9333/4.6=49, 6068=24...(14) H LYS 33 - QD1 LEU 6 far 0 99 0 - 6.5-8.1 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 3.8-3.9 4.0=100 HA LEU 6 + QD2 LEU 57 OK 30 68 60 74 4.4-6.4 2.9/225=23, 10372/3.1=22...(10) 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 2.1-2.8 3.1=100 HB2 LEU 57 + QD2 LEU 57 OK 61 61 100 100 3.1-3.2 3.1=100 HB2 LEU 6 - QD2 LEU 57 far 0 68 0 - 4.5-6.7 HB2 LEU 29 - QD2 LEU 57 far 0 57 0 - 5.7-7.9 QG2 THR 31 - QD2 LEU 57 far 0 33 0 - 6.0-7.9 QG2 THR 31 - QD1 LEU 6 far 0 59 0 - 6.2-7.1 HG2 LYS 40 - QD1 LEU 6 far 0 90 0 - 6.6-8.0 HB2 LEU 29 - QD1 LEU 6 far 0 92 0 - 7.6-8.4 HB3 LEU 3 - QD2 LEU 57 far 0 45 0 - 7.8-10.4 HB3 LEU 3 - QD1 LEU 6 far 0 77 0 - 8.2-10.2 QG2 THR 34 - QD1 LEU 6 far 0 100 0 - 8.3-9.6 HB2 LEU 57 - QD1 LEU 6 far 0 96 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 228 from cnoeabs.peaks (1.65, 0.77, 25.58 ppm; 3.62 A): 1 out of 24 assignments used, quality = 1.00: * HB3 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.0-2.5 3.1=100 HB3 LEU 6 - QD2 LEU 57 far 10 68 15 - 4.4-6.6 HB3 ARG 79 - QD2 LEU 57 far 3 67 5 - 4.5-7.7 HB3 LYS 40 - QD1 LEU 6 far 0 68 0 - 5.3-8.0 HB2 LYS 40 - QD1 LEU 6 far 0 100 0 - 5.5-7.6 HB ILE 76 - QD1 LEU 6 far 0 100 0 - 6.7-7.6 HB3 ARG 79 - QD1 LEU 6 far 0 100 0 - 7.0-10.2 HB3 ARG 91 - QD2 LEU 57 far 0 40 0 - 7.3-9.1 HD3 LYS 39 - QD1 LEU 6 far 0 100 0 - 8.3-9.8 HG2 LYS 68 - QD2 LEU 57 far 0 67 0 - 8.3-11.2 HD2 LYS 39 - QD1 LEU 6 far 0 100 0 - 8.4-9.7 HB3 LYS 53 - QD1 LEU 6 far 0 63 0 - 8.5-10.1 HD3 LYS 68 - QD2 LEU 57 far 0 68 0 - 8.6-12.3 HB3 LYS 53 - QD2 LEU 57 far 0 36 0 - 8.6-9.7 HG2 LYS 68 - QD1 LEU 6 far 0 100 0 - 8.9-11.1 HB ILE 52 - QD1 LEU 6 far 0 90 0 - 9.1-10.5 HD3 LYS 47 - QD1 LEU 6 far 0 71 0 - 9.2-13.4 HD2 LYS 47 - QD1 LEU 6 far 0 73 0 - 9.4-13.4 HG3 LYS 47 - QD1 LEU 6 far 0 84 0 - 9.4-11.8 HD3 LYS 68 - QD1 LEU 6 far 0 100 0 - 9.5-12.4 HD3 LYS 73 - QD1 LEU 6 far 0 95 0 - 9.5-13.7 HD2 LYS 68 - QD2 LEU 57 far 0 67 0 - 9.9-13.0 HD2 LYS 94 - QD2 LEU 57 far 0 53 0 - 9.9-11.9 HD2 LYS 68 - QD1 LEU 6 far 0 100 0 - 9.9-12.9 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 29 assignments used, quality = 1.00: * HG LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 57 + QD2 LEU 57 OK 53 53 100 100 2.1-2.1 2.1=100 HG12 ILE 56 + QD1 LEU 6 OK 47 100 60 79 2.4-6.0 2.1/230=19, ~10676=17...(14) HB ILE 7 + QD2 LEU 57 OK 39 68 60 96 2.9-5.3 8277/3.1=27, 244=26...(29) HG2 ARG 79 - QD2 LEU 57 far 0 66 0 - 4.6-8.1 HG12 ILE 56 - QD2 LEU 57 far 0 67 0 - 4.8-5.7 HG3 ARG 79 - QD2 LEU 57 far 0 65 0 - 4.9-8.7 HG3 ARG 30 - QD1 LEU 6 far 0 100 0 - 5.1-6.6 HG LEU 6 - QD2 LEU 57 far 0 68 0 - 5.1-7.5 HB3 LEU 64 - QD2 LEU 57 far 0 38 0 - 6.4-8.4 HB ILE 7 - QD1 LEU 6 far 0 100 0 - 6.6-7.3 HG2 ARG 79 - QD1 LEU 6 far 0 99 0 - 7.3-11.2 HB2 ARG 91 - QD2 LEU 57 far 0 33 0 - 7.5-9.9 HB3 GLU 28 - QD1 LEU 6 far 0 61 0 - 7.7-8.8 HB2 LEU 3 - QD2 LEU 57 far 0 48 0 - 8.0-10.3 HG3 LYS 33 - QD1 LEU 6 far 0 91 0 - 8.1-9.6 HG2 LYS 33 - QD1 LEU 6 far 0 88 0 - 8.1-9.6 HG3 ARG 79 - QD1 LEU 6 far 0 99 0 - 8.2-10.8 HG LEU 57 - QD1 LEU 6 far 0 87 0 - 8.4-9.5 HB2 LEU 14 - QD2 LEU 57 far 0 68 0 - 8.6-10.0 HB2 LEU 3 - QD1 LEU 6 far 0 81 0 - 8.7-10.4 HG3 ARG 30 - QD2 LEU 57 far 0 67 0 - 8.9-10.9 HB3 GLU 28 - QD2 LEU 57 far 0 35 0 - 9.0-11.4 HG LEU 2 - QD1 LEU 6 far 0 99 0 - 9.4-11.4 HD3 LYS 53 - QD2 LEU 57 far 0 49 0 - 9.5-10.9 HB3 LEU 64 - QD1 LEU 6 far 0 68 0 - 9.7-10.9 HG2 LYS 47 - QD1 LEU 6 far 0 70 0 - 9.8-12.4 HG3 LYS 66 - QD1 LEU 6 far 0 73 0 - 9.9-11.8 HD3 LYS 53 - QD1 LEU 6 far 0 82 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 230 from cnoeabs.peaks (0.69, 0.77, 25.58 ppm; 2.56 A): 3 out of 27 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 46 91 80 64 1.9-4.7 324=18, ~10676=9...(16) HG13 ILE 56 + QD1 LEU 6 OK 27 81 55 61 2.1-4.7 2.1/324=12, 10676/3.1=11...(14) QG2 VAL 54 - QD1 LEU 6 poor 15 73 20 - 3.3-4.4 QG1 VAL 5 - QD2 LEU 57 poor 10 32 100 30 1.8-3.4 10695/2.1=8, 2.1/9364=5...(10) QD1 LEU 42 - QD1 LEU 6 far 5 100 5 - 3.3-4.8 QD1 LEU 29 - QD2 LEU 57 far 0 41 0 - 3.5-5.3 QD1 ILE 8 - QD1 LEU 6 far 0 88 0 - 3.7-4.8 QG2 VAL 78 - QD1 LEU 6 far 0 68 0 - 4.0-5.3 QD1 ILE 56 - QD2 LEU 57 far 0 56 0 - 4.3-5.7 HG13 ILE 56 - QD2 LEU 57 far 0 48 0 - 4.7-6.0 QD1 ILE 8 - QD2 LEU 57 far 0 54 0 - 4.8-6.7 QD2 LEU 14 - QD2 LEU 57 far 0 55 0 - 4.8-5.8 QG2 VAL 58 - QD2 LEU 57 far 0 64 0 - 4.8-6.2 QG1 VAL 58 - QD2 LEU 57 far 0 40 0 - 4.8-5.3 QG1 VAL 5 - QD1 LEU 6 far 0 57 0 - 5.0-5.7 QD2 LEU 6 - QD2 LEU 57 far 0 68 0 - 5.2-7.1 QG2 VAL 78 - QD2 LEU 57 far 0 38 0 - 5.5-7.7 QG1 VAL 58 - QD1 LEU 6 far 0 70 0 - 5.8-6.7 QD1 LEU 14 - QD2 LEU 57 far 0 66 0 - 6.1-7.2 QD1 ILE 52 - QD1 LEU 6 far 0 99 0 - 6.3-7.6 QD1 LEU 29 - QD1 LEU 6 far 0 71 0 - 6.4-7.3 QG2 VAL 54 - QD2 LEU 57 far 0 42 0 - 6.8-7.5 QG2 VAL 58 - QD1 LEU 6 far 0 99 0 - 7.5-8.4 QD1 LEU 42 - QD2 LEU 57 far 0 68 0 - 8.1-9.5 QD2 LEU 14 - QD1 LEU 6 far 0 90 0 - 8.6-9.7 QD1 ILE 52 - QD2 LEU 57 far 0 66 0 - 9.9-11.1 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): 2 out of 14 assignments used, quality = 1.00: * H ILE 7 + QD1 LEU 6 OK 100 100 100 100 4.2-5.4 6076/2.1=82, 6072/4.0=79...(14) H ILE 7 + QD2 LEU 57 OK 47 68 70 99 4.2-6.1 8237/4.6=41, ~8272=38...(15) H VAL 32 - QD1 LEU 6 poor 13 90 25 57 5.1-6.6 10514/2.1=23, 200/3.1=19...(5) H THR 31 - QD1 LEU 6 far 3 61 5 - 5.5-6.6 H VAL 54 - QD1 LEU 6 far 0 73 0 - 5.9-7.1 H VAL 32 - QD2 LEU 57 far 0 55 0 - 6.8-8.7 H ALA 67 - QD1 LEU 6 far 0 90 0 - 7.5-9.1 H VAL 54 - QD2 LEU 57 far 0 42 0 - 7.5-8.4 H LEU 29 - QD2 LEU 57 far 0 67 0 - 7.9-9.9 H LYS 53 - QD1 LEU 6 far 0 99 0 - 8.0-9.3 H LEU 29 - QD1 LEU 6 far 0 100 0 - 8.0-8.8 H THR 31 - QD2 LEU 57 far 0 35 0 - 8.1-9.9 H ALA 67 - QD2 LEU 57 far 0 55 0 - 8.8-9.8 H LYS 53 - QD2 LEU 57 far 0 66 0 - 9.9-10.7 Violated in 4 structures by 0.04 A. Peak 233 from cnoeabs.peaks (8.46, 5.13, 58.46 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + HA ILE 7 OK 100 100 100 100 2.9-2.9 3.0=100 H VAL 32 + HA ILE 7 OK 49 90 60 91 4.8-5.7 249/3.0=35, 10517/3.6=31...(14) H THR 31 - HA ILE 7 far 0 61 0 - 7.4-7.8 H ALA 67 - HA ILE 7 far 0 90 0 - 9.5-10.6 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): 1 out of 10 assignments used, quality = 1.00: * HB ILE 7 + HA ILE 7 OK 100 100 100 100 2.5-2.6 3.0=100 HG LEU 57 - HA ILE 7 poor 18 91 20 - 4.3-5.2 HG12 ILE 56 - HA ILE 7 far 0 99 0 - 5.8-7.8 HG LEU 6 - HA ILE 7 far 0 100 0 - 6.3-6.8 HB2 LEU 14 - HA ILE 7 far 0 100 0 - 7.4-9.7 HG3 LYS 33 - HA ILE 7 far 0 94 0 - 8.6-9.8 HB3 LEU 64 - HA ILE 7 far 0 73 0 - 8.8-9.5 HG2 ARG 79 - HA ILE 7 far 0 98 0 - 9.4-13.1 HG3 ARG 30 - HA ILE 7 far 0 99 0 - 9.5-10.2 HG2 LYS 33 - HA ILE 7 far 0 84 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 236 from cnoeabs.peaks (0.80, 5.13, 58.46 ppm; 3.52 A): 2 out of 14 assignments used, quality = 1.00: * QG2 ILE 7 + HA ILE 7 OK 100 100 100 100 3.2-3.2 3.0=100 QD2 LEU 57 + HA ILE 7 OK 86 100 90 96 2.9-4.4 3.1/8272=45, 3.1/9345=33...(20) QG2 VAL 32 - HA ILE 7 far 0 71 0 - 4.8-5.6 QD1 LEU 57 - HA ILE 7 far 0 79 0 - 4.8-5.3 QD2 LEU 38 - HA ILE 7 far 0 87 0 - 5.0-8.0 QD1 ILE 93 - HA ILE 7 far 0 79 0 - 5.3-6.6 QD1 ILE 15 - HA ILE 7 far 0 59 0 - 5.4-6.5 QG2 ILE 8 - HA ILE 7 far 0 98 0 - 5.4-5.4 QD1 LEU 6 - HA ILE 7 far 0 81 0 - 5.8-6.4 QG2 ILE 15 - HA ILE 7 far 0 99 0 - 5.8-6.9 QG1 VAL 54 - HA ILE 7 far 0 63 0 - 6.4-7.3 QD2 LEU 42 - HA ILE 7 far 0 73 0 - 8.4-10.3 QD1 LEU 70 - HA ILE 7 far 0 95 0 - 9.2-12.8 QD1 LEU 27 - HA ILE 7 far 0 77 0 - 9.9-11.0 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 2.1-2.4 3.9=96, 6090/6087=60...(21) HG LEU 29 - HA ILE 7 far 0 99 0 - 5.7-6.4 HB2 LEU 38 - HA ILE 7 far 0 75 0 - 7.2-10.6 HG LEU 38 - HA ILE 7 far 0 68 0 - 7.7-10.6 QB ALA 22 - HA ILE 7 far 0 99 0 - 8.2-9.3 QB ALA 71 - HA ILE 7 far 0 97 0 - 9.2-10.3 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 5 assignments used, quality = 1.00: * HG13 ILE 7 + HA ILE 7 OK 100 100 100 100 2.8-3.4 3.9=100 HG13 ILE 8 + HA ILE 7 OK 24 100 25 96 3.5-5.8 4.6/6087=51, 2.9/8299=45...(13) QD1 LEU 38 - HA ILE 7 far 0 71 0 - 5.2-8.9 QG1 VAL 32 - HA ILE 7 far 0 97 0 - 5.9-6.6 QD2 LEU 64 - HA ILE 7 far 0 75 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 239 from cnoeabs.peaks (0.62, 5.13, 58.46 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 7 + HA ILE 7 OK 100 100 100 100 3.3-3.8 4.2=81, 2.1/237=69...(22) QG2 ILE 56 + HA ILE 7 OK 85 91 100 94 3.2-4.7 6932/9332=52...(13) QD2 LEU 29 - HA ILE 7 far 0 90 0 - 4.8-6.5 QD1 LEU 29 - HA ILE 7 far 0 71 0 - 4.9-5.6 QG2 VAL 54 - HA ILE 7 far 0 70 0 - 9.0-9.9 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 3 assignments used, quality = 1.00: * H ILE 8 + HA ILE 7 OK 100 100 100 100 2.2-2.3 6087=100, 256/3.0=36...(20) H ARG 81 - HA ILE 7 far 0 59 0 - 6.7-7.6 H SER 59 - HA ILE 7 far 0 100 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 241 from cnoeabs.peaks (8.46, 1.52, 41.02 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 7 + HB ILE 7 OK 100 100 100 100 2.5-3.2 6079=100, 6077/2.1=82...(18) H VAL 32 - HB ILE 7 far 0 90 0 - 5.2-5.8 H THR 31 - HB ILE 7 far 0 61 0 - 6.7-6.9 H LEU 29 - HB ILE 7 far 0 100 0 - 8.4-9.1 H ILE 7 - HB2 LEU 14 far 0 91 0 - 8.7-11.2 H VAL 32 - HB2 LEU 14 far 0 77 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 242 from cnoeabs.peaks (5.13, 1.52, 41.02 ppm; 3.77 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 7 + HB ILE 7 OK 100 100 100 100 2.5-2.6 3.0=100 HA SER 85 - HB2 LEU 14 far 0 90 0 - 4.7-6.6 HA VAL 5 - HB ILE 7 far 0 85 0 - 6.4-6.9 HA ILE 7 - HB2 LEU 14 far 0 91 0 - 7.4-9.7 HA TYR 4 - HB ILE 7 far 0 98 0 - 9.6-10.3 HA VAL 54 - HB ILE 7 far 0 81 0 - 9.8-10.6 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): 2 out of 20 assignments used, quality = 1.00: * QG2 ILE 7 + HB ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 57 + HB ILE 7 OK 58 100 60 96 2.9-5.3 3.1/8277=28, 236/3.0=20...(30) QG2 ILE 15 - HB ILE 7 far 15 99 15 - 3.9-5.2 QD1 ILE 15 - HB2 LEU 14 far 2 49 5 - 3.8-5.4 QD1 ILE 93 - HB ILE 7 far 0 79 0 - 4.2-5.3 QG2 ILE 7 - HB2 LEU 14 far 0 91 0 - 4.8-6.9 QD1 ILE 15 - HB ILE 7 far 0 59 0 - 4.9-6.0 QD1 LEU 57 - HB ILE 7 far 0 79 0 - 5.2-6.1 QG2 ILE 15 - HB2 LEU 14 far 0 88 0 - 5.4-6.8 QG2 VAL 32 - HB ILE 7 far 0 71 0 - 5.6-6.6 QD2 LEU 38 - HB ILE 7 far 0 87 0 - 6.6-9.8 QD1 LEU 6 - HB ILE 7 far 0 81 0 - 6.6-7.3 QD1 LEU 57 - HB2 LEU 14 far 0 66 0 - 6.9-9.8 QG2 ILE 8 - HB ILE 7 far 0 98 0 - 6.9-7.0 QG1 VAL 54 - HB ILE 7 far 0 63 0 - 7.0-7.8 QG2 ILE 8 - HB2 LEU 14 far 0 87 0 - 7.5-9.5 QD1 ILE 93 - HB2 LEU 14 far 0 66 0 - 7.8-9.1 QD2 LEU 57 - HB2 LEU 14 far 0 91 0 - 8.6-10.0 QD1 LEU 27 - HB ILE 7 far 0 77 0 - 8.9-9.9 QD2 LEU 42 - HB ILE 7 far 0 73 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 245 from cnoeabs.peaks (1.42, 1.52, 41.02 ppm; 3.54 A): 2 out of 11 assignments used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 100 100 2.4-2.7 2.9=100 HG LEU 29 + HB ILE 7 OK 77 99 95 82 3.8-4.6 253/2.1=29, 2.1/10141=29...(8) HG12 ILE 7 - HB2 LEU 14 far 0 91 0 - 5.6-7.6 HG2 LYS 13 - HB2 LEU 14 far 0 90 0 - 5.7-7.5 QB ALA 22 - HB ILE 7 far 0 99 0 - 6.4-7.6 HG2 LYS 12 - HB2 LEU 14 far 0 78 0 - 7.9-9.2 HB2 LEU 38 - HB ILE 7 far 0 75 0 - 9.0-12.4 HG2 LYS 20 - HB ILE 7 far 0 71 0 - 9.6-12.7 HG LEU 38 - HB ILE 7 far 0 68 0 - 9.7-12.5 HG2 LYS 12 - HB ILE 7 far 0 91 0 - 9.8-11.2 HB2 LEU 27 - HB ILE 7 far 0 71 0 - 9.9-11.1 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 5 assignments used, quality = 1.00: * HG13 ILE 7 + HB ILE 7 OK 100 100 100 100 2.9-3.0 2.9=100 HG13 ILE 7 - HB2 LEU 14 far 5 91 5 - 4.7-7.0 HG13 ILE 8 - HB ILE 7 far 0 100 0 - 5.8-7.8 QD1 LEU 38 - HB ILE 7 far 0 71 0 - 6.9-10.6 QG1 VAL 32 - HB ILE 7 far 0 97 0 - 7.2-7.8 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 9 assignments used, quality = 1.00: * QD1 ILE 7 + HB ILE 7 OK 100 100 100 100 2.0-2.4 3.2=100 QD2 LEU 29 + HB ILE 7 OK 68 90 85 89 3.0-4.6 10501/2.1=34...(14) QD1 LEU 29 + HB ILE 7 OK 59 71 100 83 2.9-3.7 2.1/245=28, ~10501=21...(13) QD1 ILE 7 - HB2 LEU 14 far 5 91 5 - 3.0-5.1 QG2 ILE 56 - HB ILE 7 far 0 91 0 - 5.2-6.7 QD1 LEU 29 - HB2 LEU 14 far 0 59 0 - 7.7-9.3 QD2 LEU 29 - HB2 LEU 14 far 0 77 0 - 8.2-9.9 QG2 VAL 54 - HB ILE 7 far 0 70 0 - 9.5-10.4 QG2 ILE 56 - HB2 LEU 14 far 0 78 0 - 9.6-12.4 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 4.1-4.2 4.5=100 H ILE 8 - HB2 LEU 14 far 0 91 0 - 6.6-9.0 H ALA 22 - HB ILE 7 far 0 94 0 - 8.1-9.0 H SER 59 - HB2 LEU 14 far 0 91 0 - 8.2-9.9 H ARG 81 - HB ILE 7 far 0 59 0 - 8.7-9.5 H SER 59 - HB ILE 7 far 0 100 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 249 from cnoeabs.peaks (8.46, 0.80, 16.81 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.2-2.5 6077=74, 6075/2.1=66...(21) H VAL 32 + QG2 ILE 7 OK 83 90 100 93 2.8-3.3 4.0/8282=41...(14) H THR 31 - QG2 ILE 7 far 0 61 0 - 4.4-4.7 H LEU 29 - QG2 ILE 7 far 0 100 0 - 7.4-8.1 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 5 assignments used, quality = 1.00: * HA ILE 7 + QG2 ILE 7 OK 100 100 100 100 3.2-3.2 3.0=100 HA VAL 5 - QG2 ILE 7 far 0 85 0 - 6.9-7.3 HA TYR 4 - QG2 ILE 7 far 0 98 0 - 9.2-9.8 HA SER 85 - QG2 ILE 7 far 0 100 0 - 9.4-10.6 HA VAL 54 - QG2 ILE 7 far 0 81 0 - 9.6-10.3 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 9 assignments used, quality = 1.00: * HB ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 14 - QG2 ILE 7 far 0 100 0 - 4.8-6.9 HG LEU 57 - QG2 ILE 7 far 0 91 0 - 5.5-6.5 HG3 LYS 33 - QG2 ILE 7 far 0 94 0 - 5.6-6.5 HG LEU 6 - QG2 ILE 7 far 0 100 0 - 6.1-6.9 HG2 LYS 33 - QG2 ILE 7 far 0 84 0 - 6.8-7.7 HG3 ARG 30 - QG2 ILE 7 far 0 99 0 - 6.8-7.7 HG12 ILE 56 - QG2 ILE 7 far 0 99 0 - 7.2-9.4 HG3 LYS 13 - QG2 ILE 7 far 0 85 0 - 9.2-10.2 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 10 assignments used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 100 100 3.1-3.2 3.2=100 HG LEU 29 + QG2 ILE 7 OK 75 99 90 85 3.9-4.4 2.1/10501=42, 245/2.1=29...(11) QB ALA 22 - QG2 ILE 7 far 0 99 0 - 6.1-7.2 HG2 LYS 12 - QG2 ILE 7 far 0 91 0 - 6.4-7.5 HB2 LEU 38 - QG2 ILE 7 far 0 75 0 - 7.2-10.1 HG LEU 38 - QG2 ILE 7 far 0 68 0 - 7.7-10.2 HG2 LYS 20 - QG2 ILE 7 far 0 71 0 - 8.3-10.4 HG2 LYS 13 - QG2 ILE 7 far 0 100 0 - 9.4-10.6 HB2 LEU 27 - QG2 ILE 7 far 0 71 0 - 9.5-10.4 QB ALA 71 - QG2 ILE 7 far 0 97 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 254 from cnoeabs.peaks (0.89, 0.80, 16.81 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.0-2.4 3.2=100 HG13 ILE 8 - QG2 ILE 7 far 0 100 0 - 4.8-5.9 QG1 VAL 32 - QG2 ILE 7 far 0 97 0 - 5.2-5.8 QD1 LEU 38 - QG2 ILE 7 far 0 71 0 - 5.8-9.0 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 2.1-2.7 3.0=91, 8279/8282=20...(21) QD2 LEU 29 + QG2 ILE 7 OK 81 90 100 91 2.6-3.7 10501=40, 8731/8282=26...(21) QD1 LEU 29 + QG2 ILE 7 OK 33 71 60 76 3.2-3.9 2.1/10501=30, 2.1/253=19...(15) QG2 ILE 56 - QG2 ILE 7 far 0 91 0 - 5.0-6.2 QG2 VAL 54 - QG2 ILE 7 far 0 70 0 - 8.8-9.6 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 3.4-3.6 6087/3.0=77, 4.4=73...(15) H SER 59 - QG2 ILE 7 far 0 100 0 - 7.1-7.8 H ALA 22 - QG2 ILE 7 far 0 94 0 - 7.7-8.5 H ARG 81 - QG2 ILE 7 far 0 59 0 - 8.7-9.4 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 3 assignments used, quality = 1.00: * H ILE 7 + HG12 ILE 7 OK 100 100 100 100 4.4-4.6 4.5=96, 6082/1.8=86...(11) H VAL 32 - HG12 ILE 7 far 0 90 0 - 5.9-7.0 H THR 31 - HG12 ILE 7 far 0 61 0 - 8.7-9.0 Violated in 18 structures by 0.14 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 2.1-2.4 3.9=100 HA VAL 5 - HG12 ILE 7 far 0 85 0 - 7.6-8.6 HA SER 85 - HG12 ILE 7 far 0 100 0 - 9.1-10.4 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 7 assignments used, quality = 1.00: * HB ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.4-2.7 2.9=100 HG LEU 57 + HG12 ILE 7 OK 91 91 100 100 3.2-4.7 3.0/8284=64, ~8287=42...(26) HB2 LEU 14 - HG12 ILE 7 far 0 100 0 - 5.6-7.6 HG12 ILE 56 - HG12 ILE 7 far 0 99 0 - 7.8-9.4 HG LEU 6 - HG12 ILE 7 far 0 100 0 - 8.3-8.8 HG3 LYS 33 - HG12 ILE 7 far 0 94 0 - 9.1-10.9 HB3 LEU 64 - HG12 ILE 7 far 0 73 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 260 from cnoeabs.peaks (0.80, 1.42, 27.84 ppm; 3.53 A): 3 out of 11 assignments used, quality = 1.00: * QG2 ILE 7 + HG12 ILE 7 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 57 + HG12 ILE 7 OK 88 100 90 98 3.2-4.9 3.1/8284=39, ~8287=24...(23) QD1 LEU 57 + HG12 ILE 7 OK 31 79 40 97 3.8-5.0 3.1/8284=39, ~8287=24...(25) QD1 ILE 15 - HG12 ILE 7 far 3 59 5 - 4.2-6.0 QD1 ILE 93 - HG12 ILE 7 far 0 79 0 - 4.6-6.0 QG2 ILE 15 - HG12 ILE 7 far 0 99 0 - 5.3-6.5 QG2 ILE 8 - HG12 ILE 7 far 0 98 0 - 5.6-6.4 QG2 VAL 32 - HG12 ILE 7 far 0 71 0 - 6.5-7.5 QD2 LEU 38 - HG12 ILE 7 far 0 87 0 - 6.6-9.7 QD1 LEU 6 - HG12 ILE 7 far 0 81 0 - 7.6-8.3 QG1 VAL 54 - HG12 ILE 7 far 0 63 0 - 8.0-8.9 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 5 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 - 5.0-7.4 QD1 LEU 38 - HG12 ILE 7 far 0 71 0 - 7.0-10.6 QG1 VAL 32 - HG12 ILE 7 far 0 97 0 - 7.3-8.1 QD2 LEU 64 - HG12 ILE 7 far 0 75 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 263 from cnoeabs.peaks (0.62, 1.42, 27.84 ppm; 3.27 A): 1 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 QD1 LEU 29 - HG12 ILE 7 far 0 71 0 - 4.8-5.7 QG2 ILE 56 - HG12 ILE 7 far 0 91 0 - 4.8-6.5 QD2 LEU 29 - HG12 ILE 7 far 0 90 0 - 5.1-6.7 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 2.2-3.1 6090=100, 6087/237=72...(14) H SER 59 - HG12 ILE 7 far 0 100 0 - 6.2-7.2 H ARG 81 - HG12 ILE 7 far 0 59 0 - 7.3-8.3 H ALA 22 - HG12 ILE 7 far 0 94 0 - 9.6-11.0 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 3 assignments used, quality = 1.00: * H ILE 7 + HG13 ILE 7 OK 100 100 100 100 4.5-4.9 4.5=100 H VAL 32 + HG13 ILE 7 OK 81 90 95 95 5.3-6.0 4.0/8280=50...(8) H THR 31 - HG13 ILE 7 far 0 61 0 - 8.1-8.5 Violated in 0 structures by 0.00 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 2.8-3.4 3.9=100 HA VAL 5 - HG13 ILE 7 far 0 85 0 - 8.8-9.7 HA SER 85 - HG13 ILE 7 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 267 from cnoeabs.peaks (1.52, 0.89, 27.84 ppm; 3.95 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.9-3.0 2.9=100 HB2 LEU 14 - HG13 ILE 7 far 5 100 5 - 4.7-7.0 HG LEU 57 - HG13 ILE 7 far 0 91 0 - 5.0-6.2 HG3 LYS 33 - HG13 ILE 7 far 0 94 0 - 7.9-9.5 HG12 ILE 56 - HG13 ILE 7 far 0 99 0 - 8.7-10.5 HG LEU 6 - HG13 ILE 7 far 0 100 0 - 9.0-9.5 HG2 LYS 33 - HG13 ILE 7 far 0 84 0 - 9.5-11.0 HB3 LEU 64 - HG13 ILE 7 far 0 73 0 - 9.9-11.0 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 11 assignments used, quality = 1.00: * QG2 ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.0-2.4 3.2=100 QD1 ILE 15 + HG13 ILE 7 OK 58 59 100 99 2.7-4.7 2.1/10118=57...(20) QG2 ILE 15 + HG13 ILE 7 OK 44 99 45 99 4.3-5.8 3.2/10118=47...(24) QD2 LEU 57 + HG13 ILE 7 OK 30 100 30 99 4.6-6.3 3.1/8285=44, 260/1.8=34...(22) QD1 LEU 57 - HG13 ILE 7 far 0 79 0 - 5.1-6.4 QG2 ILE 8 - HG13 ILE 7 far 0 98 0 - 5.2-5.7 QD1 ILE 93 - HG13 ILE 7 far 0 79 0 - 5.7-6.9 QG2 VAL 32 - HG13 ILE 7 far 0 71 0 - 6.2-7.2 QD2 LEU 38 - HG13 ILE 7 far 0 87 0 - 7.0-10.0 QD1 LEU 6 - HG13 ILE 7 far 0 81 0 - 8.0-8.5 QG1 VAL 54 - HG13 ILE 7 far 0 63 0 - 8.7-9.8 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 7 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 - 6.8-7.5 QB ALA 22 - HG13 ILE 7 far 0 99 0 - 8.8-9.8 HG2 LYS 12 - HG13 ILE 7 far 0 91 0 - 8.9-10.4 HB2 LEU 38 - HG13 ILE 7 far 0 75 0 - 9.0-12.6 HG LEU 38 - HG13 ILE 7 far 0 68 0 - 9.8-13.1 HD2 LYS 82 - HG13 ILE 7 far 0 68 0 - 9.9-11.2 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): 1 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 QD1 LEU 29 - HG13 ILE 7 far 0 71 0 - 5.1-6.1 QD2 LEU 29 - HG13 ILE 7 far 0 90 0 - 5.3-6.7 QG2 ILE 56 - HG13 ILE 7 far 0 91 0 - 5.4-6.7 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 3 assignments used, quality = 1.00: * H ILE 8 + HG13 ILE 7 OK 100 100 100 100 2.2-3.1 6090/1.8=96, 6087/3.9=82...(16) H SER 59 - HG13 ILE 7 far 0 100 0 - 6.0-7.2 H ARG 81 - HG13 ILE 7 far 0 59 0 - 8.7-9.9 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 4.4-4.8 4.7=100 H VAL 32 + QD1 ILE 7 OK 38 90 45 95 5.7-6.3 4.0/8279=65, 249/3.0=42...(6) H THR 31 - QD1 ILE 7 far 0 61 0 - 7.2-7.7 H LEU 29 - QD1 ILE 7 far 0 100 0 - 8.5-9.3 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 3.3-3.8 4.2=100 HA SER 85 - QD1 ILE 7 far 0 100 0 - 6.7-8.0 HA VAL 5 - QD1 ILE 7 far 0 85 0 - 6.9-7.8 HA VAL 54 - QD1 ILE 7 far 0 81 0 - 9.8-11.1 HA TYR 4 - QD1 ILE 7 far 0 98 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 275 from cnoeabs.peaks (1.52, 0.62, 13.69 ppm; 3.60 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.0-2.4 3.2=100 HG LEU 57 + QD1 ILE 7 OK 85 91 95 99 3.1-4.7 3.0/8287=45, 3.0/8278=27...(29) HB2 LEU 14 - QD1 ILE 7 poor 19 100 20 93 3.0-5.1 3.1/10272=39...(16) HG LEU 6 - QD1 ILE 7 far 0 100 0 - 7.8-8.6 HB2 ARG 91 - QD1 ILE 7 far 0 65 0 - 7.9-10.7 HG12 ILE 56 - QD1 ILE 7 far 0 99 0 - 8.0-9.8 HG3 LYS 33 - QD1 ILE 7 far 0 94 0 - 8.2-9.4 HG3 LYS 13 - QD1 ILE 7 far 0 85 0 - 8.2-9.3 HG3 ARG 30 - QD1 ILE 7 far 0 99 0 - 9.0-10.2 HB3 LEU 64 - QD1 ILE 7 far 0 73 0 - 9.3-10.2 HG2 LYS 33 - QD1 ILE 7 far 0 84 0 - 9.5-10.7 HG2 ARG 79 - QD1 ILE 7 far 0 98 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 276 from cnoeabs.peaks (0.80, 0.62, 13.69 ppm; 2.94 A): 4 out of 12 assignments used, quality = 1.00: * QG2 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-2.7 3.0=96, 8282/8279=21...(21) QG2 ILE 15 + QD1 ILE 7 OK 64 99 70 93 3.0-4.5 3.0/8469=33, 3.2/8261=31...(26) QD2 LEU 57 + QD1 ILE 7 OK 32 100 35 92 2.9-4.9 3.1/8287=28, 2.1/275=19...(23) QD1 ILE 15 + QD1 ILE 7 OK 24 59 45 91 2.5-4.7 4.2/8261=23, 8469=22...(23) QD1 ILE 93 - QD1 ILE 7 poor 14 79 40 44 3.0-4.5 10020/8278=16, ~10999=11...(8) QD1 LEU 57 - QD1 ILE 7 far 8 79 10 - 3.7-5.5 QG2 ILE 8 - QD1 ILE 7 far 0 98 0 - 5.9-6.3 QG2 VAL 32 - QD1 ILE 7 far 0 71 0 - 6.4-7.1 QD2 LEU 38 - QD1 ILE 7 far 0 87 0 - 7.0-9.4 QD1 LEU 6 - QD1 ILE 7 far 0 81 0 - 7.3-8.1 QG1 VAL 54 - QD1 ILE 7 far 0 63 0 - 7.4-8.5 QD1 LEU 27 - QD1 ILE 7 far 0 77 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 277 from cnoeabs.peaks (1.42, 0.62, 13.69 ppm; 3.39 A): 1 out of 11 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 far 0 99 0 - 4.9-5.7 QB ALA 22 - QD1 ILE 7 far 0 99 0 - 6.0-7.0 HG2 LYS 20 - QD1 ILE 7 far 0 71 0 - 7.1-10.4 HG2 LYS 12 - QD1 ILE 7 far 0 91 0 - 7.2-8.9 HG2 LYS 13 - QD1 ILE 7 far 0 100 0 - 8.4-9.7 HG3 ARG 91 - QD1 ILE 7 far 0 81 0 - 8.4-11.5 HD2 LYS 82 - QD1 ILE 7 far 0 68 0 - 9.2-10.2 HB2 LEU 38 - QD1 ILE 7 far 0 75 0 - 9.3-12.2 HB2 LEU 27 - QD1 ILE 7 far 0 71 0 - 9.3-10.6 HG LEU 38 - QD1 ILE 7 far 0 68 0 - 9.8-12.1 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 5 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 - 6.2-7.7 QG1 VAL 32 - QD1 ILE 7 far 0 97 0 - 7.2-7.9 QD1 LEU 38 - QD1 ILE 7 far 0 71 0 - 7.3-10.3 QD2 LEU 64 - QD1 ILE 7 far 0 75 0 - 9.4-10.3 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): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + QD1 ILE 7 OK 100 100 100 100 3.9-4.2 6090/2.1=95, 256/3.0=85...(15) H SER 59 - QD1 ILE 7 far 0 100 0 - 6.5-7.3 H ALA 22 - QD1 ILE 7 far 0 94 0 - 6.8-7.8 H ARG 81 - QD1 ILE 7 far 0 59 0 - 7.4-8.7 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 6.0-6.8 9400/3.0=98, 9396/3.2=97...(7) H ARG 81 - HA ILE 8 far 0 59 0 - 9.7-10.8 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 5 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 - 5.5-7.5 HB3 LYS 33 - HA ILE 8 far 0 92 0 - 5.9-7.9 HB3 LEU 14 - HA ILE 8 far 0 100 0 - 7.4-8.9 HB3 LYS 66 - HA ILE 8 far 0 70 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 284 from cnoeabs.peaks (0.79, 4.61, 60.23 ppm; 3.66 A): 2 out of 12 assignments used, quality = 1.00: * QG2 ILE 8 + HA ILE 8 OK 100 100 100 100 2.3-2.4 3.2=100 QG2 ILE 7 + HA ILE 8 OK 97 98 100 99 3.5-3.8 256/3.0=50, ~6088=27...(23) QD1 ILE 15 - HA ILE 8 poor 9 82 25 45 4.2-5.1 8436/6102=28...(5) QD2 LEU 38 - HA ILE 8 far 0 65 0 - 4.8-7.0 HG13 ILE 15 - HA ILE 8 far 0 73 0 - 5.1-6.1 QG2 ILE 15 - HA ILE 8 far 0 88 0 - 5.9-7.1 QD1 LEU 6 - HA ILE 8 far 0 96 0 - 6.6-7.6 QD2 LEU 57 - HA ILE 8 far 0 99 0 - 6.8-8.0 QD1 LEU 70 - HA ILE 8 far 0 79 0 - 8.2-11.7 QD1 ILE 93 - HA ILE 8 far 0 95 0 - 8.8-9.9 QG1 VAL 54 - HA ILE 8 far 0 85 0 - 8.9-9.7 QD2 LEU 42 - HA ILE 8 far 0 92 0 - 9.8-11.4 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 2.2-2.6 4.1=100 QB ALA 67 - HA ILE 8 far 0 84 0 - 6.4-7.4 QB ALA 89 - HA ILE 8 far 0 87 0 - 7.6-9.0 HG LEU 14 - HA ILE 8 far 0 98 0 - 8.5-10.1 HB3 ARG 30 - HA ILE 8 far 0 99 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 286 from cnoeabs.peaks (0.89, 4.61, 60.23 ppm; 4.48 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 8 + HA ILE 8 OK 100 100 100 100 2.9-3.3 4.1=100 HG13 ILE 7 + HA ILE 8 OK 100 100 100 100 4.0-4.4 6106/6102=79, 272/3.0=58...(17) QG1 VAL 32 + HA ILE 8 OK 91 92 100 99 3.5-4.4 2.1/10163=71...(10) QD1 LEU 38 - HA ILE 8 far 8 82 10 - 5.0-8.9 Violated in 0 structures by 0.00 A. Peak 287 from cnoeabs.peaks (0.71, 4.61, 60.23 ppm; 4.21 A): 2 out of 13 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 89 99 90 100 4.3-5.2 10224/3.0=72...(20) QD2 LEU 14 - HA ILE 8 far 0 100 0 - 5.4-6.5 QD2 LEU 6 - HA ILE 8 far 0 88 0 - 5.8-7.6 QD1 ILE 56 - HA ILE 8 far 0 100 0 - 6.6-8.9 QG2 VAL 58 - HA ILE 8 far 0 70 0 - 6.6-7.3 QD1 LEU 14 - HA ILE 8 far 0 73 0 - 7.1-8.4 QG1 VAL 5 - HA ILE 8 far 0 95 0 - 7.5-8.4 HG13 ILE 56 - HA ILE 8 far 0 100 0 - 7.5-9.9 QD1 LEU 42 - HA ILE 8 far 0 91 0 - 9.0-10.8 QD1 LEU 64 - HA ILE 8 far 0 73 0 - 9.4-10.2 QG1 VAL 78 - HA ILE 8 far 0 65 0 - 9.8-12.5 QG2 VAL 78 - HA ILE 8 far 0 98 0 - 9.9-12.2 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 2 assignments used, quality = 1.00: * H SER 9 + HA ILE 8 OK 100 100 100 100 2.2-2.2 6102=100, 304/3.2=44...(19) HE ARG 30 - HA ILE 8 far 0 90 0 - 9.4-13.6 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 2.6-2.8 6094=100, 6096/2.9=57...(13) H SER 59 + HB ILE 8 OK 94 100 95 99 3.5-4.7 9400=59, 6958/9374=54...(10) H ARG 81 - HB ILE 8 far 0 59 0 - 7.4-8.6 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 HB THR 34 - HB ILE 8 far 0 96 0 - 9.2-10.8 HA THR 84 - HB ILE 8 far 0 73 0 - 9.3-11.0 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 far 0 65 0 - 4.3-6.1 QG2 ILE 7 - HB ILE 8 far 0 98 0 - 5.3-5.5 QD1 ILE 15 - HB ILE 8 far 0 82 0 - 6.0-7.1 QD2 LEU 57 - HB ILE 8 far 0 99 0 - 6.3-7.1 QD1 LEU 6 - HB ILE 8 far 0 96 0 - 6.9-7.7 HG13 ILE 15 - HB ILE 8 far 0 73 0 - 7.3-8.0 QD1 LEU 70 - HB ILE 8 far 0 79 0 - 7.3-11.0 QG2 ILE 15 - HB ILE 8 far 0 88 0 - 8.1-9.1 QG1 VAL 54 - HB ILE 8 far 0 85 0 - 8.6-9.7 QD1 ILE 93 - HB ILE 8 far 0 95 0 - 9.0-10.3 QD2 LEU 42 - HB ILE 8 far 0 92 0 - 9.2-10.7 QD2 LEU 70 - HB ILE 8 far 0 91 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 293 from cnoeabs.peaks (1.36, 1.90, 37.66 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 8 + HB ILE 8 OK 100 100 100 100 2.7-3.0 2.9=100 QB ALA 67 - HB ILE 8 far 13 84 15 - 4.6-5.5 HB2 LYS 82 - HB ILE 8 far 0 92 0 - 7.2-8.8 QB ALA 89 - HB ILE 8 far 0 87 0 - 7.4-9.0 HG LEU 14 - HB ILE 8 far 0 98 0 - 8.9-10.5 HG3 LYS 68 - HB ILE 8 far 0 97 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 294 from cnoeabs.peaks (0.89, 1.90, 37.66 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 8 + HB ILE 8 OK 100 100 100 100 2.4-3.0 2.9=100 QG1 VAL 32 + HB ILE 8 OK 87 92 95 100 4.3-5.2 10336/2.9=46, ~12204=36...(19) HG13 ILE 7 - HB ILE 8 far 15 100 15 - 4.8-5.6 QD1 LEU 38 - HB ILE 8 far 8 82 10 - 4.4-7.9 QD2 LEU 64 - HB ILE 8 far 0 85 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 295 from cnoeabs.peaks (0.71, 1.90, 37.66 ppm; 3.29 A): 2 out of 14 assignments used, quality = 1.00: * QD1 ILE 8 + HB ILE 8 OK 100 100 100 100 2.0-2.5 3.2=100 QG1 VAL 58 + HB ILE 8 OK 98 99 100 100 1.9-2.9 10224=81, 3.2/9374=44...(28) QG2 VAL 58 - HB ILE 8 far 3 70 5 - 4.2-5.0 QD2 LEU 14 - HB ILE 8 far 0 100 0 - 5.6-6.9 QD1 ILE 56 - HB ILE 8 far 0 100 0 - 5.7-7.4 QD2 LEU 6 - HB ILE 8 far 0 88 0 - 6.7-8.4 HG13 ILE 56 - HB ILE 8 far 0 100 0 - 6.9-8.7 QD1 LEU 64 - HB ILE 8 far 0 73 0 - 7.0-7.8 QD1 LEU 14 - HB ILE 8 far 0 73 0 - 7.1-8.5 QG1 VAL 5 - HB ILE 8 far 0 95 0 - 7.6-8.6 QD1 LEU 42 - HB ILE 8 far 0 91 0 - 8.3-9.9 QG2 VAL 78 - HB ILE 8 far 0 98 0 - 8.6-11.3 QG1 VAL 78 - HB ILE 8 far 0 65 0 - 8.7-11.7 HG3 ARG 81 - HB ILE 8 far 0 77 0 - 9.6-12.3 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 4.4-4.5 4.4=100 H LYS 66 - HB ILE 8 far 0 99 0 - 8.0-9.1 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 3.8-3.9 4.0=84, 6094/2.1=77...(13) H SER 59 + QG2 ILE 8 OK 98 100 100 98 3.5-4.5 9400/2.1=56, 9396=53...(14) H ILE 8 - QG2 ILE 15 far 0 70 0 - 6.2-7.4 H ALA 22 - QG2 ILE 15 far 0 61 0 - 7.3-8.5 H ARG 81 - QG2 ILE 8 far 0 59 0 - 8.1-9.1 H SER 59 - QG2 ILE 15 far 0 70 0 - 9.6-10.9 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 2.3-2.4 3.2=100 HB THR 34 - QG2 ILE 8 far 0 96 0 - 5.9-7.3 HA ILE 8 - QG2 ILE 15 far 0 70 0 - 5.9-7.1 HA ASP 11 - QG2 ILE 15 far 0 64 0 - 7.0-7.4 HA THR 84 - QG2 ILE 8 far 0 73 0 - 8.6-10.2 HA ASP 11 - QG2 ILE 8 far 0 96 0 - 8.8-9.2 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 26 assignments used, quality = 1.00: * HB ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 ARG 19 + QG2 ILE 15 OK 27 42 75 86 2.8-5.0 1.8/8514=25, 3.0/8519=22...(15) HB2 ARG 19 - QG2 ILE 15 poor 14 70 20 - 2.9-5.3 HB2 LYS 33 - QG2 ILE 8 far 0 90 0 - 4.2-6.3 HB2 LYS 12 - QG2 ILE 15 far 0 46 0 - 4.3-5.2 HB VAL 54 - QG2 ILE 52 far 0 66 0 - 4.4-6.4 HB3 LYS 33 - QG2 ILE 8 far 0 92 0 - 4.7-6.6 HB3 LYS 66 - QG2 ILE 8 far 0 70 0 - 5.1-6.8 HB3 LEU 14 - QG2 ILE 15 far 0 69 0 - 5.5-6.5 HB3 LYS 12 - QG2 ILE 15 far 0 48 0 - 5.5-6.2 HB3 LYS 47 - QG2 ILE 52 far 0 47 0 - 6.3-8.0 HG LEU 42 - QG2 ILE 52 far 0 68 0 - 6.8-9.5 HB3 LYS 20 - QG2 ILE 15 far 0 35 0 - 6.9-8.3 HB2 LYS 13 - QG2 ILE 15 far 0 58 0 - 7.1-7.8 HB2 LYS 20 - QG2 ILE 15 far 0 69 0 - 7.1-9.3 HB VAL 5 - QG2 ILE 15 far 0 42 0 - 7.2-8.3 HB3 LYS 13 - QG2 ILE 15 far 0 60 0 - 7.3-8.0 HB3 LEU 14 - QG2 ILE 8 far 0 100 0 - 7.5-8.6 HB3 LYS 33 - QG2 ILE 15 far 0 59 0 - 7.9-9.9 HB ILE 8 - QG2 ILE 15 far 0 70 0 - 8.1-9.1 HB2 LYS 33 - QG2 ILE 15 far 0 57 0 - 8.2-9.7 HB2 GLU 43 - QG2 ILE 52 far 0 65 0 - 8.8-10.3 HG LEU 42 - QG2 ILE 8 far 0 100 0 - 8.9-10.3 HB3 LYS 68 - QG2 ILE 8 far 0 87 0 - 9.0-11.2 HB VAL 5 - QG2 ILE 52 far 0 40 0 - 9.5-11.5 HB3 LYS 39 - QG2 ILE 8 far 0 71 0 - 9.9-11.4 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): 1 out of 20 assignments used, quality = 1.00: * HG12 ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.4-3.1 3.1=100 QB ALA 67 - QG2 ILE 8 far 13 84 15 - 4.5-5.5 QB ALA 89 - QG2 ILE 15 far 0 55 0 - 5.6-6.6 HG LEU 14 - QG2 ILE 15 far 0 66 0 - 5.6-7.1 HB3 LEU 2 - QG2 ILE 52 far 0 46 0 - 5.9-7.5 HB3 ARG 30 - QG2 ILE 15 far 0 69 0 - 6.7-7.8 HG12 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.1-8.4 HB2 LYS 82 - QG2 ILE 8 far 0 92 0 - 7.2-8.9 QB ALA 89 - QG2 ILE 8 far 0 87 0 - 7.5-8.8 HB2 LEU 70 - QG2 ILE 8 far 0 100 0 - 8.5-9.9 HG LEU 14 - QG2 ILE 8 far 0 98 0 - 8.6-9.8 HB3 LEU 27 - QG2 ILE 52 far 0 59 0 - 8.8-10.6 HG2 LYS 39 - QG2 ILE 8 far 0 94 0 - 8.9-12.0 HG3 LYS 68 - QG2 ILE 8 far 0 97 0 - 9.0-11.5 QB ALA 67 - QG2 ILE 52 far 0 51 0 - 9.1-11.6 HB3 ARG 30 - QG2 ILE 8 far 0 99 0 - 9.1-10.1 HB3 ARG 30 - QG2 ILE 52 far 0 67 0 - 9.3-11.8 QB ALA 25 - QG2 ILE 15 far 0 55 0 - 9.8-10.9 QB ALA 67 - QG2 ILE 15 far 0 52 0 - 9.8-10.9 HG2 LYS 39 - QG2 ILE 52 far 0 60 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 302 from cnoeabs.peaks (0.89, 0.79, 17.45 ppm; 2.93 A): 3 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=30...(10) QG1 VAL 32 + QG2 ILE 8 OK 84 92 100 92 2.2-3.4 2.1/12205=33...(18) QG2 ILE 76 + QG2 ILE 52 OK 53 68 100 78 2.2-3.6 3431=27, 9065/9066=20...(18) QD1 LEU 38 - QG2 ILE 8 far 4 82 5 - 3.8-6.8 QD1 LEU 2 - QG2 ILE 52 far 3 68 5 - 3.6-5.8 HG13 ILE 7 - QG2 ILE 15 far 0 69 0 - 4.3-5.8 HG13 ILE 7 - QG2 ILE 8 far 0 100 0 - 5.2-5.7 QG1 VAL 32 - QG2 ILE 15 far 0 59 0 - 7.3-8.1 QD1 LEU 38 - QG2 ILE 52 far 0 49 0 - 7.5-11.5 QD1 LEU 103 - QG2 ILE 52 far 0 54 0 - 7.5-14.4 QD2 LEU 64 - QG2 ILE 8 far 0 85 0 - 7.6-8.6 HG13 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.7-9.3 QD1 LEU 38 - QG2 ILE 15 far 0 51 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 303 from cnoeabs.peaks (0.71, 0.79, 17.45 ppm; 2.71 A): 3 out of 33 assignments used, quality = 1.00: QG1 VAL 58 + QG2 ILE 8 OK 95 99 100 96 2.6-3.6 10224/2.1=39...(27) * QD1 ILE 8 + QG2 ILE 8 OK 93 100 100 93 1.9-3.0 3.0=77, 2.1/302=21...(15) QD1 ILE 52 + QG2 ILE 52 OK 58 62 100 93 1.9-2.5 3.1=68, 2.1/2369=22...(21) QG1 VAL 78 - QG2 ILE 52 far 2 38 5 - 3.5-6.8 QG2 VAL 78 - QG2 ILE 52 far 0 64 0 - 3.9-7.4 QD2 LEU 14 - QG2 ILE 15 far 0 70 0 - 4.3-5.1 QG2 VAL 58 - QG2 ILE 8 far 0 70 0 - 4.5-5.4 QG1 VAL 5 - QG2 ILE 15 far 0 62 0 - 5.5-7.1 QD2 LEU 14 - QG2 ILE 8 far 0 100 0 - 5.5-6.6 QD1 ILE 56 - QG2 ILE 8 far 0 100 0 - 5.9-7.1 QD2 LEU 6 - QG2 ILE 15 far 0 56 0 - 5.9-7.1 QD2 LEU 6 - QG2 ILE 8 far 0 88 0 - 6.0-7.7 QD1 LEU 14 - QG2 ILE 15 far 0 44 0 - 6.3-6.8 QD1 LEU 42 - QG2 ILE 52 far 0 56 0 - 6.5-8.7 QD1 LEU 14 - QG2 ILE 8 far 0 73 0 - 6.6-7.9 QD2 LEU 6 - QG2 ILE 52 far 0 54 0 - 6.6-10.0 QD1 ILE 56 - QG2 ILE 52 far 0 68 0 - 6.7-9.1 QD1 LEU 64 - QG2 ILE 8 far 0 73 0 - 6.9-7.8 QD1 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.0-8.7 HG13 ILE 56 - QG2 ILE 8 far 0 100 0 - 7.0-8.7 QD1 LEU 42 - QG2 ILE 8 far 0 91 0 - 7.2-8.7 QD2 LEU 27 - QG2 ILE 52 far 0 58 0 - 7.4-8.4 HG13 ILE 93 - QG2 ILE 15 far 0 42 0 - 7.6-9.2 HG13 ILE 56 - QG2 ILE 52 far 0 68 0 - 7.7-10.7 QG1 VAL 5 - QG2 ILE 8 far 0 95 0 - 7.8-8.5 QG1 VAL 58 - QG2 ILE 15 far 0 67 0 - 8.0-9.2 QG2 VAL 78 - QG2 ILE 8 far 0 98 0 - 8.2-10.2 QD1 ILE 56 - QG2 ILE 15 far 0 70 0 - 8.2-11.3 QG1 VAL 5 - QG2 ILE 52 far 0 60 0 - 8.3-10.3 QG1 VAL 78 - QG2 ILE 8 far 0 65 0 - 8.4-10.6 QG2 VAL 58 - QG2 ILE 15 far 0 42 0 - 9.3-10.4 HG13 ILE 56 - QG2 ILE 15 far 0 70 0 - 9.6-12.2 QD1 ILE 8 - QG2 ILE 52 far 0 69 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 304 from cnoeabs.peaks (7.81, 0.79, 17.45 ppm; 3.93 A): 1 out of 11 assignments used, quality = 1.00: * H SER 9 + QG2 ILE 8 OK 100 100 100 100 3.0-3.2 4.1=87, 6102/3.2=77...(13) H LYS 20 - QG2 ILE 15 far 0 60 0 - 5.2-6.3 H SER 9 - QG2 ILE 15 far 0 70 0 - 5.4-6.3 HE ARG 30 - QG2 ILE 15 far 0 57 0 - 6.1-9.9 H LEU 3 - QG2 ILE 52 far 0 42 0 - 6.4-7.7 H LYS 66 - QG2 ILE 8 far 0 99 0 - 6.4-7.9 H GLU 28 - QG2 ILE 52 far 0 64 0 - 8.6-10.1 H TYR 41 - QG2 ILE 52 far 0 64 0 - 9.1-11.6 H TYR 41 - QG2 ILE 8 far 0 98 0 - 9.4-10.2 HE ARG 30 - QG2 ILE 52 far 0 55 0 - 9.5-14.4 HE ARG 30 - QG2 ILE 8 far 0 90 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 305 from cnoeabs.peaks (8.80, 1.36, 26.30 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 8 + HG12 ILE 8 OK 100 100 100 100 3.0-3.8 6096=100, 6094/2.9=75...(16) H SER 59 - HG12 ILE 8 far 0 100 0 - 6.3-7.5 H ARG 81 - HG12 ILE 8 far 0 59 0 - 8.1-10.1 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 2.2-2.6 4.1=100 HB THR 34 - HG12 ILE 8 far 0 96 0 - 8.2-10.0 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 8 assignments used, quality = 1.00: * HB ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.7-3.0 2.9=100 HB2 LYS 33 - HG12 ILE 8 far 0 90 0 - 6.2-8.6 HB3 LYS 33 - HG12 ILE 8 far 0 92 0 - 6.4-8.6 HB3 LYS 66 - HG12 ILE 8 far 0 70 0 - 6.9-9.6 HG LEU 42 - HG12 ILE 8 far 0 100 0 - 8.1-10.0 HB3 LEU 14 - HG12 ILE 8 far 0 100 0 - 9.3-10.8 HB VAL 5 - HG12 ILE 8 far 0 70 0 - 9.3-10.9 HB VAL 54 - HG12 ILE 8 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (0.79, 1.36, 26.30 ppm; 3.67 A): 3 out of 13 assignments used, quality = 1.00: * QG2 ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.4-3.1 3.1=100 QG2 ILE 7 + HG12 ILE 8 OK 67 98 75 91 4.3-4.9 256/6096=43, 3.0/8303=26...(14) QD2 LEU 38 + HG12 ILE 8 OK 43 65 85 77 2.9-5.3 316/1.8=22, 324/2.1=17...(17) QD1 LEU 6 - HG12 ILE 8 far 0 96 0 - 5.0-5.9 QD2 LEU 57 - HG12 ILE 8 far 0 99 0 - 5.9-7.8 QD1 ILE 15 - HG12 ILE 8 far 0 82 0 - 6.0-7.0 QD1 LEU 70 - HG12 ILE 8 far 0 79 0 - 6.2-10.2 HG13 ILE 15 - HG12 ILE 8 far 0 73 0 - 6.7-8.1 QG2 ILE 15 - HG12 ILE 8 far 0 88 0 - 7.1-8.4 QG1 VAL 54 - HG12 ILE 8 far 0 85 0 - 7.1-8.1 QD2 LEU 42 - HG12 ILE 8 far 0 92 0 - 7.8-9.6 QD2 LEU 70 - HG12 ILE 8 far 0 91 0 - 8.6-10.4 QD1 ILE 93 - HG12 ILE 8 far 0 95 0 - 9.0-10.4 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): 2 out of 5 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 89 92 100 96 2.1-3.3 2.1/12204=43, 10336=29...(18) QD1 LEU 38 - HG12 ILE 8 far 8 82 10 - 2.9-7.0 HG13 ILE 7 - HG12 ILE 8 far 0 100 0 - 5.0-6.1 QD2 LEU 64 - HG12 ILE 8 far 0 85 0 - 9.6-10.7 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 93 99 95 99 3.5-4.3 10224/2.9=47, 319/1.8=32...(29) QD2 LEU 6 - HG12 ILE 8 far 0 88 0 - 4.4-6.5 QD1 ILE 56 - HG12 ILE 8 far 0 100 0 - 4.6-6.9 HG13 ILE 56 - HG12 ILE 8 far 0 100 0 - 5.4-7.9 QG2 VAL 58 - HG12 ILE 8 far 0 70 0 - 6.1-6.7 QD2 LEU 14 - HG12 ILE 8 far 0 100 0 - 6.6-8.0 QG1 VAL 5 - HG12 ILE 8 far 0 95 0 - 6.6-8.0 QD1 LEU 42 - HG12 ILE 8 far 0 91 0 - 7.0-8.9 QG1 VAL 78 - HG12 ILE 8 far 0 65 0 - 7.8-10.8 QG2 VAL 78 - HG12 ILE 8 far 0 98 0 - 7.9-10.2 QD1 LEU 64 - HG12 ILE 8 far 0 73 0 - 8.1-9.4 QD1 LEU 14 - HG12 ILE 8 far 0 73 0 - 8.4-9.6 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 4.4-4.8 6105=100, 6102/4.1=97...(13) HE ARG 30 - HG12 ILE 8 far 0 90 0 - 8.7-13.0 H LYS 66 - HG12 ILE 8 far 0 99 0 - 8.8-10.7 H TYR 41 - HG12 ILE 8 far 0 98 0 - 9.1-9.7 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 2.8-4.6 4.6=100 H SER 59 - HG13 ILE 8 far 0 100 0 - 5.8-7.4 H ARG 81 - HG13 ILE 8 far 0 59 0 - 7.3-10.2 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 2.9-3.3 4.1=100 HB THR 34 - HG13 ILE 8 far 0 96 0 - 7.1-10.7 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 10 assignments used, quality = 1.00: * HB ILE 8 + HG13 ILE 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 33 - HG13 ILE 8 far 0 92 0 - 6.1-9.4 HB2 LYS 33 - HG13 ILE 8 far 0 90 0 - 6.2-9.5 HB3 LYS 66 - HG13 ILE 8 far 0 70 0 - 6.3-8.3 HG LEU 42 - HG13 ILE 8 far 0 100 0 - 8.2-9.9 HB VAL 5 - HG13 ILE 8 far 0 70 0 - 9.4-12.1 HB3 LEU 14 - HG13 ILE 8 far 0 100 0 - 9.5-11.7 HB3 LYS 68 - HG13 ILE 8 far 0 87 0 - 9.6-12.6 HB VAL 54 - HG13 ILE 8 far 0 99 0 - 9.7-12.0 HB3 LYS 39 - HG13 ILE 8 far 0 71 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 316 from cnoeabs.peaks (0.79, 0.89, 26.30 ppm; 3.42 A): 2 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 QD2 LEU 38 + HG13 ILE 8 OK 38 65 90 64 2.4-4.5 324/2.1=16, 308/1.8=13...(11) QG2 ILE 7 - HG13 ILE 8 far 0 98 0 - 4.8-5.9 QD1 LEU 6 - HG13 ILE 8 far 0 96 0 - 5.1-6.4 QD2 LEU 57 - HG13 ILE 8 far 0 99 0 - 5.5-8.3 QD1 LEU 70 - HG13 ILE 8 far 0 79 0 - 6.0-9.2 QD1 ILE 15 - HG13 ILE 8 far 0 82 0 - 6.7-7.7 QG1 VAL 54 - HG13 ILE 8 far 0 85 0 - 7.0-8.8 QG2 ILE 15 - HG13 ILE 8 far 0 88 0 - 7.7-9.3 HG13 ILE 15 - HG13 ILE 8 far 0 73 0 - 7.8-9.1 QD2 LEU 42 - HG13 ILE 8 far 0 92 0 - 7.9-9.5 QD2 LEU 70 - HG13 ILE 8 far 0 91 0 - 8.3-10.5 QD1 ILE 93 - HG13 ILE 8 far 0 95 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 317 from cnoeabs.peaks (1.36, 0.89, 26.30 ppm; 3.19 A): 1 out of 8 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 far 8 84 10 - 3.8-5.5 QB ALA 89 - HG13 ILE 8 far 0 87 0 - 7.8-10.8 HB2 LYS 82 - HG13 ILE 8 far 0 92 0 - 8.3-11.1 HB3 ARG 30 - HG13 ILE 8 far 0 99 0 - 8.6-10.2 HB2 LEU 70 - HG13 ILE 8 far 0 100 0 - 8.7-10.6 HG LEU 14 - HG13 ILE 8 far 0 98 0 - 9.6-12.7 HG2 LYS 39 - HG13 ILE 8 far 0 94 0 - 10.0-12.9 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 14 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 2.5-4.2 10224/2.9=52, 311/1.8=36...(26) HG13 ILE 56 - HG13 ILE 8 far 0 100 0 - 4.7-8.6 QD1 ILE 56 - HG13 ILE 8 far 0 100 0 - 4.8-6.9 QG2 VAL 58 - HG13 ILE 8 far 0 70 0 - 5.1-6.8 QD2 LEU 6 - HG13 ILE 8 far 0 88 0 - 5.2-7.4 QG1 VAL 5 - HG13 ILE 8 far 0 95 0 - 6.4-8.9 QD2 LEU 14 - HG13 ILE 8 far 0 100 0 - 6.5-8.6 QD1 LEU 42 - HG13 ILE 8 far 0 91 0 - 6.7-8.4 QD1 LEU 64 - HG13 ILE 8 far 0 73 0 - 7.1-9.2 QG2 VAL 78 - HG13 ILE 8 far 0 98 0 - 7.3-10.3 QG1 VAL 78 - HG13 ILE 8 far 0 65 0 - 7.6-10.8 QD1 LEU 14 - HG13 ILE 8 far 0 73 0 - 8.6-10.5 HG3 ARG 81 - HG13 ILE 8 far 0 77 0 - 9.7-14.2 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 4.9-5.3 6105/1.8=100...(11) H LYS 66 - HG13 ILE 8 far 0 99 0 - 8.0-9.6 H TYR 41 - HG13 ILE 8 far 0 98 0 - 9.0-10.2 HE ARG 30 - HG13 ILE 8 far 0 90 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 321 from cnoeabs.peaks (8.80, 0.71, 13.69 ppm; 4.45 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.9-4.2 6096/2.1=89, 6094/3.2=77...(15) H SER 59 + QD1 ILE 8 OK 69 100 70 99 4.5-5.6 9396/3.0=63, 9400/3.2=62...(11) H ARG 81 + QD1 ILE 56 OK 31 55 65 87 4.5-6.0 4.2/10682=40...(9) H ARG 81 - QD1 ILE 8 far 0 59 0 - 5.5-7.2 H ILE 8 - QD1 ILE 56 far 0 98 0 - 5.6-7.9 H SER 59 - QD1 ILE 56 far 0 98 0 - 8.6-9.5 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 4 assignments used, quality = 1.00: * HA ILE 8 + QD1 ILE 8 OK 100 100 100 100 3.5-3.9 4.1=100 HB THR 34 - QD1 ILE 8 far 0 96 0 - 6.2-8.6 HA ILE 8 - QD1 ILE 56 far 0 98 0 - 6.6-8.9 HA THR 84 - QD1 ILE 8 far 0 73 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 323 from cnoeabs.peaks (1.90, 0.71, 13.69 ppm; 3.47 A): 3 out of 19 assignments used, quality = 1.00: * HB ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.0-2.5 3.2=100 HG LEU 42 + QD1 ILE 56 OK 33 98 80 42 3.7-5.3 1932=18, 10678/2.1=8...(9) HB VAL 54 + QD1 ILE 56 OK 33 95 60 57 3.2-4.7 10678/2.1=27, ~10209=14...(7) HB3 LYS 66 - QD1 ILE 8 far 3 70 5 - 3.9-6.3 HB3 LYS 68 - QD1 ILE 56 far 0 82 0 - 4.4-7.5 HB ILE 8 - QD1 ILE 56 far 0 98 0 - 5.7-7.4 HB2 LYS 33 - QD1 ILE 8 far 0 90 0 - 5.9-8.8 HG LEU 42 - QD1 ILE 8 far 0 100 0 - 6.1-7.5 HB3 LYS 33 - QD1 ILE 8 far 0 92 0 - 6.1-8.7 HB VAL 5 - QD1 ILE 56 far 0 65 0 - 6.2-9.2 HB3 LYS 66 - QD1 ILE 56 far 0 65 0 - 6.3-8.6 HB3 LYS 68 - QD1 ILE 8 far 0 87 0 - 6.7-8.9 HB3 LYS 39 - QD1 ILE 56 far 0 67 0 - 6.8-9.4 HB VAL 54 - QD1 ILE 8 far 0 99 0 - 7.4-9.3 HB VAL 5 - QD1 ILE 8 far 0 70 0 - 8.1-10.3 HB3 LYS 39 - QD1 ILE 8 far 0 71 0 - 8.2-9.8 HB3 LEU 14 - QD1 ILE 8 far 0 100 0 - 9.0-10.1 HB3 GLU 104 - QD1 ILE 56 far 0 80 0 - 9.8-20.0 HB3 ARG 19 - QD1 ILE 8 far 0 70 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 324 from cnoeabs.peaks (0.79, 0.71, 13.69 ppm; 2.52 A): 3 out of 35 assignments used, quality = 0.96: * QG2 ILE 8 + QD1 ILE 8 OK 86 100 100 86 1.9-3.0 3.0=63, 302/2.1=18...(17) QD1 LEU 6 + QD1 ILE 56 OK 47 91 80 65 1.9-4.7 230=19, ~10676=9...(16) QD2 LEU 38 + QD1 ILE 8 OK 38 65 100 58 1.8-3.3 10696=12, 2.1/12201=10...(13) QD2 LEU 42 - QD1 ILE 56 lone 13 87 85 17 2.6-3.9 2.1/323=7, 1948=6, ~10678=3 QD2 LEU 38 - QD1 ILE 56 poor 11 61 60 29 1.9-5.1 3.1/12202=5, 2.1/12201=5...(8) QG1 VAL 54 - QD1 ILE 56 poor 9 80 30 36 2.3-4.1 10209/2.1=11, ~10678=9...(8) QD1 LEU 6 - QD1 ILE 8 far 0 96 0 - 3.7-4.8 QD1 LEU 70 - QD1 ILE 56 far 0 74 0 - 4.0-6.9 QD1 LEU 70 - QD1 ILE 8 far 0 79 0 - 4.0-7.5 QD2 LEU 57 - QD1 ILE 56 far 0 96 0 - 4.3-5.7 QG2 ILE 7 - QD1 ILE 8 far 0 98 0 - 4.5-5.7 QD2 LEU 57 - QD1 ILE 8 far 0 99 0 - 4.8-6.7 QG1 VAL 54 - QD1 ILE 8 far 0 85 0 - 5.5-6.8 QD1 ILE 76 - QD1 ILE 56 far 0 93 0 - 5.6-6.4 QD2 LEU 42 - QD1 ILE 8 far 0 92 0 - 5.6-7.2 QD2 LEU 70 - QD1 ILE 56 far 0 86 0 - 5.7-7.4 QG2 ILE 8 - QD1 ILE 56 far 0 98 0 - 5.9-7.1 QG2 ILE 7 - QD1 ILE 56 far 0 94 0 - 6.0-8.5 QD2 LEU 70 - QD1 ILE 8 far 0 91 0 - 6.1-7.5 QD1 ILE 15 - QD1 ILE 8 far 0 82 0 - 6.5-7.4 QG2 ILE 52 - QD1 ILE 56 far 0 96 0 - 6.7-9.1 QG2 ILE 15 - QD1 ILE 8 far 0 88 0 - 7.0-8.7 HG13 ILE 15 - QD1 ILE 8 far 0 73 0 - 7.2-8.5 QD1 ILE 93 - QD1 ILE 56 far 0 90 0 - 7.3-9.5 QD1 ILE 93 - QD1 ILE 8 far 0 95 0 - 7.9-9.7 QD2 LEU 103 - QD1 ILE 56 far 0 53 0 - 7.9-15.5 QG2 ILE 93 - QD1 ILE 56 far 0 61 0 - 8.1-10.3 QG2 ILE 15 - QD1 ILE 56 far 0 83 0 - 8.2-11.3 QD1 ILE 76 - QD1 ILE 8 far 0 97 0 - 8.5-10.2 QD1 LEU 27 - QD1 ILE 56 far 0 89 0 - 8.5-10.6 QD1 ILE 15 - QD1 ILE 56 far 0 77 0 - 8.9-11.3 QD2 LEU 2 - QD1 ILE 56 far 0 84 0 - 9.2-11.2 HG13 ILE 15 - QD1 ILE 56 far 0 68 0 - 9.4-12.5 QG2 ILE 93 - QD1 ILE 8 far 0 65 0 - 9.4-11.6 QG2 ILE 52 - QD1 ILE 8 far 0 99 0 - 10.0-12.3 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 20 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 56 OK 68 79 95 91 1.8-4.0 10677/2.1=41...(15) QB ALA 67 + QD1 ILE 8 OK 46 84 100 54 2.2-3.1 9527=15, 9528/8313=15...(15) HB2 LEU 70 - QD1 ILE 56 far 0 97 0 - 4.1-6.6 HG3 LYS 68 - QD1 ILE 56 far 0 93 0 - 4.2-9.0 HG12 ILE 8 - QD1 ILE 56 far 0 98 0 - 4.6-6.9 HB3 ARG 30 - QD1 ILE 56 far 0 96 0 - 5.6-10.2 HB2 LEU 70 - QD1 ILE 8 far 0 100 0 - 6.0-7.6 HG2 LYS 39 - QD1 ILE 56 far 0 89 0 - 6.4-8.6 HB2 LYS 82 - QD1 ILE 8 far 0 92 0 - 6.5-7.5 HG3 LYS 68 - QD1 ILE 8 far 0 97 0 - 6.6-9.3 HG2 LYS 39 - QD1 ILE 8 far 0 94 0 - 6.9-9.9 HB3 ARG 30 - QD1 ILE 8 far 0 99 0 - 7.1-8.7 QB ALA 89 - QD1 ILE 8 far 0 87 0 - 7.1-9.0 HB2 LYS 82 - QD1 ILE 56 far 0 87 0 - 7.6-9.4 QB ALA 89 - QD1 ILE 56 far 0 82 0 - 7.9-9.8 HG3 LYS 40 - QD1 ILE 56 far 0 97 0 - 8.4-11.9 HG3 LYS 40 - QD1 ILE 8 far 0 100 0 - 8.9-11.6 HG LEU 14 - QD1 ILE 8 far 0 98 0 - 9.1-11.1 HB3 LEU 27 - QD1 ILE 56 far 0 88 0 - 9.7-12.4 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 14 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 95 2.0-3.4 2.1/12200=42...(24) QD1 LEU 38 + QD1 ILE 56 OK 21 77 80 34 1.8-4.7 3.1/12202=7, 2.1/12201=7...(8) QD1 LEU 38 - QD1 ILE 8 poor 15 82 30 61 1.8-4.6 2.1/12201=14...(12) QG1 VAL 32 - QD1 ILE 56 far 0 87 0 - 4.5-6.6 HG13 ILE 8 - QD1 ILE 56 far 0 98 0 - 4.8-6.9 HG13 ILE 7 - QD1 ILE 8 far 0 100 0 - 5.0-6.6 QG2 ILE 76 - QD1 ILE 56 far 0 97 0 - 5.3-6.5 QD2 LEU 64 - QD1 ILE 56 far 0 80 0 - 6.5-8.8 QD2 LEU 64 - QD1 ILE 8 far 0 85 0 - 6.5-7.5 HG13 ILE 7 - QD1 ILE 56 far 0 97 0 - 7.1-9.5 QD1 LEU 103 - QD1 ILE 56 far 0 83 0 - 7.5-16.7 QG2 ILE 76 - QD1 ILE 8 far 0 100 0 - 9.0-10.8 QD1 LEU 2 - QD1 ILE 56 far 0 97 0 - 9.8-12.4 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 10 assignments used, quality = 1.00: * H SER 9 + QD1 ILE 8 OK 100 100 100 100 5.2-5.5 6105/2.1=96, 6102/4.1=96...(10) H LYS 66 + QD1 ILE 8 OK 53 99 80 67 5.4-7.0 7061/9460=26...(5) H LYS 66 - QD1 ILE 56 far 5 96 5 - 6.5-9.3 H TYR 41 - QD1 ILE 56 far 5 94 5 - 6.1-8.5 H LYS 73 - QD1 ILE 56 far 0 72 0 - 6.6-9.2 H TYR 41 - QD1 ILE 8 far 0 98 0 - 7.6-8.2 H SER 9 - QD1 ILE 56 far 0 98 0 - 8.3-10.6 HE ARG 30 - QD1 ILE 8 far 0 90 0 - 8.7-12.1 HE ARG 30 - QD1 ILE 56 far 0 84 0 - 8.9-12.4 H GLU 28 - QD1 ILE 56 far 0 94 0 - 9.4-12.5 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 - 8.0-8.6 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 10 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 45 - HA ILE 76 far 0 70 0 - 5.4-8.0 HB2 PHE 45 - HA ILE 76 far 0 86 0 - 5.7-7.0 HB3 ASP 11 - HA SER 9 far 0 100 0 - 5.8-7.4 HE3 LYS 33 - HA SER 9 far 0 79 0 - 6.4-10.3 HE2 LYS 33 - HA SER 9 far 0 79 0 - 6.5-10.8 HE2 LYS 12 - HA SER 9 far 0 96 0 - 8.8-12.5 HE3 LYS 12 - HA SER 9 far 0 84 0 - 9.1-12.5 HE2 LYS 47 - HA ILE 76 far 0 79 0 - 9.6-14.4 HE3 LYS 47 - HA ILE 76 far 0 79 0 - 9.7-14.4 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 2.5-3.0 3.0=100 HA GLU 63 - HA SER 9 far 0 98 0 - 8.1-9.3 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 2 assignments used, quality = 1.00: * H ASN 10 + HA SER 9 OK 100 100 100 100 2.3-2.6 6114=100, 6116/3.0=37...(9) H ASP 11 + HA SER 9 OK 68 73 100 92 3.7-4.2 10387=44, 4.6/6114=34...(10) 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 3.0-3.6 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 2.4-3.0 3.0=100 HA VAL 32 - HB2 SER 9 far 0 94 0 - 9.1-10.0 HB THR 84 - HB2 SER 9 far 0 99 0 - 9.4-12.7 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 3 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 - 8.6-10.0 HA GLU 63 - HB2 SER 9 far 0 98 0 - 9.7-11.8 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 2.7-4.1 4.6=100 H ASP 11 + HB2 SER 9 OK 73 73 100 99 2.4-4.2 10388/1.8=57...(19) H ALA 18 - HB2 SER 9 far 0 97 0 - 7.7-8.9 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 2.9-3.4 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 2.5-3.0 3.0=100 HB THR 84 - HB2 SER 85 poor 13 68 30 63 4.3-6.6 3769/4.0=40, 4.0/9833=25...(4) HA VAL 32 - HB3 SER 9 far 0 94 0 - 9.1-9.8 HB THR 84 - HB3 SER 9 far 0 99 0 - 9.4-11.6 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 9 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 far 0 100 0 - 4.1-6.7 HE3 LYS 33 - HB3 SER 9 far 0 79 0 - 6.8-11.3 HE2 LYS 12 - HB3 SER 9 far 0 96 0 - 7.5-12.0 HE2 LYS 33 - HB3 SER 9 far 0 79 0 - 7.6-11.8 HE3 LYS 12 - HB3 SER 9 far 0 84 0 - 8.9-12.5 HB3 ASP 11 - HB2 SER 85 far 0 72 0 - 9.4-10.8 HE2 LYS 13 - HB3 SER 9 far 0 75 0 - 9.7-13.8 HE3 LYS 13 - HB3 SER 9 far 0 71 0 - 9.7-13.3 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 3 assignments used, quality = 1.00: * H ASN 10 + HB3 SER 9 OK 100 100 100 100 2.7-4.1 6116=100, 6114/3.0=86...(10) H ASP 11 + HB3 SER 9 OK 73 73 100 99 2.3-4.3 10388=65, 8372/2.8=52...(16) H ALA 18 - HB3 SER 9 far 0 97 0 - 7.9-9.1 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 3.2-3.4 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 2.8-3.0 3.0=100 HE3 LYS 12 - HA ASN 10 far 0 63 0 - 4.8-9.5 HB2 ASN 60 - HA ASN 10 far 0 65 0 - 9.6-11.7 HE3 LYS 13 - HA ASN 10 far 0 77 0 - 9.7-13.5 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 2.4-2.9 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 3.2-3.4 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 2.3-3.0 6118=100, 6119/1.8=83...(8) H ASP 11 + HB2 ASN 10 OK 72 73 100 98 3.6-3.8 6138=65, 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 2.8-3.0 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 2.2-3.6 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 3.6-3.8 6138=100, 6139/1.8=74...(11) H ASN 10 + HB2 ASN 10 OK 73 73 100 100 2.3-3.0 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 2.4-3.8 6119=100, 6118/1.8=75...(8) H ASP 11 + HB3 ASN 10 OK 71 73 100 97 3.6-4.4 4.6=56, 6138/1.8=52...(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 2.4-2.9 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 4 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 - 5.7-12.0 HB2 ASN 60 - HB3 ASN 10 far 0 65 0 - 7.9-11.3 HE3 LYS 13 - HB3 ASN 10 far 0 77 0 - 9.6-14.0 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 2.3-3.0 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 3.6-4.4 6138/1.8=88, 6139=82...(10) H ASN 10 + HB3 ASN 10 OK 73 73 100 100 2.4-3.8 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 59 73 95 84 4.5-4.9 10385=32, 4.0/8353=31...(11) H ALA 18 - HA ASP 11 far 0 94 0 - 9.9-10.5 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 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 368 from cnoeabs.peaks (2.99, 4.60, 53.23 ppm; 4.42 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASP 11 + HA ASP 11 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 SER 9 - HA ASP 11 far 15 100 15 - 5.2-6.9 HE2 LYS 12 - HA ASP 11 far 5 98 5 - 5.2-7.7 HE3 LYS 12 - HA ASP 11 far 0 79 0 - 5.5-8.4 HE2 LYS 13 - HA ASP 11 far 0 70 0 - 5.6-9.9 HE3 LYS 13 - HA ASP 11 far 0 65 0 - 5.6-9.3 HE2 LYS 33 - HA ASP 11 far 0 84 0 - 7.9-13.2 HE3 LYS 33 - HA ASP 11 far 0 84 0 - 8.4-12.0 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 2.2-2.2 6148=96, 6145/3.0=35...(9) 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 100 100 100 100 2.3-3.3 6143=100, 6144/1.8=52...(12) H ASN 10 + HB2 ASP 11 OK 59 73 90 89 3.6-4.8 4.6/6143=40, 4.0/8360=31...(11) H ALA 18 - HB2 ASP 11 far 0 94 0 - 9.6-10.6 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 - 8.1-10.8 HA ILE 8 - HB2 ASP 11 far 0 96 0 - 9.0-10.3 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): 1 out of 8 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 far 0 100 0 - 4.2-6.7 HE3 LYS 13 - HB2 ASP 11 far 0 65 0 - 5.7-9.7 HE2 LYS 13 - HB2 ASP 11 far 0 70 0 - 6.4-10.0 HE3 LYS 12 - HB2 ASP 11 far 0 79 0 - 7.8-10.6 HE2 LYS 12 - HB2 ASP 11 far 0 98 0 - 7.9-10.1 HE2 LYS 33 - HB2 ASP 11 far 0 84 0 - 9.0-14.2 HE3 LYS 33 - HB2 ASP 11 far 0 84 0 - 9.4-13.3 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 1 assignment used, quality = 1.00: * H LYS 12 + HB2 ASP 11 OK 100 100 100 100 4.2-4.7 4.5=100 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 2.4-3.7 4.0=100 H ASN 10 + HB3 ASP 11 OK 27 73 45 82 3.8-5.6 370/1.8=30, 10385/3.0=30...(11) H ALA 18 - HB3 ASP 11 far 0 94 0 - 8.0-9.4 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 2.5-3.0 3.0=100 HA THR 84 - HB3 ASP 11 far 0 95 0 - 8.5-10.6 HA ILE 8 - HB3 ASP 11 far 0 96 0 - 9.0-10.4 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 - 6.7-9.3 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 3.8-4.5 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 2.4-2.8 3.0=87, 3.0/384=38...(21) HB3 LYS 12 + HA LYS 12 OK 99 100 100 99 2.9-3.0 3.0=87, 3.0/384=38...(20) HB3 LEU 14 - HA LYS 12 far 0 61 0 - 5.1-6.0 HB3 LYS 90 - HA LYS 94 far 0 46 0 - 6.0-8.6 HB2 ARG 19 - HA LYS 12 far 0 81 0 - 7.2-10.0 HB VAL 5 - HA LYS 94 far 0 69 0 - 8.8-10.2 HB2 LYS 20 - HA LYS 94 far 0 52 0 - 9.0-10.9 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 2.4-2.8 3.0=87, 3.0/384=38...(21) * HB3 LYS 12 + HA LYS 12 OK 99 100 100 99 2.9-3.0 3.0=87, 3.0/384=38...(20) HB3 LEU 14 - HA LYS 12 far 0 65 0 - 5.1-6.0 HB3 LYS 90 - HA LYS 94 far 0 43 0 - 6.0-8.6 HB2 ARG 19 - HA LYS 12 far 0 84 0 - 7.2-10.0 HB VAL 5 - HA LYS 94 far 0 69 0 - 8.8-10.2 HB2 LYS 20 - HA LYS 94 far 0 55 0 - 9.0-10.9 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 2.2-3.2 3.7=71, 1.8/385=50...(37) HG2 LYS 13 - HA LYS 12 far 0 96 0 - 5.7-7.7 QB ALA 22 - HA LYS 94 far 0 66 0 - 5.8-7.1 HB2 LEU 27 - HA LYS 94 far 0 65 0 - 6.7-7.8 HG3 ARG 91 - HA LYS 94 far 0 68 0 - 7.1-9.3 HG12 ILE 7 - HA LYS 12 far 0 91 0 - 8.7-9.6 HG2 LYS 20 - HA LYS 94 far 0 65 0 - 9.5-12.7 HG2 LYS 20 - HA LYS 12 far 0 98 0 - 9.7-11.9 HG LEU 29 - HA LYS 12 far 0 99 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 385 from cnoeabs.peaks (1.59, 3.85, 59.58 ppm; 3.53 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 12 + HA LYS 12 OK 100 100 100 100 2.1-3.8 3.7=87, 1.8/384=78...(37) HD3 LYS 94 + HA LYS 94 OK 27 69 40 100 4.1-5.5 4.7=41, 7518/3.0=28...(43) HD2 LYS 94 - HA LYS 94 far 0 46 0 - 4.5-5.5 HG LEU 27 - HA LYS 94 far 0 69 0 - 5.7-7.1 HG2 LYS 24 - HA LYS 94 far 0 67 0 - 6.0-9.0 HG2 ARG 19 - HA LYS 12 far 0 99 0 - 6.5-10.1 HG3 LYS 90 - HA LYS 94 far 0 66 0 - 7.5-10.5 HB3 LEU 29 - HA LYS 94 far 0 69 0 - 9.9-11.5 Violated in 4 structures by 0.02 A. Peak 386 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.91 A): 3 out of 18 assignments used, quality = 0.90: HB ILE 15 + HA LYS 12 OK 73 79 100 92 2.1-2.6 644=37, 3.2/8446=34...(12) HD3 LYS 12 + HA LYS 12 OK 44 100 45 98 2.4-4.7 3.0/384=40, 3.0/385=29...(44) * HD2 LYS 12 + HA LYS 12 OK 34 100 35 97 2.3-4.8 3.0/384=40, 3.0/385=29...(43) HG12 ILE 15 - HA LYS 12 far 15 100 15 - 3.6-4.9 HD2 LYS 13 - HA LYS 12 far 0 100 0 - 5.0-8.1 HD3 LYS 13 - HA LYS 12 far 0 100 0 - 5.2-8.3 HD2 LYS 90 - HA LYS 94 far 0 34 0 - 6.8-10.4 HB3 ARG 91 - HA LYS 94 far 0 60 0 - 7.2-8.5 HD3 LYS 90 - HA LYS 94 far 0 69 0 - 7.6-11.2 HD3 LYS 24 - HA LYS 94 far 0 69 0 - 7.6-10.3 HD2 LYS 24 - HA LYS 94 far 0 69 0 - 8.2-9.9 HD2 LYS 33 - HA LYS 12 far 0 87 0 - 8.5-11.2 HD3 LYS 33 - HA LYS 12 far 0 87 0 - 8.6-11.3 HD2 LYS 20 - HA LYS 12 far 0 88 0 - 8.7-11.9 HD3 LYS 20 - HA LYS 12 far 0 84 0 - 8.8-11.7 HG3 LYS 20 - HA LYS 94 far 0 51 0 - 9.1-12.9 HG3 LYS 20 - HA LYS 12 far 0 84 0 - 9.3-12.9 HG2 PRO 86 - HA LYS 12 far 0 99 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 387 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.91 A): 3 out of 18 assignments used, quality = 0.90: HB ILE 15 + HA LYS 12 OK 73 79 100 92 2.1-2.6 644=37, 3.2/8446=34...(12) * HD3 LYS 12 + HA LYS 12 OK 44 100 45 98 2.4-4.7 3.0/384=40, 3.0/385=29...(44) HD2 LYS 12 + HA LYS 12 OK 34 100 35 97 2.3-4.8 3.0/384=40, 3.0/385=29...(43) HG12 ILE 15 - HA LYS 12 far 15 100 15 - 3.6-4.9 HD2 LYS 13 - HA LYS 12 far 0 100 0 - 5.0-8.1 HD3 LYS 13 - HA LYS 12 far 0 100 0 - 5.2-8.3 HD2 LYS 90 - HA LYS 94 far 0 34 0 - 6.8-10.4 HB3 ARG 91 - HA LYS 94 far 0 60 0 - 7.2-8.5 HD3 LYS 90 - HA LYS 94 far 0 69 0 - 7.6-11.2 HD3 LYS 24 - HA LYS 94 far 0 69 0 - 7.6-10.3 HD2 LYS 24 - HA LYS 94 far 0 69 0 - 8.2-9.9 HD2 LYS 33 - HA LYS 12 far 0 87 0 - 8.5-11.2 HD3 LYS 33 - HA LYS 12 far 0 87 0 - 8.6-11.3 HD2 LYS 20 - HA LYS 12 far 0 88 0 - 8.7-11.9 HD3 LYS 20 - HA LYS 12 far 0 84 0 - 8.8-11.7 HG3 LYS 20 - HA LYS 94 far 0 51 0 - 9.1-12.9 HG3 LYS 20 - HA LYS 12 far 0 84 0 - 9.3-12.9 HG2 PRO 86 - HA LYS 12 far 0 99 0 - 9.5-11.2 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 2.8-4.9 6.3=100 HB3 ASP 11 + HA LYS 12 OK 98 98 100 100 5.1-5.5 ~369=82, ~6148=82...(12) HB2 SER 9 + HA LYS 12 OK 88 96 100 92 5.4-7.4 8444/8450=47...(8) HE2 LYS 33 - HA LYS 12 poor 20 98 20 - 6.4-12.1 HE3 LYS 33 - HA LYS 12 lone 5 98 35 15 6.2-11.3 10392/8446=13 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 4.1-5.7 1.8/460=87, 4.0/384=84...(36) HB3 ASP 11 + HA LYS 12 OK 77 79 100 98 5.1-5.5 ~369=56, ~6148=55...(12) HB2 SER 9 + HA LYS 12 OK 44 84 70 75 5.4-7.4 8461/6206=28...(7) HG2 MET 21 + HA LYS 94 OK 40 52 80 96 4.6-6.7 8534/3.0=61, 3.4/8541=45...(12) HE3 LYS 13 - HA LYS 12 far 0 100 0 - 6.6-9.3 HE2 LYS 13 - HA LYS 12 far 0 100 0 - 6.8-9.7 HE2 LYS 24 - HA LYS 94 far 0 69 0 - 7.1-11.2 HB2 ASN 10 - HA LYS 12 far 0 63 0 - 7.4-8.0 HE3 LYS 90 - HA LYS 12 far 0 79 0 - 8.8-15.6 HE3 LYS 24 - HA LYS 94 far 0 69 0 - 8.9-11.4 HE3 LYS 90 - HA LYS 94 far 0 47 0 - 9.6-11.3 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 4 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...(12) H ILE 15 + HA LYS 12 OK 98 100 100 98 3.1-3.4 6206=78, 6217/644=54...(11) H GLU 17 - HA LYS 12 far 0 98 0 - 5.9-6.9 H LYS 90 - HA LYS 94 far 0 47 0 - 8.0-9.8 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 4 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...(12) * H ILE 15 + HA LYS 12 OK 98 100 100 98 3.1-3.4 6206=78, 6217/644=54...(11) H GLU 17 - HA LYS 12 far 0 99 0 - 5.9-6.9 H LYS 90 - HA LYS 94 far 0 49 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 392 from cnoeabs.peaks (1.73, 3.85, 59.58 ppm; 3.10 A): 3 out of 14 assignments used, quality = 0.99: * HB ILE 15 + HA LYS 12 OK 97 100 100 97 2.1-2.6 644=63, 2.1/10121=39...(13) HD3 LYS 12 + HA LYS 12 OK 39 79 50 99 2.4-4.7 3.0/384=45, 3.0/385=33...(43) HD2 LYS 12 + HA LYS 12 OK 35 79 45 99 2.3-4.8 3.0/384=45, 3.0/385=33...(43) HG12 ILE 15 - HA LYS 12 far 10 65 15 - 3.6-4.9 HD2 LYS 13 - HA LYS 12 far 0 79 0 - 5.0-8.1 HD3 LYS 13 - HA LYS 12 far 0 82 0 - 5.2-8.3 HG3 ARG 19 - HA LYS 12 far 0 75 0 - 6.1-8.8 HD2 LYS 90 - HA LYS 94 far 0 66 0 - 6.8-10.4 HD3 LYS 90 - HA LYS 94 far 0 42 0 - 7.6-11.2 HD3 LYS 24 - HA LYS 94 far 0 42 0 - 7.6-10.3 HD2 LYS 24 - HA LYS 94 far 0 41 0 - 8.2-9.9 HD2 LYS 33 - HA LYS 12 far 0 100 0 - 8.5-11.2 HD3 LYS 33 - HA LYS 12 far 0 100 0 - 8.6-11.3 HG2 PRO 86 - HA LYS 12 far 0 63 0 - 9.5-11.2 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 4 assignments used, quality = 1.00: H LYS 12 + HB3 LYS 12 OK 99 100 100 99 2.1-2.7 4.0=58, 6155/3.0=45...(18) * H LYS 12 + HB2 LYS 12 OK 99 100 100 99 3.4-3.6 4.0=58, 6155/3.0=45...(15) H VAL 58 - HB3 LYS 68 far 0 78 0 - 7.9-11.3 H VAL 58 - HB2 LYS 68 far 0 48 0 - 8.8-11.3 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 16 assignments used, quality = 1.00: * HA LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.4-2.8 3.0=100 HA LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 40 + HB3 LYS 39 OK 36 89 50 81 3.9-5.6 2.9/6621=46, ~6620=25...(7) HA GLU 35 - HB3 LYS 39 far 0 62 0 - 5.3-7.8 HA ALA 67 - HB3 LYS 68 far 0 90 0 - 5.5-6.6 HA ALA 67 - HB2 LYS 68 far 0 57 0 - 5.8-6.6 HA GLU 43 - HB3 LYS 39 far 0 68 0 - 6.0-8.4 HA LEU 38 - HB3 LYS 39 far 0 81 0 - 6.0-6.6 HA ALA 71 - HB3 LYS 39 far 0 89 0 - 6.9-9.1 HA ALA 67 - HB3 LYS 39 far 0 92 0 - 7.1-9.4 HA ALA 71 - HB2 LYS 68 far 0 55 0 - 7.5-8.5 HA ALA 22 - HB2 LYS 20 far 0 44 0 - 7.6-8.2 HA ALA 71 - HB3 LYS 68 far 0 87 0 - 7.7-8.7 HA LYS 94 - HB2 LYS 20 far 0 60 0 - 9.0-10.9 HA ARG 91 - HB2 LYS 20 far 0 38 0 - 9.4-12.8 HA GLU 35 - HB3 LYS 68 far 0 60 0 - 9.7-12.4 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 25 assignments used, quality = 1.00: * HG2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 12 + HB3 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 2.5-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 59 59 100 100 2.3-3.0 3.0=100 HG LEU 64 + HB3 LYS 68 OK 22 55 55 74 3.0-5.8 ~12320=18, 2.1/10567=12...(18) HG LEU 38 - HB3 LYS 39 far 4 86 5 - 3.4-7.8 HG LEU 64 - HB2 LYS 68 far 0 32 0 - 4.1-5.8 HG2 LYS 13 - HB3 LYS 12 far 0 96 0 - 4.1-6.5 QB ALA 71 - HB2 LYS 68 far 0 32 0 - 4.5-5.5 QB ALA 71 - HB3 LYS 68 far 0 55 0 - 4.8-5.8 HG2 LYS 13 - HB2 LYS 12 far 0 96 0 - 4.9-7.7 HB2 LEU 38 - HB3 LYS 39 far 0 89 0 - 5.1-7.3 QB ALA 22 - HB2 LYS 20 far 0 61 0 - 6.2-6.9 HD3 LYS 40 - HB3 LYS 39 far 0 80 0 - 6.3-8.7 HD2 LYS 40 - HB3 LYS 39 far 0 81 0 - 6.6-9.3 QB ALA 71 - HB3 LYS 39 far 0 56 0 - 7.2-9.3 HG LEU 38 - HB3 LYS 68 far 0 84 0 - 7.5-12.4 HG13 ILE 76 - HB3 LYS 39 far 0 89 0 - 8.3-11.4 HG LEU 38 - HB2 LYS 68 far 0 53 0 - 8.5-13.1 HB2 LEU 38 - HB3 LYS 68 far 0 87 0 - 9.0-12.0 HG2 LYS 20 - HB2 LYS 12 far 0 98 0 - 9.3-11.3 HG LEU 29 - HB2 LYS 20 far 0 61 0 - 9.5-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 59 0 - 9.6-11.0 HD2 LYS 82 - HB3 LYS 68 far 0 84 0 - 9.8-12.9 HB2 LEU 38 - HB2 LYS 68 far 0 55 0 - 9.8-12.5 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 20 assignments used, quality = 1.00: * HG3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 ARG 19 - HB2 LYS 20 far 0 61 0 - 4.0-8.3 HG2 LYS 24 - HB2 LYS 20 far 0 62 0 - 4.1-7.2 HG3 LYS 90 - HB2 LYS 20 far 0 61 0 - 5.1-9.2 HG2 ARG 19 - HB2 LYS 12 far 0 99 0 - 6.9-10.1 HG3 LYS 73 - HB3 LYS 39 far 0 91 0 - 7.0-11.3 HB2 ARG 79 - HB2 LYS 68 far 0 57 0 - 7.4-11.1 HB2 ARG 79 - HB3 LYS 68 far 0 89 0 - 7.5-11.3 HG3 LYS 73 - HB3 LYS 68 far 0 89 0 - 7.8-10.8 HG3 LYS 73 - HB2 LYS 68 far 0 57 0 - 7.9-10.0 HD2 LYS 66 - HB3 LYS 68 far 0 88 0 - 8.0-11.1 HD3 LYS 82 - HB3 LYS 68 far 0 67 0 - 8.3-12.4 HB3 LEU 29 - HB2 LYS 20 far 0 63 0 - 8.5-9.7 HG2 ARG 19 - HB3 LYS 12 far 0 99 0 - 8.6-11.7 HD3 LYS 82 - HB2 LYS 68 far 0 40 0 - 9.1-12.7 HD2 LYS 66 - HB2 LYS 68 far 0 56 0 - 9.1-10.9 HD2 LYS 94 - HB2 LYS 20 far 0 42 0 - 9.1-13.0 HD3 LYS 94 - HB2 LYS 20 far 0 63 0 - 9.3-12.5 HD2 LYS 66 - HB3 LYS 39 far 0 90 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 399 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 3.03 A): 7 out of 48 assignments used, quality = 1.00: HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=61, 3.0/473=15...(87) HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.5-3.9 3.6=61, 3.0/473=14...(87) * HD2 LYS 12 + HB2 LYS 12 OK 95 100 95 100 2.1-4.0 3.6=61, 3.0/473=15...(87) HD3 LYS 12 + HB3 LYS 12 OK 85 100 85 100 2.1-4.2 3.6=61, 387/3.0=14...(87) HG3 LYS 20 + HB2 LYS 20 OK 46 46 100 100 2.2-3.0 3.0=100 HD2 LYS 20 + HB2 LYS 20 OK 39 50 80 98 2.4-4.1 3.5=63, ~848=12...(76) HD3 LYS 20 + HB2 LYS 20 OK 32 46 70 98 2.3-4.2 3.5=63, ~848=12...(76) HD3 LYS 13 - HB2 LYS 12 far 15 100 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 10 100 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 10 100 10 - 3.7-7.8 HD3 LYS 13 - HB3 LYS 12 lone 5 100 25 19 3.4-7.1 6179/4.2=12, 437/4.0=3...(4) HD3 LYS 24 - HB2 LYS 20 far 3 63 5 - 2.9-7.7 HD2 LYS 24 - HB2 LYS 20 far 3 63 5 - 3.7-7.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.5 HG LEU 70 - HB3 LYS 39 far 0 92 0 - 4.2-7.9 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.6-6.5 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.4 HB3 LEU 70 - HB3 LYS 39 far 0 85 0 - 5.0-7.5 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 90 0 - 6.4-9.7 HD2 ARG 81 - HB3 LYS 68 far 0 71 0 - 6.5-11.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 90 0 - 6.7-9.3 HB3 LEU 70 - HB2 LYS 68 far 0 52 0 - 6.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 83 0 - 6.8-8.9 HD2 LYS 90 - HB2 LYS 20 far 0 31 0 - 6.8-9.9 HG LEU 70 - HB2 LYS 68 far 0 57 0 - 7.0-9.6 HD2 ARG 81 - HB2 LYS 68 far 0 43 0 - 7.0-11.9 HD3 LYS 90 - HB2 LYS 20 far 0 63 0 - 7.0-10.7 HD3 LYS 66 - HB2 LYS 68 far 0 57 0 - 7.4-9.5 HD2 LYS 73 - HB3 LYS 39 far 0 60 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 34 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 58 0 - 8.7-12.6 HD3 LYS 73 - HB2 LYS 68 far 0 32 0 - 8.9-12.2 HB ILE 15 - HB2 LYS 20 far 0 43 0 - 9.0-12.0 HD3 LYS 66 - HB3 LYS 39 far 0 92 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 55 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.6-14.1 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-12.7 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.9-12.7 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 400 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 3.03 A): 7 out of 48 assignments used, quality = 1.00: * HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=61, 3.0/473=15...(87) HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.5-3.9 3.6=61, 3.0/473=14...(87) HD2 LYS 12 + HB2 LYS 12 OK 95 100 95 100 2.1-4.0 3.6=61, 3.0/473=15...(87) HD3 LYS 12 + HB3 LYS 12 OK 85 100 85 100 2.1-4.2 3.6=61, 387/3.0=14...(87) HG3 LYS 20 + HB2 LYS 20 OK 46 46 100 100 2.2-3.0 3.0=100 HD2 LYS 20 + HB2 LYS 20 OK 39 50 80 98 2.4-4.1 3.5=63, ~848=12...(76) HD3 LYS 20 + HB2 LYS 20 OK 32 46 70 98 2.3-4.2 3.5=63, ~848=12...(76) HD3 LYS 13 - HB2 LYS 12 far 15 100 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 10 100 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 10 100 10 - 3.7-7.8 HD3 LYS 13 - HB3 LYS 12 lone 5 100 25 19 3.4-7.1 6179/4.2=12, 437/4.0=3...(4) HD3 LYS 24 - HB2 LYS 20 far 3 63 5 - 2.9-7.7 HD2 LYS 24 - HB2 LYS 20 far 3 63 5 - 3.7-7.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.5 HG LEU 70 - HB3 LYS 39 far 0 92 0 - 4.2-7.9 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.6-6.5 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.4 HB3 LEU 70 - HB3 LYS 39 far 0 85 0 - 5.0-7.5 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 90 0 - 6.4-9.7 HD2 ARG 81 - HB3 LYS 68 far 0 71 0 - 6.5-11.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 90 0 - 6.7-9.3 HB3 LEU 70 - HB2 LYS 68 far 0 52 0 - 6.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 83 0 - 6.8-8.9 HD2 LYS 90 - HB2 LYS 20 far 0 31 0 - 6.8-9.9 HG LEU 70 - HB2 LYS 68 far 0 57 0 - 7.0-9.6 HD2 ARG 81 - HB2 LYS 68 far 0 43 0 - 7.0-11.9 HD3 LYS 90 - HB2 LYS 20 far 0 63 0 - 7.0-10.7 HD3 LYS 66 - HB2 LYS 68 far 0 57 0 - 7.4-9.5 HD2 LYS 73 - HB3 LYS 39 far 0 60 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 34 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 58 0 - 8.7-12.6 HD3 LYS 73 - HB2 LYS 68 far 0 32 0 - 8.9-12.2 HB ILE 15 - HB2 LYS 20 far 0 43 0 - 9.0-12.0 HD3 LYS 66 - HB3 LYS 39 far 0 92 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 55 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.6-14.1 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-12.7 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.9-12.7 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.9-13.0 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 2.0-4.8 4.8=100 HE2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.4-4.9 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 21 97 25 86 5.4-6.4 3.0/8368=37, 4.5/6153=35...(7) HB3 ASP 11 - HB2 LYS 12 far 0 98 0 - 6.2-7.2 HE3 LYS 33 - HB2 LYS 12 far 0 98 0 - 7.6-12.5 HB2 SER 9 - HB3 LYS 12 far 0 95 0 - 7.7-9.7 HB2 SER 9 - HB2 LYS 12 far 0 96 0 - 7.9-9.9 HE2 LYS 33 - HB2 LYS 12 far 0 98 0 - 8.1-13.4 HE3 LYS 33 - HB3 LYS 12 far 0 97 0 - 8.2-12.8 HE2 LYS 33 - HB3 LYS 12 far 0 97 0 - 8.3-13.9 HB2 PHE 45 - HB3 LYS 39 far 0 75 0 - 9.3-10.8 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 25 assignments used, quality = 1.00: * HE3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-5.5 4.8=100 HE3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.4-5.4 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 27 79 40 85 5.4-6.4 3.0/8368=38, 4.5/6153=36...(7) HE2 LYS 13 - HB2 LYS 12 poor 20 100 20 - 5.4-9.2 HE2 LYS 24 - HB2 LYS 20 poor 19 63 30 - 3.3-9.0 HE3 LYS 13 - HB3 LYS 12 poor 16 100 65 25 4.1-8.1 6181/4.2=17, 6159/4.0=5...(5) HE3 LYS 13 - HB2 LYS 12 poor 11 100 40 27 4.8-9.0 6181/4.2=17, 6159/4.0=5 HE2 LYS 13 - HB3 LYS 12 poor 10 100 45 23 4.2-8.6 7.3/6166=16, 6159/4.0=3...(5) HG2 MET 21 - HB2 LYS 20 poor 10 48 20 - 4.1-7.2 HE2 LYS 73 - HB3 LYS 39 far 4 86 5 - 5.8-12.1 HE3 LYS 24 - HB2 LYS 20 lone 0 63 35 1 2.8-9.2 HB3 ASP 11 - HB2 LYS 12 far 0 79 0 - 6.2-7.2 HE3 LYS 73 - HB3 LYS 39 far 0 81 0 - 6.8-12.3 HE3 LYS 90 - HB2 LYS 20 far 0 43 0 - 7.2-11.1 HB2 SER 9 - HB3 LYS 12 far 0 84 0 - 7.7-9.7 HB2 ASN 10 - HB3 LYS 12 far 0 63 0 - 7.9-9.3 HB2 SER 9 - HB2 LYS 12 far 0 84 0 - 7.9-9.9 HE3 LYS 73 - HB2 LYS 68 far 0 49 0 - 8.6-13.6 HE3 LYS 73 - HB3 LYS 68 far 0 79 0 - 8.9-14.2 HB2 ASN 10 - HB2 LYS 12 far 0 63 0 - 9.0-10.0 HB2 PHE 45 - HB3 LYS 39 far 0 82 0 - 9.3-10.8 HE2 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.5-16.1 HE2 LYS 73 - HB3 LYS 68 far 0 84 0 - 9.5-12.8 HE2 LYS 73 - HB2 LYS 68 far 0 53 0 - 9.8-12.3 HE3 LYS 90 - HB2 LYS 12 far 0 79 0 - 9.9-16.6 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 13 assignments used, quality = 1.00: H LYS 13 + HB3 LYS 12 OK 94 100 100 94 2.8-3.1 6166=52, 6165/1.8=38...(12) * H LYS 13 + HB2 LYS 12 OK 93 100 100 93 3.3-4.0 4.2=49, 6166/1.8=41...(10) H LYS 39 + HB3 LYS 39 OK 90 90 100 100 2.9-3.5 6605=95, 6604/1.8=71...(16) H GLU 17 - HB2 LYS 20 far 0 59 0 - 4.9-8.0 H ILE 15 - HB2 LYS 12 far 0 100 0 - 4.9-5.3 H ILE 15 - HB3 LYS 12 far 0 100 0 - 5.4-5.8 H GLU 17 - HB2 LYS 12 far 0 98 0 - 6.2-7.5 H GLU 17 - HB3 LYS 12 far 0 98 0 - 7.3-8.4 H LYS 90 - HB2 LYS 20 far 0 43 0 - 7.6-10.8 H ILE 15 - HB2 LYS 20 far 0 63 0 - 9.0-12.1 H GLU 75 - HB2 LYS 68 far 0 57 0 - 9.4-11.2 H GLU 75 - HB3 LYS 68 far 0 90 0 - 9.5-11.8 H GLU 75 - HB3 LYS 39 far 0 92 0 - 9.7-11.4 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 4 assignments used, quality = 1.00: * H LYS 12 + HB3 LYS 12 OK 99 100 100 99 2.1-2.7 4.0=58, 6155/3.0=45...(18) H LYS 12 + HB2 LYS 12 OK 99 100 100 99 3.4-3.6 4.0=58, 6155/3.0=45...(15) H VAL 58 - HB3 LYS 68 far 0 79 0 - 7.9-11.3 H VAL 58 - HB2 LYS 68 far 0 44 0 - 8.8-11.3 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 16 assignments used, quality = 1.00: * HA LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.4-2.8 3.0=100 HA LYS 40 + HB3 LYS 39 OK 36 88 50 81 3.9-5.6 2.9/6621=46, ~6620=25...(7) HA GLU 35 - HB3 LYS 39 far 0 61 0 - 5.3-7.8 HA ALA 67 - HB3 LYS 68 far 0 91 0 - 5.5-6.6 HA ALA 67 - HB2 LYS 68 far 0 53 0 - 5.8-6.6 HA GLU 43 - HB3 LYS 39 far 0 68 0 - 6.0-8.4 HA LEU 38 - HB3 LYS 39 far 0 80 0 - 6.0-6.6 HA ALA 71 - HB3 LYS 39 far 0 89 0 - 6.9-9.1 HA ALA 67 - HB3 LYS 39 far 0 91 0 - 7.1-9.4 HA ALA 71 - HB2 LYS 68 far 0 51 0 - 7.5-8.5 HA ALA 22 - HB2 LYS 20 far 0 48 0 - 7.6-8.2 HA ALA 71 - HB3 LYS 68 far 0 89 0 - 7.7-8.7 HA LYS 94 - HB2 LYS 20 far 0 65 0 - 9.0-10.9 HA ARG 91 - HB2 LYS 20 far 0 41 0 - 9.4-12.8 HA GLU 35 - HB3 LYS 68 far 0 61 0 - 9.7-12.4 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 25 assignments used, quality = 1.00: * HG2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.5-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 64 64 100 100 2.3-3.0 3.0=100 HG LEU 64 + HB3 LYS 68 OK 23 56 55 74 3.0-5.8 ~12320=18, 2.1/10567=12...(18) HG LEU 38 - HB3 LYS 39 far 4 85 5 - 3.4-7.8 HG LEU 64 - HB2 LYS 68 far 0 29 0 - 4.1-5.8 HG2 LYS 13 - HB3 LYS 12 far 0 96 0 - 4.1-6.5 QB ALA 71 - HB2 LYS 68 far 0 29 0 - 4.5-5.5 QB ALA 71 - HB3 LYS 68 far 0 56 0 - 4.8-5.8 HG2 LYS 13 - HB2 LYS 12 far 0 96 0 - 4.9-7.7 HB2 LEU 38 - HB3 LYS 39 far 0 88 0 - 5.1-7.3 QB ALA 22 - HB2 LYS 20 far 0 65 0 - 6.2-6.9 HD3 LYS 40 - HB3 LYS 39 far 0 79 0 - 6.3-8.7 HD2 LYS 40 - HB3 LYS 39 far 0 80 0 - 6.6-9.3 QB ALA 71 - HB3 LYS 39 far 0 56 0 - 7.2-9.3 HG LEU 38 - HB3 LYS 68 far 0 85 0 - 7.5-12.4 HG13 ILE 76 - HB3 LYS 39 far 0 89 0 - 8.3-11.4 HG LEU 38 - HB2 LYS 68 far 0 48 0 - 8.5-13.1 HB2 LEU 38 - HB3 LYS 68 far 0 88 0 - 9.0-12.0 HG2 LYS 20 - HB2 LYS 12 far 0 98 0 - 9.3-11.3 HG LEU 29 - HB2 LYS 20 far 0 65 0 - 9.5-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 64 0 - 9.6-11.0 HD2 LYS 82 - HB3 LYS 68 far 0 85 0 - 9.8-12.9 HB2 LEU 38 - HB2 LYS 68 far 0 50 0 - 9.8-12.5 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 20 assignments used, quality = 1.00: * HG3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 ARG 19 - HB2 LYS 20 far 0 66 0 - 4.0-8.3 HG2 LYS 24 - HB2 LYS 20 far 0 66 0 - 4.1-7.2 HG3 LYS 90 - HB2 LYS 20 far 0 65 0 - 5.1-9.2 HG2 ARG 19 - HB2 LYS 12 far 0 99 0 - 6.9-10.1 HG3 LYS 73 - HB3 LYS 39 far 0 91 0 - 7.0-11.3 HB2 ARG 79 - HB2 LYS 68 far 0 52 0 - 7.4-11.1 HB2 ARG 79 - HB3 LYS 68 far 0 90 0 - 7.5-11.3 HG3 LYS 73 - HB3 LYS 68 far 0 91 0 - 7.8-10.8 HG3 LYS 73 - HB2 LYS 68 far 0 52 0 - 7.9-10.0 HD2 LYS 66 - HB3 LYS 68 far 0 90 0 - 8.0-11.1 HD3 LYS 82 - HB3 LYS 68 far 0 68 0 - 8.3-12.4 HB3 LEU 29 - HB2 LYS 20 far 0 68 0 - 8.5-9.7 HG2 ARG 19 - HB3 LYS 12 far 0 99 0 - 8.6-11.7 HD3 LYS 82 - HB2 LYS 68 far 0 36 0 - 9.1-12.7 HD2 LYS 66 - HB2 LYS 68 far 0 51 0 - 9.1-10.9 HD2 LYS 94 - HB2 LYS 20 far 0 45 0 - 9.1-13.0 HD3 LYS 94 - HB2 LYS 20 far 0 68 0 - 9.3-12.5 HD2 LYS 66 - HB3 LYS 39 far 0 90 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 410 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 3.03 A): 7 out of 48 assignments used, quality = 1.00: * HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.5-3.9 3.6=61, 3.0/473=14...(87) HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=61, 3.0/473=15...(87) HD2 LYS 12 + HB2 LYS 12 OK 95 100 95 100 2.1-4.0 3.6=61, 3.0/473=15...(87) HD3 LYS 12 + HB3 LYS 12 OK 85 100 85 100 2.1-4.2 3.6=61, 387/3.0=14...(87) HG3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.2-3.0 3.0=100 HD2 LYS 20 + HB2 LYS 20 OK 42 54 80 98 2.4-4.1 3.5=63, ~848=12...(76) HD3 LYS 20 + HB2 LYS 20 OK 35 50 70 98 2.3-4.2 3.5=63, ~848=12...(76) HD3 LYS 13 - HB2 LYS 12 far 15 100 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 10 100 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 10 100 10 - 3.7-7.8 HD3 LYS 13 - HB3 LYS 12 lone 5 100 25 19 3.4-7.1 6179/4.2=12, 437/4.0=3...(4) HD3 LYS 24 - HB2 LYS 20 far 3 68 5 - 2.9-7.7 HD2 LYS 24 - HB2 LYS 20 far 3 67 5 - 3.7-7.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.5 HG LEU 70 - HB3 LYS 39 far 0 91 0 - 4.2-7.9 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.6-6.5 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.4 HB3 LEU 70 - HB3 LYS 39 far 0 85 0 - 5.0-7.5 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 91 0 - 6.4-9.7 HD2 ARG 81 - HB3 LYS 68 far 0 72 0 - 6.5-11.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 91 0 - 6.7-9.3 HB3 LEU 70 - HB2 LYS 68 far 0 47 0 - 6.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 84 0 - 6.8-8.9 HD2 LYS 90 - HB2 LYS 20 far 0 33 0 - 6.8-9.9 HG LEU 70 - HB2 LYS 68 far 0 53 0 - 7.0-9.6 HD2 ARG 81 - HB2 LYS 68 far 0 39 0 - 7.0-11.9 HD3 LYS 90 - HB2 LYS 20 far 0 68 0 - 7.0-10.7 HD3 LYS 66 - HB2 LYS 68 far 0 53 0 - 7.4-9.5 HD2 LYS 73 - HB3 LYS 39 far 0 59 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 31 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 59 0 - 8.7-12.6 HD3 LYS 73 - HB2 LYS 68 far 0 29 0 - 8.9-12.2 HB ILE 15 - HB2 LYS 20 far 0 47 0 - 9.0-12.0 HD3 LYS 66 - HB3 LYS 39 far 0 91 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 56 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.6-14.1 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-12.7 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.9-12.7 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 411 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 3.03 A): 7 out of 48 assignments used, quality = 1.00: HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.5-3.9 3.6=61, 3.0/473=14...(87) HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=61, 3.0/473=15...(87) HD2 LYS 12 + HB2 LYS 12 OK 95 100 95 100 2.1-4.0 3.6=61, 3.0/473=15...(87) * HD3 LYS 12 + HB3 LYS 12 OK 85 100 85 100 2.1-4.2 3.6=61, 387/3.0=14...(87) HG3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.2-3.0 3.0=100 HD2 LYS 20 + HB2 LYS 20 OK 42 54 80 98 2.4-4.1 3.5=63, ~848=12...(76) HD3 LYS 20 + HB2 LYS 20 OK 35 50 70 98 2.3-4.2 3.5=63, ~848=12...(76) HD3 LYS 13 - HB2 LYS 12 far 15 100 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 10 100 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 10 100 10 - 3.7-7.8 HD3 LYS 13 - HB3 LYS 12 lone 5 100 25 19 3.4-7.1 6179/4.2=12, 437/4.0=3...(4) HD3 LYS 24 - HB2 LYS 20 far 3 68 5 - 2.9-7.7 HD2 LYS 24 - HB2 LYS 20 far 3 67 5 - 3.7-7.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.5 HG LEU 70 - HB3 LYS 39 far 0 91 0 - 4.2-7.9 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.6-6.5 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.4 HB3 LEU 70 - HB3 LYS 39 far 0 85 0 - 5.0-7.5 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 91 0 - 6.4-9.7 HD2 ARG 81 - HB3 LYS 68 far 0 72 0 - 6.5-11.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 91 0 - 6.7-9.3 HB3 LEU 70 - HB2 LYS 68 far 0 47 0 - 6.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 84 0 - 6.8-8.9 HD2 LYS 90 - HB2 LYS 20 far 0 33 0 - 6.8-9.9 HG LEU 70 - HB2 LYS 68 far 0 53 0 - 7.0-9.6 HD2 ARG 81 - HB2 LYS 68 far 0 39 0 - 7.0-11.9 HD3 LYS 90 - HB2 LYS 20 far 0 68 0 - 7.0-10.7 HD3 LYS 66 - HB2 LYS 68 far 0 53 0 - 7.4-9.5 HD2 LYS 73 - HB3 LYS 39 far 0 59 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 31 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 59 0 - 8.7-12.6 HD3 LYS 73 - HB2 LYS 68 far 0 29 0 - 8.9-12.2 HB ILE 15 - HB2 LYS 20 far 0 47 0 - 9.0-12.0 HD3 LYS 66 - HB3 LYS 39 far 0 91 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 56 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.6-14.1 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-12.7 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.9-12.7 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.9-13.0 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 2.4-4.9 4.8=100 HE2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-4.8 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 21 98 25 86 5.4-6.4 3.0/8368=38, 4.5/6153=35...(7) HB3 ASP 11 - HB2 LYS 12 far 0 97 0 - 6.2-7.2 HE3 LYS 33 - HB2 LYS 12 far 0 97 0 - 7.6-12.5 HB2 SER 9 - HB3 LYS 12 far 0 96 0 - 7.7-9.7 HB2 SER 9 - HB2 LYS 12 far 0 95 0 - 7.9-9.9 HE2 LYS 33 - HB2 LYS 12 far 0 97 0 - 8.1-13.4 HE3 LYS 33 - HB3 LYS 12 far 0 98 0 - 8.2-12.8 HE2 LYS 33 - HB3 LYS 12 far 0 98 0 - 8.3-13.9 HB2 PHE 45 - HB3 LYS 39 far 0 74 0 - 9.3-10.8 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 25 assignments used, quality = 1.00: * HE3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.4-5.4 4.8=100 HE3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-5.5 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 27 79 40 85 5.4-6.4 3.0/8368=39, 4.5/6153=36...(7) HE2 LYS 13 - HB2 LYS 12 poor 20 100 20 - 5.4-9.2 HE3 LYS 13 - HB3 LYS 12 poor 16 100 65 25 4.1-8.1 6181/4.2=17, 6159/4.0=5...(5) HE3 LYS 13 - HB2 LYS 12 poor 11 100 40 27 4.8-9.0 6181/4.2=17, 6159/4.0=5 HE2 LYS 13 - HB3 LYS 12 poor 10 100 45 23 4.2-8.6 7.3/6166=16, 6159/4.0=3...(5) HG2 MET 21 - HB2 LYS 20 poor 10 52 20 - 4.1-7.2 HE2 LYS 73 - HB3 LYS 39 far 4 85 5 - 5.8-12.1 HE3 LYS 24 - HB2 LYS 20 lone 0 68 35 1 2.8-9.2 HE2 LYS 24 - HB2 LYS 20 lone 0 68 30 1 3.3-9.0 HB3 ASP 11 - HB2 LYS 12 far 0 79 0 - 6.2-7.2 HE3 LYS 73 - HB3 LYS 39 far 0 80 0 - 6.8-12.3 HE3 LYS 90 - HB2 LYS 20 far 0 47 0 - 7.2-11.1 HB2 SER 9 - HB3 LYS 12 far 0 84 0 - 7.7-9.7 HB2 ASN 10 - HB3 LYS 12 far 0 63 0 - 7.9-9.3 HB2 SER 9 - HB2 LYS 12 far 0 84 0 - 7.9-9.9 HE3 LYS 73 - HB2 LYS 68 far 0 44 0 - 8.6-13.6 HE3 LYS 73 - HB3 LYS 68 far 0 80 0 - 8.9-14.2 HB2 ASN 10 - HB2 LYS 12 far 0 63 0 - 9.0-10.0 HB2 PHE 45 - HB3 LYS 39 far 0 82 0 - 9.3-10.8 HE2 LYS 13 - HB2 LYS 20 far 0 67 0 - 9.5-16.1 HE2 LYS 73 - HB3 LYS 68 far 0 85 0 - 9.5-12.8 HE2 LYS 73 - HB2 LYS 68 far 0 48 0 - 9.8-12.3 HE3 LYS 90 - HB2 LYS 12 far 0 79 0 - 9.9-16.6 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 13 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 12 OK 94 100 100 94 2.8-3.1 6166=52, 6165/1.8=38...(12) H LYS 13 + HB2 LYS 12 OK 93 100 100 93 3.3-4.0 4.2=49, 6166/1.8=41...(10) H LYS 39 + HB3 LYS 39 OK 89 89 100 100 2.9-3.5 6605=94, 6604/1.8=71...(16) H GLU 17 - HB2 LYS 20 far 0 64 0 - 4.9-8.0 H ILE 15 - HB2 LYS 12 far 0 100 0 - 4.9-5.3 H ILE 15 - HB3 LYS 12 far 0 100 0 - 5.4-5.8 H GLU 17 - HB2 LYS 12 far 0 98 0 - 6.2-7.5 H GLU 17 - HB3 LYS 12 far 0 98 0 - 7.3-8.4 H LYS 90 - HB2 LYS 20 far 0 47 0 - 7.6-10.8 H ILE 15 - HB2 LYS 20 far 0 68 0 - 9.0-12.1 H GLU 75 - HB2 LYS 68 far 0 53 0 - 9.4-11.2 H GLU 75 - HB3 LYS 68 far 0 91 0 - 9.5-11.8 H GLU 75 - HB3 LYS 39 far 0 91 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 415 from cnoeabs.peaks (8.56, 1.45, 25.00 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.0-4.4 6154=96, 6155/1.8=87...(20) H LYS 12 - HG2 LYS 13 far 14 92 15 - 4.3-7.1 H ASN 51 - HG2 LYS 53 far 0 64 0 - 5.7-6.2 H ASN 51 - HG3 LYS 53 far 0 54 0 - 6.5-7.7 H GLN 50 - HG2 LYS 53 far 0 81 0 - 7.2-8.8 H GLN 50 - HG3 LYS 53 far 0 70 0 - 8.0-9.9 Violated in 2 structures by 0.01 A. Peak 416 from cnoeabs.peaks (3.85, 1.45, 25.00 ppm; 3.89 A): 1 out of 18 assignments used, quality = 1.00: * HA LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.2-3.2 3.7=100 HA2 GLY 101 - HG3 LYS 53 poor 14 72 20 - 4.3-10.1 HA3 GLY 101 - HG3 LYS 53 poor 8 39 20 - 4.4-9.4 HA3 GLY 101 - HG2 LYS 53 far 2 47 5 - 4.7-9.3 HA2 GLY 101 - HG2 LYS 53 far 0 83 0 - 5.0-9.9 HA2 GLY 100 - HG3 LYS 53 far 0 72 0 - 5.2-9.4 HB2 SER 102 - HG2 LYS 53 far 0 45 0 - 5.2-12.6 HA2 GLY 100 - HG2 LYS 53 far 0 83 0 - 5.7-9.2 HA LYS 12 - HG2 LYS 13 far 0 92 0 - 5.7-7.7 HB2 SER 102 - HG3 LYS 53 far 0 38 0 - 5.7-12.3 HA SER 97 - HG3 LYS 53 far 0 39 0 - 6.9-9.8 HA ALA 22 - HG2 LYS 20 far 0 70 0 - 7.4-9.6 HA SER 97 - HG2 LYS 53 far 0 47 0 - 8.1-9.8 HB3 SER 49 - HG2 LYS 53 far 0 87 0 - 9.0-10.8 HA ARG 91 - HG2 LYS 20 far 0 61 0 - 9.3-14.5 HA LYS 94 - HG2 LYS 20 far 0 89 0 - 9.5-12.7 HA LYS 12 - HG2 LYS 20 far 0 93 0 - 9.7-11.9 HB3 SER 49 - HG3 LYS 53 far 0 76 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 417 from cnoeabs.peaks (1.86, 1.45, 25.00 ppm; 2.90 A): 5 out of 16 assignments used, quality = 1.00: * HB2 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=95, 3.0/384=40...(58) HB3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=95, 3.0/384=40...(57) HB2 LYS 20 + HG2 LYS 20 OK 74 74 100 100 2.3-3.0 3.0=95, 3.0/848=32...(68) HB2 LYS 53 + HG2 LYS 53 OK 71 71 100 100 2.6-3.0 3.0=93, ~2451=21...(43) HB2 LYS 53 + HG3 LYS 53 OK 60 61 100 100 2.2-3.0 3.0=93, ~2451=21...(40) HB2 ARG 19 - HG2 LYS 20 far 0 70 0 - 4.0-7.1 HB3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.1-6.5 HB2 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.9-7.7 HB3 LYS 90 - HG2 LYS 20 far 0 66 0 - 5.0-11.0 HB3 LEU 14 - HG2 LYS 13 far 0 51 0 - 6.2-7.6 HB VAL 54 - HG3 LYS 53 far 0 63 0 - 6.9-8.4 HB VAL 54 - HG2 LYS 53 far 0 74 0 - 7.1-7.8 HB3 LEU 14 - HG2 LYS 12 far 0 61 0 - 7.1-8.4 HB2 ARG 19 - HG2 LYS 12 far 0 81 0 - 8.8-12.0 HB2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.3-11.3 HB3 GLU 104 - HG2 LYS 53 far 0 86 0 - 9.7-18.2 Violated in 0 structures by 0.00 A. Peak 418 from cnoeabs.peaks (1.87, 1.45, 25.00 ppm; 2.90 A): 5 out of 16 assignments used, quality = 1.00: HB2 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=95, 3.0/384=40...(58) * HB3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=95, 3.0/384=40...(57) HB2 LYS 20 + HG2 LYS 20 OK 77 77 100 100 2.3-3.0 3.0=95, 3.0/848=32...(68) HB2 LYS 53 + HG2 LYS 53 OK 68 68 100 100 2.6-3.0 3.0=93, ~2451=21...(43) HB2 LYS 53 + HG3 LYS 53 OK 58 58 100 100 2.2-3.0 3.0=93, ~2451=21...(40) HB2 ARG 19 - HG2 LYS 20 far 0 73 0 - 4.0-7.1 HB3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.1-6.5 HB2 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.9-7.7 HB3 LYS 90 - HG2 LYS 20 far 0 63 0 - 5.0-11.0 HB3 LEU 14 - HG2 LYS 13 far 0 55 0 - 6.2-7.6 HB VAL 54 - HG3 LYS 53 far 0 65 0 - 6.9-8.4 HB VAL 54 - HG2 LYS 53 far 0 76 0 - 7.1-7.8 HB3 LEU 14 - HG2 LYS 12 far 0 65 0 - 7.1-8.4 HB2 ARG 19 - HG2 LYS 12 far 0 84 0 - 8.8-12.0 HB2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.3-11.3 HB3 GLU 104 - HG2 LYS 53 far 0 86 0 - 9.7-18.2 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 16 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 - 2.9-7.4 HG3 LYS 90 - HG2 LYS 20 far 0 90 0 - 5.5-10.5 HG2 LYS 24 - HG2 LYS 20 far 0 91 0 - 6.1-9.6 HG3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.2-8.5 HB2 ARG 79 - HG3 LYS 53 far 0 75 0 - 6.3-9.6 HG LEU 103 - HG2 LYS 53 far 0 83 0 - 7.0-14.4 HG2 ARG 19 - HG2 LYS 12 far 0 99 0 - 7.1-12.2 HB3 LEU 29 - HG2 LYS 20 far 0 93 0 - 7.3-9.6 HB2 ARG 79 - HG2 LYS 53 far 0 86 0 - 7.4-10.4 HG LEU 103 - HG3 LYS 53 far 0 72 0 - 7.9-13.4 HB2 LEU 103 - HG2 LYS 53 far 0 84 0 - 8.9-14.5 HD3 LYS 94 - HG2 LYS 20 far 0 92 0 - 8.9-14.6 HB2 LEU 103 - HG3 LYS 53 far 0 73 0 - 9.3-14.6 HG LEU 27 - HG3 LYS 53 far 0 75 0 - 9.6-12.5 HB3 GLU 28 - HG3 LYS 53 far 0 50 0 - 10.0-12.5 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 39 assignments used, quality = 1.00: HD3 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=67, 3.0/463=27...(64) * HD2 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.4-3.0 3.0=67, 3.0/463=27...(64) HD2 LYS 13 + HG2 LYS 13 OK 89 92 100 96 2.3-3.0 3.0=69, 487/3.9=10...(58) HD3 LYS 13 + HG2 LYS 13 OK 88 92 100 96 2.5-3.0 3.0=69, 487/3.9=10...(58) HB3 LYS 53 + HG2 LYS 53 OK 77 80 100 96 2.5-3.0 3.0=68, 2451/3.0=30...(28) HD2 LYS 20 + HG2 LYS 20 OK 74 77 100 96 2.2-2.9 2.8=77, 5.3/848=10...(85) 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, 5.3/848=10...(79) HB3 LYS 53 + HG3 LYS 53 OK 67 69 100 97 2.2-3.0 3.0=68, 2451/3.0=30...(28) HB ILE 15 - HG2 LYS 12 far 0 79 0 - 3.9-5.1 HG12 ILE 15 - HG2 LYS 12 far 0 100 0 - 4.6-6.6 HB ILE 52 - HG2 LYS 53 far 0 61 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 90 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 100 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 100 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 51 0 - 6.0-7.4 HD3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 92 0 - 6.1-12.4 HD2 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.8-10.0 HB ILE 15 - HG2 LYS 13 far 0 67 0 - 7.2-8.6 HD2 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.3-10.0 HD3 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.3-10.2 HB2 LEU 2 - HG3 LYS 53 far 0 76 0 - 7.4-10.5 HD2 LYS 90 - HG2 LYS 20 far 0 50 0 - 7.5-11.4 HB ILE 15 - HG2 LYS 20 far 0 68 0 - 8.1-10.8 HB2 LEU 2 - HG2 LYS 53 far 0 87 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 93 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 88 0 - 8.8-13.1 HD2 LYS 20 - HG2 LYS 13 far 0 76 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 72 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 93 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 91 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 91 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 91 0 - 9.9-14.9 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 39 assignments used, quality = 1.00: * HD3 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=67, 3.0/463=27...(64) HD2 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.4-3.0 3.0=67, 3.0/463=27...(64) HD2 LYS 13 + HG2 LYS 13 OK 89 92 100 96 2.3-3.0 3.0=69, 487/3.9=10...(58) HD3 LYS 13 + HG2 LYS 13 OK 88 92 100 96 2.5-3.0 3.0=69, 487/3.9=10...(58) HB3 LYS 53 + HG2 LYS 53 OK 77 80 100 96 2.5-3.0 3.0=68, 2451/3.0=30...(28) HD2 LYS 20 + HG2 LYS 20 OK 74 77 100 96 2.2-2.9 2.8=77, 5.3/848=10...(85) 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, 5.3/848=10...(79) HB3 LYS 53 + HG3 LYS 53 OK 67 69 100 97 2.2-3.0 3.0=68, 2451/3.0=30...(28) HB ILE 15 - HG2 LYS 12 far 0 79 0 - 3.9-5.1 HG12 ILE 15 - HG2 LYS 12 far 0 100 0 - 4.6-6.6 HB ILE 52 - HG2 LYS 53 far 0 61 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 90 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 100 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 100 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 51 0 - 6.0-7.4 HD3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 92 0 - 6.1-12.4 HD2 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.8-10.0 HB ILE 15 - HG2 LYS 13 far 0 67 0 - 7.2-8.6 HD2 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.3-10.0 HD3 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.3-10.2 HB2 LEU 2 - HG3 LYS 53 far 0 76 0 - 7.4-10.5 HD2 LYS 90 - HG2 LYS 20 far 0 50 0 - 7.5-11.4 HB ILE 15 - HG2 LYS 20 far 0 68 0 - 8.1-10.8 HB2 LEU 2 - HG2 LYS 53 far 0 87 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 93 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 88 0 - 8.8-13.1 HD2 LYS 20 - HG2 LYS 13 far 0 76 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 72 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 93 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 91 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 91 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 91 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 423 from cnoeabs.peaks (3.01, 1.45, 25.00 ppm; 3.95 A): 1 out of 11 assignments used, quality = 0.99: * HE2 LYS 12 + HG2 LYS 12 OK 99 100 100 99 2.2-3.6 4.0=99 HB3 ASP 11 - HG2 LYS 13 poor 19 87 30 73 3.7-5.8 12269/6191=25...(8) HE3 LYS 33 - HG2 LYS 12 far 0 98 0 - 5.3-10.1 HE2 LYS 33 - HG2 LYS 12 far 0 98 0 - 5.5-11.2 HB3 ASP 11 - HG2 LYS 12 far 0 98 0 - 6.0-7.9 HB2 SER 9 - HG2 LYS 12 far 0 96 0 - 6.7-9.9 HE2 LYS 12 - HG2 LYS 13 far 0 92 0 - 7.2-11.0 HB2 PHE 45 - HG2 LYS 53 far 0 70 0 - 8.8-10.3 HB2 SER 9 - HG2 LYS 13 far 0 84 0 - 8.9-10.9 HE2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.1-14.8 HB2 PHE 45 - HG3 LYS 53 far 0 59 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (2.96, 1.45, 25.00 ppm; 4.37 A): 4 out of 26 assignments used, quality = 1.00: * HE3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 3.1-4.1 4.0=100 HE2 LYS 13 + HG2 LYS 13 OK 91 91 100 100 2.2-3.9 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 91 91 100 100 2.2-3.7 3.8=100 HB3 ASP 11 + HG2 LYS 13 OK 23 67 45 76 3.7-5.8 6196/6191=28...(9) HB2 ASN 51 - HG2 LYS 53 poor 19 76 40 61 4.9-5.9 4.0/9106=29, 4.6/6863=21...(7) HE3 LYS 24 - HG2 LYS 20 far 9 92 10 - 4.3-12.0 HB2 ASN 51 - HG3 LYS 53 poor 8 65 45 27 4.8-7.3 8030/8023=14...(4) HG2 MET 21 - HG2 LYS 20 far 7 74 10 - 5.0-8.5 HE2 LYS 24 - HG2 LYS 20 far 5 92 5 - 4.5-11.6 HE3 LYS 90 - HG2 LYS 20 far 0 68 0 - 5.3-12.7 HB3 ASP 11 - HG2 LYS 12 far 0 79 0 - 6.0-7.9 HB2 SER 9 - HG2 LYS 12 far 0 84 0 - 6.7-9.9 HB2 ASN 10 - HG2 LYS 12 far 0 63 0 - 6.8-10.1 HE3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.8-11.9 HE3 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.0-10.5 HE2 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.2-10.9 HB3 PHE 45 - HG2 LYS 53 far 0 87 0 - 7.6-8.6 HB3 PHE 45 - HG3 LYS 53 far 0 76 0 - 8.1-9.4 HB2 ASN 10 - HG2 LYS 13 far 0 53 0 - 8.3-11.9 HB2 PHE 45 - HG2 LYS 53 far 0 77 0 - 8.8-10.3 HB2 SER 9 - HG2 LYS 13 far 0 72 0 - 8.9-10.9 HE3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.0-14.6 HE2 LYS 13 - HG2 LYS 20 far 0 92 0 - 9.1-15.2 HE3 LYS 90 - HG2 LYS 13 far 0 67 0 - 9.3-13.8 HB2 PHE 45 - HG3 LYS 53 far 0 66 0 - 9.4-10.7 HE3 LYS 13 - HG2 LYS 20 far 0 91 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 425 from cnoeabs.peaks (8.07, 1.45, 25.00 ppm; 4.04 A): 2 out of 11 assignments used, quality = 0.95: H LYS 13 + HG2 LYS 13 OK 92 92 100 100 2.3-4.4 6176=95, 6177/1.8=84...(23) * H LYS 13 + HG2 LYS 12 OK 44 100 45 98 4.4-5.3 3.6/384=63, 6163/415=52...(9) H GLU 17 - HG2 LYS 20 poor 18 89 25 80 4.6-7.4 6250/10462=21...(21) H ILE 15 - HG2 LYS 12 far 0 100 0 - 5.3-6.1 H SER 102 - HG3 LYS 53 far 0 68 0 - 5.7-9.8 H SER 102 - HG2 LYS 53 far 0 79 0 - 5.9-10.2 H ILE 15 - HG2 LYS 13 far 0 92 0 - 6.0-7.2 H GLU 17 - HG2 LYS 13 far 0 88 0 - 6.8-7.8 H LYS 90 - HG2 LYS 20 far 0 68 0 - 7.8-11.5 H GLU 17 - HG2 LYS 12 far 0 98 0 - 7.8-9.4 H ILE 15 - HG2 LYS 20 far 0 93 0 - 8.4-10.9 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 3 assignments used, quality = 1.00: * H LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.1-3.8 6155=100, 415/1.8=67...(20) H GLN 50 - HG3 LYS 47 far 0 58 0 - 6.5-9.8 H ASN 51 - HG3 LYS 47 far 0 44 0 - 8.0-13.7 Violated in 0 structures by 0.00 A. Peak 427 from cnoeabs.peaks (3.85, 1.59, 25.00 ppm; 4.24 A): 1 out of 15 assignments used, quality = 1.00: * HA LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.1-3.8 3.7=100 HA ALA 71 - HG3 LYS 73 poor 20 99 25 79 4.7-7.8 9579/7208=49...(4) HA ARG 91 - HG3 LYS 90 far 2 45 5 - 3.6-6.6 HA GLU 43 - HG3 LYS 47 far 0 44 0 - 5.4-7.9 HB3 SER 49 - HG3 LYS 47 far 0 63 0 - 6.0-8.4 HA LYS 94 - HG2 LYS 24 far 0 96 0 - 6.0-9.0 HA ALA 22 - HG2 LYS 24 far 0 77 0 - 6.6-8.1 HA ALA 67 - HG3 LYS 73 far 0 100 0 - 7.5-10.5 HA LYS 94 - HG3 LYS 90 far 0 70 0 - 7.5-10.5 HA ALA 22 - HG3 LYS 90 far 0 52 0 - 8.6-10.9 HA ARG 91 - HG2 LYS 24 far 0 68 0 - 8.7-12.2 HA GLU 35 - HG3 LYS 73 far 0 73 0 - 8.8-13.2 HA GLU 43 - HG3 LYS 73 far 0 80 0 - 9.4-13.3 HA LYS 40 - HG3 LYS 47 far 0 60 0 - 9.4-11.8 HA LEU 38 - HG3 LYS 73 far 0 92 0 - 9.7-14.3 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 2.5-3.0 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LYS 90 + HG3 LYS 90 OK 50 50 100 100 2.2-2.8 2.8=100 HB2 LYS 20 - HG2 LYS 24 far 4 82 5 - 4.1-7.2 HB2 LYS 20 - HG3 LYS 90 far 0 56 0 - 5.1-9.2 HG2 ARG 46 - HG3 LYS 47 far 0 30 0 - 5.5-7.4 HB3 LYS 39 - HG3 LYS 73 far 0 100 0 - 7.0-11.3 HB3 LYS 90 - HG2 LYS 24 far 0 74 0 - 7.3-9.7 HB3 LEU 14 - HG3 LYS 12 far 0 61 0 - 7.3-8.8 HB3 LYS 68 - HG3 LYS 73 far 0 99 0 - 7.8-10.8 HB2 LYS 68 - HG3 LYS 73 far 0 83 0 - 7.9-10.0 HG LEU 42 - HG3 LYS 73 far 0 73 0 - 8.1-12.2 HB2 ARG 19 - HG3 LYS 90 far 0 52 0 - 8.7-11.6 HB3 LEU 14 - HG3 LYS 90 far 0 38 0 - 8.7-10.8 HG2 ARG 46 - HG3 LYS 73 far 0 59 0 - 9.3-14.0 HB2 ARG 19 - HG2 LYS 24 far 0 77 0 - 9.4-11.1 HB3 LYS 66 - HG3 LYS 73 far 0 100 0 - 9.5-11.6 HB2 ARG 19 - HG3 LYS 12 far 0 81 0 - 9.7-12.5 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 17 assignments used, quality = 1.00: * HB3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 90 + HG3 LYS 90 OK 47 47 100 100 2.2-2.8 2.8=100 HB2 LYS 20 - HG2 LYS 24 far 4 85 5 - 4.1-7.2 HB2 LYS 20 - HG3 LYS 90 far 0 59 0 - 5.1-9.2 HB2 GLU 43 - HG3 LYS 47 far 0 29 0 - 5.3-8.6 HB3 LYS 39 - HG3 LYS 73 far 0 100 0 - 7.0-11.3 HB3 LYS 90 - HG2 LYS 24 far 0 70 0 - 7.3-9.7 HB3 LEU 14 - HG3 LYS 12 far 0 65 0 - 7.3-8.8 HB3 LYS 68 - HG3 LYS 73 far 0 100 0 - 7.8-10.8 HB2 LYS 68 - HG3 LYS 73 far 0 80 0 - 7.9-10.0 HG LEU 42 - HG3 LYS 73 far 0 76 0 - 8.1-12.2 HB2 ARG 19 - HG3 LYS 90 far 0 55 0 - 8.7-11.6 HB3 LEU 14 - HG3 LYS 90 far 0 41 0 - 8.7-10.8 HB2 ARG 19 - HG2 LYS 24 far 0 80 0 - 9.4-11.1 HB3 LYS 66 - HG3 LYS 73 far 0 100 0 - 9.5-11.6 HB2 ARG 19 - HG3 LYS 12 far 0 84 0 - 9.7-12.5 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 17 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 far 0 72 0 - 3.9-9.4 HG3 LYS 39 - HG3 LYS 73 far 0 100 0 - 4.7-11.3 QB ALA 71 - HG3 LYS 73 far 0 67 0 - 5.3-7.4 HG2 LYS 20 - HG3 LYS 90 far 0 69 0 - 5.5-10.5 HG2 LYS 20 - HG2 LYS 24 far 0 96 0 - 6.1-9.6 HG2 LYS 13 - HG3 LYS 12 far 0 96 0 - 6.2-8.5 HG13 ILE 52 - HG3 LYS 47 far 0 59 0 - 6.3-10.7 HG13 ILE 76 - HG3 LYS 73 far 0 99 0 - 6.3-11.2 QB ALA 22 - HG2 LYS 24 far 0 97 0 - 6.9-8.0 QB ALA 22 - HG3 LYS 90 far 0 71 0 - 7.6-9.5 HG13 ILE 76 - HG3 LYS 47 far 0 61 0 - 7.8-10.6 HB2 LEU 27 - HG2 LYS 24 far 0 96 0 - 7.9-10.2 HB2 LEU 38 - HG3 LYS 73 far 0 98 0 - 8.0-13.9 HG LEU 38 - HG3 LYS 73 far 0 96 0 - 8.1-13.3 HG12 ILE 7 - HG3 LYS 90 far 0 61 0 - 9.5-11.2 HD2 LYS 40 - HG3 LYS 47 far 0 53 0 - 10.0-13.9 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 36 assignments used, quality = 1.00: HD3 LYS 12 + HG3 LYS 12 OK 96 100 100 96 2.5-3.0 3.0=59, 3.0/464=24...(50) * HD2 LYS 12 + HG3 LYS 12 OK 96 100 100 96 2.2-3.0 3.0=59, 3.0/464=24...(48) HD3 LYS 24 + HG2 LYS 24 OK 93 98 100 94 2.4-3.0 3.0=60, 1.8/1121=12...(63) HD2 LYS 24 + HG2 LYS 24 OK 92 98 100 94 2.3-3.0 3.0=60, 1.8/1121=12...(54) HD3 LYS 90 + HG3 LYS 90 OK 67 73 100 92 2.3-2.9 2.9=61, 3981/2.8=17...(22) HD2 LYS 73 + HG3 LYS 73 OK 66 71 100 94 2.2-3.0 3.0=60, 1.8/3298=23...(56) HD3 LYS 73 + HG3 LYS 73 OK 63 67 100 94 2.2-3.0 3.0=60, 1.8/3298=23...(61) HD3 LYS 47 + HG3 LYS 47 OK 51 53 100 95 2.2-3.0 3.0=59, 1.8/3298=9...(84) HD2 LYS 47 + HG3 LYS 47 OK 50 52 100 95 2.4-3.0 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=16...(24) HB ILE 15 - HG3 LYS 12 far 0 79 0 - 3.7-6.2 HB3 LEU 70 - HG3 LYS 73 far 0 96 0 - 3.9-7.5 HB3 ARG 91 - HG3 LYS 90 far 0 64 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 100 0 - 4.8-8.4 HG3 LYS 20 - HG2 LYS 24 far 0 80 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 72 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 100 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.6-9.4 HB ILE 52 - HG3 LYS 47 far 0 41 0 - 6.0-10.0 HD2 LYS 20 - HG3 LYS 90 far 0 59 0 - 6.1-10.5 HD3 LYS 20 - HG2 LYS 24 far 0 80 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 100 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 85 0 - 7.2-9.8 HD2 LYS 90 - HG2 LYS 24 far 0 56 0 - 7.4-12.3 HB2 LEU 2 - HG3 LYS 47 far 0 63 0 - 7.7-13.5 HD2 LYS 33 - HG3 LYS 12 far 0 87 0 - 7.9-10.9 HD3 LYS 90 - HG2 LYS 24 far 0 98 0 - 8.2-11.4 HD3 LYS 33 - HG3 LYS 12 far 0 87 0 - 8.4-11.1 HD3 LYS 24 - HG3 LYS 90 far 0 73 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 74 0 - 8.8-13.3 HD2 LYS 24 - HG3 LYS 90 far 0 73 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 88 0 - 9.5-14.1 HD3 LYS 13 - HG3 LYS 90 far 0 74 0 - 10.0-13.8 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 36 assignments used, quality = 1.00: * HD3 LYS 12 + HG3 LYS 12 OK 96 100 100 96 2.5-3.0 3.0=59, 3.0/464=24...(50) HD2 LYS 12 + HG3 LYS 12 OK 96 100 100 96 2.2-3.0 3.0=59, 3.0/464=24...(48) HD3 LYS 24 + HG2 LYS 24 OK 93 98 100 94 2.4-3.0 3.0=60, 1.8/1121=12...(63) HD2 LYS 24 + HG2 LYS 24 OK 92 98 100 94 2.3-3.0 3.0=60, 1.8/1121=12...(54) HD3 LYS 90 + HG3 LYS 90 OK 67 73 100 92 2.3-2.9 2.9=61, 3981/2.8=17...(22) HD2 LYS 73 + HG3 LYS 73 OK 66 71 100 94 2.2-3.0 3.0=60, 1.8/3298=23...(56) HD3 LYS 73 + HG3 LYS 73 OK 63 67 100 94 2.2-3.0 3.0=60, 1.8/3298=23...(61) HD3 LYS 47 + HG3 LYS 47 OK 51 53 100 95 2.2-3.0 3.0=59, 1.8/3298=9...(84) HD2 LYS 47 + HG3 LYS 47 OK 50 52 100 95 2.4-3.0 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=16...(24) HB ILE 15 - HG3 LYS 12 far 0 79 0 - 3.7-6.2 HB3 LEU 70 - HG3 LYS 73 far 0 96 0 - 3.9-7.5 HB3 ARG 91 - HG3 LYS 90 far 0 64 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 100 0 - 4.8-8.4 HG3 LYS 20 - HG2 LYS 24 far 0 80 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 72 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 100 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.6-9.4 HB ILE 52 - HG3 LYS 47 far 0 41 0 - 6.0-10.0 HD2 LYS 20 - HG3 LYS 90 far 0 59 0 - 6.1-10.5 HD3 LYS 20 - HG2 LYS 24 far 0 80 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 100 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 85 0 - 7.2-9.8 HD2 LYS 90 - HG2 LYS 24 far 0 56 0 - 7.4-12.3 HB2 LEU 2 - HG3 LYS 47 far 0 63 0 - 7.7-13.5 HD2 LYS 33 - HG3 LYS 12 far 0 87 0 - 7.9-10.9 HD3 LYS 90 - HG2 LYS 24 far 0 98 0 - 8.2-11.4 HD3 LYS 33 - HG3 LYS 12 far 0 87 0 - 8.4-11.1 HD3 LYS 24 - HG3 LYS 90 far 0 73 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 74 0 - 8.8-13.3 HD2 LYS 24 - HG3 LYS 90 far 0 73 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 88 0 - 9.5-14.1 HD3 LYS 13 - HG3 LYS 90 far 0 74 0 - 10.0-13.8 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 8 assignments used, quality = 1.00: * HE2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-3.6 4.0=100 HE3 LYS 47 + HG3 LYS 47 OK 38 38 100 100 2.0-4.2 3.8=100 HE2 LYS 47 + HG3 LYS 47 OK 38 38 100 100 2.4-4.2 3.8=100 HB2 PHE 45 - HG3 LYS 47 far 0 48 0 - 5.5-8.1 HE2 LYS 33 - HG3 LYS 12 far 0 98 0 - 6.1-12.3 HB3 ASP 11 - HG3 LYS 12 far 0 98 0 - 6.2-8.2 HE3 LYS 33 - HG3 LYS 12 far 0 98 0 - 6.4-11.1 HB2 SER 9 - HG3 LYS 12 far 0 96 0 - 6.8-10.6 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 21 assignments used, quality = 1.00: * HE3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.4-4.2 4.0=66, 1.8/464=66...(52) HE3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.4-3.7 3.7=80, 12306/3.7=18...(114) HE2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.0-3.9 3.7=80, 12306/3.7=18...(114) HE2 LYS 73 + HG3 LYS 73 OK 96 96 100 100 2.4-4.0 4.0=64, 3.0/3298=26...(117) HE3 LYS 73 + HG3 LYS 73 OK 92 92 100 100 2.3-4.2 4.0=64, 3.0/3298=26...(116) HE2 LYS 47 + HG3 LYS 47 OK 60 61 100 100 2.4-4.2 3.8=77, 2154/3.0=14...(138) HE3 LYS 47 + HG3 LYS 47 OK 60 61 100 100 2.0-4.2 3.8=77, 1.8/2206=14...(138) HE3 LYS 90 + HG3 LYS 90 OK 50 51 100 99 2.1-3.7 3.8=76, 4005/1.8=47...(26) HG2 MET 21 + HG3 LYS 90 OK 22 56 45 88 2.4-6.6 8546/3916=26...(21) HG2 MET 21 - HG2 LYS 24 far 0 82 0 - 4.6-7.5 HB3 PHE 45 - HG3 LYS 47 far 0 63 0 - 5.1-8.6 HB2 PHE 45 - HG3 LYS 47 far 0 54 0 - 5.5-8.1 HE2 LYS 13 - HG3 LYS 12 far 0 100 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 100 0 - 6.1-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 79 0 - 6.2-8.2 HB2 ASN 10 - HG3 LYS 12 far 0 63 0 - 6.6-9.5 HB2 SER 9 - HG3 LYS 12 far 0 84 0 - 6.8-10.6 HE3 LYS 90 - HG2 LYS 24 far 0 75 0 - 8.3-12.2 HE2 LYS 13 - HG3 LYS 90 far 0 73 0 - 9.0-15.4 HE2 LYS 24 - HG3 LYS 90 far 0 73 0 - 9.4-13.3 HE3 LYS 24 - HG3 LYS 90 far 0 73 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 436 from cnoeabs.peaks (8.07, 1.59, 25.00 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.92: * H LYS 13 + HG3 LYS 12 OK 84 100 85 99 4.5-5.2 6163/6155=63, 6168=57...(9) H LYS 90 + HG3 LYS 90 OK 51 51 100 100 3.1-3.8 7420=71, 7419/1.8=67...(23) H GLU 75 - HG3 LYS 73 far 15 100 15 - 4.6-6.1 H ILE 15 - HG3 LYS 12 far 0 100 0 - 5.2-7.1 H GLU 17 - HG3 LYS 90 far 0 69 0 - 5.8-8.0 H LYS 39 - HG3 LYS 73 far 0 99 0 - 7.7-12.3 H GLU 17 - HG3 LYS 12 far 0 98 0 - 8.1-9.9 H ILE 15 - HG3 LYS 90 far 0 74 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 437 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.57 A): 4 out of 9 assignments used, quality = 1.00: H LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.0-5.1 6155/3.0=96, 415/3.0=91...(20) * H LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.5-5.3 6155/3.0=96, 415/3.0=91...(20) H LYS 12 + HD3 LYS 13 OK 48 96 70 71 4.0-7.9 6163/6.0=59, 6185/560=10...(6) H LYS 12 + HD2 LYS 13 OK 34 96 50 70 4.2-7.5 6163/6.0=59, 6185/560=9...(5) H LYS 12 - HG12 ILE 15 poor 17 68 25 - 5.7-6.9 H GLN 50 - HD2 LYS 47 far 0 66 0 - 7.7-11.4 H GLN 50 - HD3 LYS 47 far 0 68 0 - 8.5-11.0 H VAL 58 - HG12 ILE 15 far 0 57 0 - 9.5-11.5 H ASN 51 - HD2 LYS 47 far 0 51 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 438 from cnoeabs.peaks (3.85, 1.70, 29.09 ppm; 4.12 A): 4 out of 24 assignments used, quality = 1.00: HA LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-4.7 384/3.0=75, 385/3.0=56...(45) * HA LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.3-4.8 384/3.0=75, 385/3.0=56...(44) HA LYS 12 + HG12 ILE 15 OK 68 68 100 100 3.6-4.9 8446/2.1=83, 644/2.9=71...(13) HA ARG 91 + HB3 ARG 91 OK 47 47 100 100 2.4-3.0 3.0=100 HA ARG 91 - HD3 LYS 90 poor 20 41 50 97 2.9-7.4 ~7437=43, ~3978=34...(22) HA LYS 12 - HD2 LYS 13 far 10 96 10 - 5.0-8.1 HA LYS 12 - HD3 LYS 13 far 0 96 0 - 5.2-8.3 HA GLU 43 - HD3 LYS 47 far 0 53 0 - 6.0-8.9 HA GLU 43 - HD2 LYS 47 far 0 51 0 - 6.1-9.3 HB3 SER 49 - HD2 LYS 47 far 0 72 0 - 6.6-10.2 HA ALA 22 - HD2 LYS 24 far 0 69 0 - 6.7-9.1 HA ALA 22 - HD3 LYS 24 far 0 69 0 - 7.1-8.9 HA LYS 94 - HB3 ARG 91 far 0 73 0 - 7.2-8.5 HA ALA 22 - HD3 LYS 90 far 0 47 0 - 7.2-11.3 HA LYS 94 - HD3 LYS 90 far 0 64 0 - 7.6-11.2 HA LYS 94 - HD3 LYS 24 far 0 89 0 - 7.6-10.3 HB3 SER 49 - HD3 LYS 47 far 0 74 0 - 7.9-9.5 HA LYS 94 - HD2 LYS 24 far 0 88 0 - 8.2-9.9 HA LYS 40 - HD2 LYS 47 far 0 69 0 - 8.4-12.7 HA ALA 22 - HD3 LYS 20 far 0 45 0 - 8.4-11.2 HA ALA 22 - HD2 LYS 20 far 0 51 0 - 8.6-11.0 HA LYS 12 - HD2 LYS 20 far 0 73 0 - 8.7-11.9 HA LYS 12 - HD3 LYS 20 far 0 65 0 - 8.8-11.7 HA LYS 40 - HD3 LYS 47 far 0 71 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 439 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.05 A): 7 out of 49 assignments used, quality = 1.00: HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.7 3.6=62, 473/3.0=15...(74) HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.5-3.9 3.6=62, 473/3.0=14...(74) * HB2 LYS 12 + HD2 LYS 12 OK 94 100 95 99 2.1-4.0 3.6=62, 473/3.0=15...(74) HB3 LYS 12 + HD3 LYS 12 OK 85 100 85 99 2.1-4.2 3.6=62, 3.0/387=15...(74) HB2 LYS 20 + HD2 LYS 20 OK 43 55 80 98 2.4-4.1 3.5=65, ~848=12...(60) HB2 LYS 20 + HD3 LYS 20 OK 38 49 80 98 2.3-4.2 3.5=65, ~848=12...(60) HB3 LYS 90 + HD3 LYS 90 OK 31 44 70 99 2.2-4.1 3.6=60, 3.0/3918=30...(47) HB2 LYS 12 - HD3 LYS 13 far 14 96 15 - 3.5-7.6 HB2 LYS 20 - HD3 LYS 24 far 11 74 15 - 2.9-7.7 HB2 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.7-7.8 HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.0-7.0 HB3 LYS 12 - HD3 LYS 13 lone 5 96 30 19 3.4-7.1 4.2/6178=12, 4.0/437=3 HB2 ARG 19 - HD3 LYS 20 far 5 45 10 - 3.3-7.4 HB2 LYS 20 - HD2 LYS 24 far 4 73 5 - 3.7-7.3 HB2 ARG 19 - HD2 LYS 20 far 3 51 5 - 3.3-7.2 HB3 LYS 90 - HB3 ARG 91 far 0 52 0 - 4.5-7.3 HB3 LEU 14 - HG12 ILE 15 far 0 34 0 - 5.1-6.7 HB3 LYS 90 - HD2 LYS 20 far 0 49 0 - 5.5-10.7 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.8-7.3 HG2 ARG 46 - HD2 LYS 47 far 0 36 0 - 5.9-9.9 HB2 ARG 19 - HG12 ILE 15 far 0 48 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 55 0 - 6.2-8.6 HB3 LYS 90 - HD3 LYS 20 far 0 43 0 - 6.4-10.6 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD2 LYS 12 far 0 61 0 - 6.6-10.3 HG2 ARG 46 - HD3 LYS 47 far 0 37 0 - 6.7-9.3 HB3 LEU 14 - HD3 LYS 13 far 0 55 0 - 6.7-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 81 0 - 7.0-12.9 HB2 LYS 20 - HD3 LYS 90 far 0 51 0 - 7.0-10.7 HB ILE 8 - HG12 ILE 15 far 0 44 0 - 7.3-8.7 HB3 LEU 14 - HD3 LYS 12 far 0 61 0 - 7.3-9.8 HB2 ARG 19 - HD2 LYS 24 far 0 69 0 - 7.6-12.3 HB3 LEU 14 - HD3 LYS 90 far 0 34 0 - 7.7-12.0 HB3 LYS 90 - HD3 LYS 24 far 0 66 0 - 7.8-11.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.0-11.1 HB2 ARG 19 - HD3 LYS 24 far 0 69 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 81 0 - 8.1-12.9 HB2 ARG 19 - HD3 LYS 90 far 0 47 0 - 8.3-13.2 HB3 LYS 90 - HD2 LYS 24 far 0 65 0 - 8.7-11.7 HB3 LEU 14 - HD3 LYS 20 far 0 33 0 - 9.2-13.6 HB VAL 5 - HG12 ILE 15 far 0 68 0 - 9.3-11.3 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.4-12.5 HB3 LEU 14 - HD2 LYS 20 far 0 37 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 73 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.5-14.4 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-12.4 HB2 LYS 20 - HD2 LYS 13 far 0 78 0 - 9.6-14.1 HB VAL 5 - HD3 LYS 90 far 0 67 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 440 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.05 A): 7 out of 49 assignments used, quality = 1.00: HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.7 3.6=62, 473/3.0=15...(74) * HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.5-3.9 3.6=62, 473/3.0=14...(74) HB2 LYS 12 + HD2 LYS 12 OK 94 100 95 99 2.1-4.0 3.6=62, 473/3.0=15...(74) HB3 LYS 12 + HD3 LYS 12 OK 85 100 85 99 2.1-4.2 3.6=62, 3.0/387=15...(74) HB2 LYS 20 + HD2 LYS 20 OK 45 58 80 98 2.4-4.1 3.5=65, ~848=12...(60) HB2 LYS 20 + HD3 LYS 20 OK 40 51 80 98 2.3-4.2 3.5=65, ~848=12...(60) HB3 LYS 90 + HD3 LYS 90 OK 29 42 70 99 2.2-4.1 3.6=60, 3.0/3918=30...(47) HB2 LYS 12 - HD3 LYS 13 far 14 96 15 - 3.5-7.6 HB2 LYS 20 - HD3 LYS 24 far 11 77 15 - 2.9-7.7 HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.0-7.0 HB2 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.7-7.8 HB3 LYS 12 - HD3 LYS 13 lone 5 96 30 19 3.4-7.1 4.2/6178=12, 4.0/437=3 HB2 ARG 19 - HD3 LYS 20 far 5 48 10 - 3.3-7.4 HB2 LYS 20 - HD2 LYS 24 far 4 76 5 - 3.7-7.3 HB2 ARG 19 - HD2 LYS 20 far 3 54 5 - 3.3-7.2 HB3 LYS 90 - HB3 ARG 91 far 0 49 0 - 4.5-7.3 HB3 LEU 14 - HG12 ILE 15 far 0 37 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 34 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 36 0 - 5.3-9.1 HB3 LYS 90 - HD2 LYS 20 far 0 46 0 - 5.5-10.7 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.8-7.3 HB2 ARG 19 - HG12 ILE 15 far 0 50 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 59 0 - 6.2-8.6 HB3 LYS 90 - HD3 LYS 20 far 0 40 0 - 6.4-10.6 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD2 LYS 12 far 0 65 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 59 0 - 6.7-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 84 0 - 7.0-12.9 HB2 LYS 20 - HD3 LYS 90 far 0 53 0 - 7.0-10.7 HB ILE 8 - HG12 ILE 15 far 0 46 0 - 7.3-8.7 HB3 LEU 14 - HD3 LYS 12 far 0 65 0 - 7.3-9.8 HB2 ARG 19 - HD2 LYS 24 far 0 72 0 - 7.6-12.3 HB3 LEU 14 - HD3 LYS 90 far 0 37 0 - 7.7-12.0 HB3 LYS 90 - HD3 LYS 24 far 0 62 0 - 7.8-11.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.0-11.1 HB2 ARG 19 - HD3 LYS 24 far 0 72 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 84 0 - 8.1-12.9 HB2 ARG 19 - HD3 LYS 90 far 0 49 0 - 8.3-13.2 HB3 LYS 90 - HD2 LYS 24 far 0 62 0 - 8.7-11.7 HB3 LEU 14 - HD3 LYS 20 far 0 35 0 - 9.2-13.6 HB VAL 5 - HG12 ILE 15 far 0 67 0 - 9.3-11.3 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.4-12.5 HB3 LEU 14 - HD2 LYS 20 far 0 40 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 77 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 81 0 - 9.5-14.4 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-12.4 HB2 LYS 20 - HD2 LYS 13 far 0 81 0 - 9.6-14.1 HB VAL 5 - HD3 LYS 90 far 0 66 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 441 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 2.83 A): 7 out of 48 assignments used, quality = 1.00: 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 12 + HD2 LYS 12 OK 99 100 100 99 2.4-3.0 3.0=85, 463/3.0=33...(64) HG2 LYS 13 + HD2 LYS 13 OK 89 90 100 99 2.3-3.0 3.0=88, 3.9/487=12...(58) HG2 LYS 13 + HD3 LYS 13 OK 89 90 100 99 2.5-3.0 3.0=88, 3.9/487=12...(58) HG3 ARG 91 + HB3 ARG 91 OK 74 75 100 99 2.2-2.9 2.8=97, ~4016=17...(9) HG2 LYS 20 + HD2 LYS 20 OK 68 68 100 100 2.2-2.9 2.8=97, 848/5.3=12...(76) HG2 LYS 20 + HD3 LYS 20 OK 61 61 100 100 2.3-3.0 2.8=97, 848/5.3=12...(75) HG3 ARG 91 - HD3 LYS 90 poor 16 66 25 - 2.1-10.3 HG2 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 56 0 - 4.8-6.8 HG2 LYS 20 - HD3 LYS 24 far 0 88 0 - 5.3-9.6 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.7-9.5 HG2 LYS 20 - HD2 LYS 24 far 0 88 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 62 0 - 6.0-8.8 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 63 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 70 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 64 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 65 0 - 6.3-8.2 QB ALA 22 - HD2 LYS 24 far 0 89 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 89 0 - 6.5-8.7 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 68 0 - 6.8-11.5 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 7.5-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 88 0 - 8.6-11.0 HG2 LYS 20 - HD3 LYS 13 far 0 92 0 - 8.7-13.0 QB ALA 22 - HG12 ILE 15 far 0 65 0 - 8.8-10.3 HG2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 70 0 - 8.9-12.4 HG12 ILE 7 - HD3 LYS 90 far 0 55 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 66 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 59 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 72 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 98 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 92 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 88 0 - 9.1-10.4 HG LEU 29 - HD3 LYS 20 far 0 62 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 70 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 64 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 61 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 98 0 - 9.5-14.5 HB2 LEU 27 - HD3 LYS 90 far 0 63 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 64 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 91 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 61 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 74 0 - 9.9-11.4 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 50 assignments used, quality = 1.00: * HG3 LYS 12 + HD2 LYS 12 OK 94 100 100 94 2.2-3.0 3.0=53, 464/3.0=22...(45) HG3 LYS 12 + HD3 LYS 12 OK 93 100 100 93 2.5-3.0 3.0=53, 464/3.0=22...(45) HG2 LYS 24 + HD3 LYS 24 OK 82 91 100 91 2.4-3.0 3.0=55, 1091/1.8=9...(51) HG2 LYS 24 + HD2 LYS 24 OK 81 90 100 90 2.3-3.0 3.0=55, 1091/1.8=9...(48) HG3 LYS 90 + HD3 LYS 90 OK 56 64 100 88 2.3-2.9 2.9=55, 2.8/3942=14...(21) HG3 LYS 47 + HD3 LYS 47 OK 48 53 100 91 2.2-3.0 3.0=54, 2175/1.8=9...(65) HG3 LYS 47 + HD2 LYS 47 OK 47 51 100 91 2.4-3.0 3.0=54, 2175/1.8=9...(62) HG2 ARG 19 - HD2 LYS 20 far 4 70 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 63 0 - 3.9-9.2 HD2 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 76 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 74 0 - 4.5-7.6 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 4.7-8.9 HG3 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.3-8.0 HG3 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.3-9.2 HG2 ARG 19 - HG12 ILE 15 far 0 65 0 - 5.4-9.6 HG3 LYS 90 - HD3 LYS 20 far 0 62 0 - 5.5-10.4 HG3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.6-9.4 HG3 LYS 90 - HD2 LYS 20 far 0 70 0 - 6.1-10.5 HD2 LYS 94 - HD3 LYS 90 far 0 44 0 - 6.2-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 63 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 71 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 7.2-11.0 HB3 LEU 29 - HD3 LYS 20 far 0 65 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 99 0 - 7.6-11.8 HG2 ARG 19 - HD2 LYS 12 far 0 99 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 24 far 0 90 0 - 8.0-13.8 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 8.1-9.6 HD3 LYS 94 - HD2 LYS 24 far 0 91 0 - 8.1-12.1 HB2 ARG 30 - HG12 ILE 15 far 0 65 0 - 8.1-8.9 HG2 LYS 24 - HD3 LYS 90 far 0 65 0 - 8.2-11.4 HG2 ARG 19 - HD2 LYS 24 far 0 90 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 89 0 - 8.5-12.3 HB3 GLU 28 - HD2 LYS 47 far 0 47 0 - 8.5-16.0 HG LEU 27 - HD2 LYS 24 far 0 91 0 - 8.6-10.7 HD2 LYS 94 - HD2 LYS 24 far 0 65 0 - 8.7-12.6 HB3 GLU 28 - HD3 LYS 47 far 0 49 0 - 8.7-16.3 HG3 LYS 90 - HD2 LYS 13 far 0 94 0 - 8.8-13.3 HG2 ARG 19 - HD3 LYS 90 far 0 65 0 - 8.8-13.6 HD2 LYS 94 - HD3 LYS 24 far 0 66 0 - 8.9-12.4 HD3 LYS 94 - HD3 LYS 24 far 0 92 0 - 8.9-11.9 HG LEU 27 - HD3 LYS 24 far 0 92 0 - 9.0-10.5 HG3 LYS 90 - HD2 LYS 24 far 0 89 0 - 9.2-12.6 HG2 ARG 19 - HD3 LYS 13 far 0 94 0 - 9.3-13.8 HB3 LEU 29 - HD3 LYS 90 far 0 67 0 - 9.4-13.6 HG2 ARG 19 - HD2 LYS 13 far 0 94 0 - 9.5-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 92 0 - 9.6-13.1 HB3 LEU 29 - HD3 LYS 24 far 0 92 0 - 9.7-12.8 HG3 LYS 90 - HD3 LYS 13 far 0 93 0 - 10.0-13.8 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): 6 out of 30 assignments used, quality = 1.00: * HE2 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.2-3.0 3.0=100 HB2 SER 9 - HG12 ILE 15 far 3 61 5 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 92 0 - 4.3-8.1 HE2 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.5-8.9 HE2 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.7-11.5 HE3 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.1-10.4 HE2 LYS 33 - HD2 LYS 12 far 0 98 0 - 5.2-11.9 HB3 ASP 11 - HD2 LYS 13 far 0 92 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.3-11.7 HE3 LYS 33 - HD2 LYS 12 far 0 98 0 - 5.5-10.9 HE3 LYS 33 - HD3 LYS 12 far 0 98 0 - 5.5-11.8 HE2 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.6-10.6 HB3 ASP 11 - HD2 LYS 12 far 0 98 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 98 0 - 6.1-9.0 HE2 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.1-11.9 HB2 SER 9 - HD2 LYS 12 far 0 96 0 - 6.2-11.5 HB2 PHE 45 - HD3 LYS 47 far 0 58 0 - 6.4-9.8 HB3 ASP 11 - HG12 ILE 15 far 0 63 0 - 6.7-7.9 HB2 PHE 45 - HD2 LYS 47 far 0 56 0 - 6.9-9.4 HB2 SER 9 - HD3 LYS 12 far 0 96 0 - 7.0-11.4 HE2 LYS 12 - HD3 LYS 20 far 0 65 0 - 7.8-13.9 HE2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.4-13.8 HB2 SER 9 - HD3 LYS 13 far 0 89 0 - 8.5-12.2 HB2 SER 9 - HD2 LYS 13 far 0 89 0 - 8.9-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 62 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 446 from cnoeabs.peaks (2.96, 1.70, 29.09 ppm; 3.05 A): 15 out of 68 assignments used, quality = 1.00: HE3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 12 + HD2 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 2.4-3.0 2.9=100 HE2 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.3-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 95 95 100 100 2.2-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.2-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 46 46 100 100 2.3-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 8 51 15 - 2.5-6.2 HE3 LYS 90 - HB3 ARG 91 far 3 53 5 - 3.7-9.0 HB2 SER 9 - HG12 ILE 15 far 0 50 0 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 72 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 44 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 96 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 65 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 100 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.4-12.0 HE3 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 59 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 49 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 79 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 79 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 72 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 84 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 50 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 74 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 65 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 72 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 74 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 65 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 100 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 72 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 100 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 55 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 100 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 64 0 - 6.6-14.0 HB3 ASP 11 - HG12 ILE 15 far 0 46 0 - 6.7-7.9 HE2 LYS 13 - HD2 LYS 20 far 0 72 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 63 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 63 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 63 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 73 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 84 0 - 7.0-11.4 HE3 LYS 90 - HD3 LYS 13 far 0 72 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 64 0 - 7.6-13.3 HE3 LYS 90 - HD2 LYS 13 far 0 72 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 71 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 46 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-13.8 HB2 ASN 10 - HG12 ILE 15 far 0 36 0 - 8.2-9.0 HE3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 57 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 67 0 - 8.6-13.4 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 8.9-12.0 HE2 LYS 13 - HD3 LYS 90 far 0 66 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 67 0 - 9.0-13.9 HB3 ASP 11 - HD3 LYS 90 far 0 46 0 - 9.5-14.3 HB2 ASN 10 - HD2 LYS 13 far 0 57 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 67 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 447 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.53 A): 4 out of 29 assignments used, quality = 0.98: H LYS 13 + HD3 LYS 13 OK 72 96 75 100 2.2-5.2 6177/3.0=52, 6176/3.0=49...(31) H ILE 15 + HG12 ILE 15 OK 68 68 100 100 3.9-4.2 6217/2.9=67, 669/1.8=63...(17) H LYS 13 + HD2 LYS 13 OK 62 96 65 100 2.2-4.8 6177/3.0=52, 6176/3.0=49...(31) H LYS 90 + HD3 LYS 90 OK 45 46 100 99 2.8-4.2 3.0/3918=42, 7419/2.9=41...(20) H GLU 17 - HD3 LYS 20 poor 12 61 40 51 3.4-7.7 6250/12058=11, ~894=6...(18) H GLU 17 - HD2 LYS 20 poor 11 68 30 52 3.5-6.7 6250/12058=13...(18) H LYS 90 - HB3 ARG 91 far 5 53 10 - 4.4-6.3 H GLU 17 - HD2 LYS 13 far 5 92 5 - 4.2-8.0 H LYS 13 - HD3 LYS 12 far 0 100 0 - 4.5-6.6 ! H LYS 13 - HD2 LYS 12 far 0 100 0 - 4.9-6.7 H GLU 17 - HD3 LYS 13 far 0 92 0 - 4.9-8.1 H ILE 15 - HD2 LYS 12 far 0 100 0 - 5.3-8.2 H ILE 15 - HD3 LYS 12 far 0 100 0 - 5.3-8.0 H GLU 17 - HD3 LYS 90 far 0 63 0 - 5.4-9.6 H ILE 15 - HD2 LYS 13 far 0 96 0 - 5.8-7.8 H ILE 15 - HD3 LYS 13 far 0 96 0 - 6.0-8.0 H LYS 13 - HG12 ILE 15 far 0 68 0 - 6.7-7.5 H GLU 17 - HD2 LYS 12 far 0 98 0 - 6.9-10.8 H GLU 17 - HD3 LYS 12 far 0 98 0 - 7.0-10.7 H GLU 17 - HG12 ILE 15 far 0 64 0 - 7.0-7.5 H ILE 15 - HD3 LYS 20 far 0 65 0 - 7.6-11.2 H ILE 15 - HD2 LYS 20 far 0 73 0 - 7.7-10.6 H ILE 15 - HD3 LYS 90 far 0 67 0 - 7.8-12.5 H LYS 90 - HD3 LYS 20 far 0 44 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 50 0 - 8.1-11.6 H LYS 13 - HD3 LYS 20 far 0 65 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 73 0 - 8.9-11.7 H LYS 90 - HD2 LYS 13 far 0 72 0 - 9.5-14.3 H LYS 13 - HD3 LYS 90 far 0 67 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 448 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.57 A): 4 out of 9 assignments used, quality = 1.00: * H LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.0-5.1 6155/3.0=96, 415/3.0=91...(20) H LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.5-5.3 6155/3.0=96, 415/3.0=91...(20) H LYS 12 + HD3 LYS 13 OK 48 96 70 71 4.0-7.9 6163/6.0=59, 6185/560=10...(6) H LYS 12 + HD2 LYS 13 OK 34 96 50 70 4.2-7.5 6163/6.0=59, 6185/560=9...(5) H LYS 12 - HG12 ILE 15 poor 17 68 25 - 5.7-6.9 H GLN 50 - HD2 LYS 47 far 0 66 0 - 7.7-11.4 H GLN 50 - HD3 LYS 47 far 0 68 0 - 8.5-11.0 H VAL 58 - HG12 ILE 15 far 0 57 0 - 9.5-11.5 H ASN 51 - HD2 LYS 47 far 0 51 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 449 from cnoeabs.peaks (3.85, 1.70, 29.09 ppm; 4.12 A): 4 out of 24 assignments used, quality = 1.00: * HA LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-4.7 384/3.0=75, 385/3.0=56...(45) HA LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.3-4.8 384/3.0=75, 385/3.0=56...(44) HA LYS 12 + HG12 ILE 15 OK 68 68 100 100 3.6-4.9 8446/2.1=83, 644/2.9=71...(13) HA ARG 91 + HB3 ARG 91 OK 47 47 100 100 2.4-3.0 3.0=100 HA ARG 91 - HD3 LYS 90 poor 20 41 50 97 2.9-7.4 ~7437=43, ~3978=34...(22) HA LYS 12 - HD2 LYS 13 far 10 96 10 - 5.0-8.1 HA LYS 12 - HD3 LYS 13 far 0 96 0 - 5.2-8.3 HA GLU 43 - HD3 LYS 47 far 0 53 0 - 6.0-8.9 HA GLU 43 - HD2 LYS 47 far 0 51 0 - 6.1-9.3 HB3 SER 49 - HD2 LYS 47 far 0 72 0 - 6.6-10.2 HA ALA 22 - HD2 LYS 24 far 0 69 0 - 6.7-9.1 HA ALA 22 - HD3 LYS 24 far 0 69 0 - 7.1-8.9 HA LYS 94 - HB3 ARG 91 far 0 73 0 - 7.2-8.5 HA ALA 22 - HD3 LYS 90 far 0 47 0 - 7.2-11.3 HA LYS 94 - HD3 LYS 90 far 0 64 0 - 7.6-11.2 HA LYS 94 - HD3 LYS 24 far 0 89 0 - 7.6-10.3 HB3 SER 49 - HD3 LYS 47 far 0 74 0 - 7.9-9.5 HA LYS 94 - HD2 LYS 24 far 0 88 0 - 8.2-9.9 HA LYS 40 - HD2 LYS 47 far 0 69 0 - 8.4-12.7 HA ALA 22 - HD3 LYS 20 far 0 45 0 - 8.4-11.2 HA ALA 22 - HD2 LYS 20 far 0 51 0 - 8.6-11.0 HA LYS 12 - HD2 LYS 20 far 0 73 0 - 8.7-11.9 HA LYS 12 - HD3 LYS 20 far 0 65 0 - 8.8-11.7 HA LYS 40 - HD3 LYS 47 far 0 71 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 450 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.05 A): 7 out of 49 assignments used, quality = 1.00: * HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.7 3.6=62, 473/3.0=15...(74) HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.5-3.9 3.6=62, 473/3.0=14...(74) HB2 LYS 12 + HD2 LYS 12 OK 94 100 95 99 2.1-4.0 3.6=62, 473/3.0=15...(74) HB3 LYS 12 + HD3 LYS 12 OK 85 100 85 99 2.1-4.2 3.6=62, 3.0/387=15...(74) HB2 LYS 20 + HD2 LYS 20 OK 43 55 80 98 2.4-4.1 3.5=65, ~848=12...(60) HB2 LYS 20 + HD3 LYS 20 OK 38 49 80 98 2.3-4.2 3.5=65, ~848=12...(60) HB3 LYS 90 + HD3 LYS 90 OK 31 44 70 99 2.2-4.1 3.6=60, 3.0/3918=30...(47) HB2 LYS 12 - HD3 LYS 13 far 14 96 15 - 3.5-7.6 HB2 LYS 20 - HD3 LYS 24 far 11 74 15 - 2.9-7.7 HB2 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.7-7.8 HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.0-7.0 HB3 LYS 12 - HD3 LYS 13 lone 5 96 30 19 3.4-7.1 4.2/6178=12, 4.0/437=3 HB2 ARG 19 - HD3 LYS 20 far 5 45 10 - 3.3-7.4 HB2 LYS 20 - HD2 LYS 24 far 4 73 5 - 3.7-7.3 HB2 ARG 19 - HD2 LYS 20 far 3 51 5 - 3.3-7.2 HB3 LYS 90 - HB3 ARG 91 far 0 52 0 - 4.5-7.3 HB3 LEU 14 - HG12 ILE 15 far 0 34 0 - 5.1-6.7 HB3 LYS 90 - HD2 LYS 20 far 0 49 0 - 5.5-10.7 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.8-7.3 HG2 ARG 46 - HD2 LYS 47 far 0 36 0 - 5.9-9.9 HB2 ARG 19 - HG12 ILE 15 far 0 48 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 55 0 - 6.2-8.6 HB3 LYS 90 - HD3 LYS 20 far 0 43 0 - 6.4-10.6 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD2 LYS 12 far 0 61 0 - 6.6-10.3 HG2 ARG 46 - HD3 LYS 47 far 0 37 0 - 6.7-9.3 HB3 LEU 14 - HD3 LYS 13 far 0 55 0 - 6.7-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 81 0 - 7.0-12.9 HB2 LYS 20 - HD3 LYS 90 far 0 51 0 - 7.0-10.7 HB ILE 8 - HG12 ILE 15 far 0 44 0 - 7.3-8.7 HB3 LEU 14 - HD3 LYS 12 far 0 61 0 - 7.3-9.8 HB2 ARG 19 - HD2 LYS 24 far 0 69 0 - 7.6-12.3 HB3 LEU 14 - HD3 LYS 90 far 0 34 0 - 7.7-12.0 HB3 LYS 90 - HD3 LYS 24 far 0 66 0 - 7.8-11.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.0-11.1 HB2 ARG 19 - HD3 LYS 24 far 0 69 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 81 0 - 8.1-12.9 HB2 ARG 19 - HD3 LYS 90 far 0 47 0 - 8.3-13.2 HB3 LYS 90 - HD2 LYS 24 far 0 65 0 - 8.7-11.7 HB3 LEU 14 - HD3 LYS 20 far 0 33 0 - 9.2-13.6 HB VAL 5 - HG12 ILE 15 far 0 68 0 - 9.3-11.3 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.4-12.5 HB3 LEU 14 - HD2 LYS 20 far 0 37 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 73 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.5-14.4 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-12.4 HB2 LYS 20 - HD2 LYS 13 far 0 78 0 - 9.6-14.1 HB VAL 5 - HD3 LYS 90 far 0 67 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 451 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.05 A): 7 out of 49 assignments used, quality = 1.00: HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.7 3.6=62, 473/3.0=15...(74) HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.5-3.9 3.6=62, 473/3.0=14...(74) HB2 LYS 12 + HD2 LYS 12 OK 94 100 95 99 2.1-4.0 3.6=62, 473/3.0=15...(74) * HB3 LYS 12 + HD3 LYS 12 OK 85 100 85 99 2.1-4.2 3.6=62, 3.0/387=15...(74) HB2 LYS 20 + HD2 LYS 20 OK 45 58 80 98 2.4-4.1 3.5=65, ~848=12...(60) HB2 LYS 20 + HD3 LYS 20 OK 40 51 80 98 2.3-4.2 3.5=65, ~848=12...(60) HB3 LYS 90 + HD3 LYS 90 OK 29 42 70 99 2.2-4.1 3.6=60, 3.0/3918=30...(47) HB2 LYS 12 - HD3 LYS 13 far 14 96 15 - 3.5-7.6 HB2 LYS 20 - HD3 LYS 24 far 11 77 15 - 2.9-7.7 HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.0-7.0 HB2 LYS 12 - HD2 LYS 13 far 10 96 10 - 3.7-7.8 HB3 LYS 12 - HD3 LYS 13 lone 5 96 30 19 3.4-7.1 4.2/6178=12, 4.0/437=3 HB2 ARG 19 - HD3 LYS 20 far 5 48 10 - 3.3-7.4 HB2 LYS 20 - HD2 LYS 24 far 4 76 5 - 3.7-7.3 HB2 ARG 19 - HD2 LYS 20 far 3 54 5 - 3.3-7.2 HB3 LYS 90 - HB3 ARG 91 far 0 49 0 - 4.5-7.3 HB3 LEU 14 - HG12 ILE 15 far 0 37 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 34 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 36 0 - 5.3-9.1 HB3 LYS 90 - HD2 LYS 20 far 0 46 0 - 5.5-10.7 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.8-7.3 HB2 ARG 19 - HG12 ILE 15 far 0 50 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 59 0 - 6.2-8.6 HB3 LYS 90 - HD3 LYS 20 far 0 40 0 - 6.4-10.6 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD2 LYS 12 far 0 65 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 59 0 - 6.7-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 84 0 - 7.0-12.9 HB2 LYS 20 - HD3 LYS 90 far 0 53 0 - 7.0-10.7 HB ILE 8 - HG12 ILE 15 far 0 46 0 - 7.3-8.7 HB3 LEU 14 - HD3 LYS 12 far 0 65 0 - 7.3-9.8 HB2 ARG 19 - HD2 LYS 24 far 0 72 0 - 7.6-12.3 HB3 LEU 14 - HD3 LYS 90 far 0 37 0 - 7.7-12.0 HB3 LYS 90 - HD3 LYS 24 far 0 62 0 - 7.8-11.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.0-11.1 HB2 ARG 19 - HD3 LYS 24 far 0 72 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 84 0 - 8.1-12.9 HB2 ARG 19 - HD3 LYS 90 far 0 49 0 - 8.3-13.2 HB3 LYS 90 - HD2 LYS 24 far 0 62 0 - 8.7-11.7 HB3 LEU 14 - HD3 LYS 20 far 0 35 0 - 9.2-13.6 HB VAL 5 - HG12 ILE 15 far 0 67 0 - 9.3-11.3 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.4-12.5 HB3 LEU 14 - HD2 LYS 20 far 0 40 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 77 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 81 0 - 9.5-14.4 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-12.4 HB2 LYS 20 - HD2 LYS 13 far 0 81 0 - 9.6-14.1 HB VAL 5 - HD3 LYS 90 far 0 66 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 2.83 A): 7 out of 48 assignments used, quality = 1.00: * 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 12 + HD2 LYS 12 OK 99 100 100 99 2.4-3.0 3.0=85, 463/3.0=33...(64) HG2 LYS 13 + HD2 LYS 13 OK 89 90 100 99 2.3-3.0 3.0=88, 3.9/487=12...(58) HG2 LYS 13 + HD3 LYS 13 OK 89 90 100 99 2.5-3.0 3.0=88, 3.9/487=12...(58) HG3 ARG 91 + HB3 ARG 91 OK 74 75 100 99 2.2-2.9 2.8=97, ~4016=17...(9) HG2 LYS 20 + HD2 LYS 20 OK 68 68 100 100 2.2-2.9 2.8=97, 848/5.3=12...(76) HG2 LYS 20 + HD3 LYS 20 OK 61 61 100 100 2.3-3.0 2.8=97, 848/5.3=12...(75) HG3 ARG 91 - HD3 LYS 90 poor 16 66 25 - 2.1-10.3 HG2 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 56 0 - 4.8-6.8 HG2 LYS 20 - HD3 LYS 24 far 0 88 0 - 5.3-9.6 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.7-9.5 HG2 LYS 20 - HD2 LYS 24 far 0 88 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 62 0 - 6.0-8.8 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 63 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 70 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 64 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 65 0 - 6.3-8.2 QB ALA 22 - HD2 LYS 24 far 0 89 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 89 0 - 6.5-8.7 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 68 0 - 6.8-11.5 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 7.5-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 88 0 - 8.6-11.0 HG2 LYS 20 - HD3 LYS 13 far 0 92 0 - 8.7-13.0 QB ALA 22 - HG12 ILE 15 far 0 65 0 - 8.8-10.3 HG2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 70 0 - 8.9-12.4 HG12 ILE 7 - HD3 LYS 90 far 0 55 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 66 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 59 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 72 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 98 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 92 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 88 0 - 9.1-10.4 HG LEU 29 - HD3 LYS 20 far 0 62 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 70 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 64 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 61 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 98 0 - 9.5-14.5 HB2 LEU 27 - HD3 LYS 90 far 0 63 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 64 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 91 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 61 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 74 0 - 9.9-11.4 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 50 assignments used, quality = 1.00: HG3 LYS 12 + HD2 LYS 12 OK 94 100 100 94 2.2-3.0 3.0=53, 464/3.0=22...(45) * HG3 LYS 12 + HD3 LYS 12 OK 93 100 100 93 2.5-3.0 3.0=53, 464/3.0=22...(45) HG2 LYS 24 + HD3 LYS 24 OK 82 91 100 91 2.4-3.0 3.0=55, 1091/1.8=9...(51) HG2 LYS 24 + HD2 LYS 24 OK 81 90 100 90 2.3-3.0 3.0=55, 1091/1.8=9...(48) HG3 LYS 90 + HD3 LYS 90 OK 56 64 100 88 2.3-2.9 2.9=55, 2.8/3942=14...(21) HG3 LYS 47 + HD3 LYS 47 OK 48 53 100 91 2.2-3.0 3.0=54, 2175/1.8=9...(65) HG3 LYS 47 + HD2 LYS 47 OK 47 51 100 91 2.4-3.0 3.0=54, 2175/1.8=9...(62) HG2 ARG 19 - HD2 LYS 20 far 4 70 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 63 0 - 3.9-9.2 HD2 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 76 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 74 0 - 4.5-7.6 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 4.7-8.9 HG3 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.3-8.0 HG3 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.3-9.2 HG2 ARG 19 - HG12 ILE 15 far 0 65 0 - 5.4-9.6 HG3 LYS 90 - HD3 LYS 20 far 0 62 0 - 5.5-10.4 HG3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.6-9.4 HG3 LYS 90 - HD2 LYS 20 far 0 70 0 - 6.1-10.5 HD2 LYS 94 - HD3 LYS 90 far 0 44 0 - 6.2-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 63 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 71 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 7.2-11.0 HB3 LEU 29 - HD3 LYS 20 far 0 65 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 99 0 - 7.6-11.8 HG2 ARG 19 - HD2 LYS 12 far 0 99 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 24 far 0 90 0 - 8.0-13.8 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 8.1-9.6 HD3 LYS 94 - HD2 LYS 24 far 0 91 0 - 8.1-12.1 HB2 ARG 30 - HG12 ILE 15 far 0 65 0 - 8.1-8.9 HG2 LYS 24 - HD3 LYS 90 far 0 65 0 - 8.2-11.4 HG2 ARG 19 - HD2 LYS 24 far 0 90 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 89 0 - 8.5-12.3 HB3 GLU 28 - HD2 LYS 47 far 0 47 0 - 8.5-16.0 HG LEU 27 - HD2 LYS 24 far 0 91 0 - 8.6-10.7 HD2 LYS 94 - HD2 LYS 24 far 0 65 0 - 8.7-12.6 HB3 GLU 28 - HD3 LYS 47 far 0 49 0 - 8.7-16.3 HG3 LYS 90 - HD2 LYS 13 far 0 94 0 - 8.8-13.3 HG2 ARG 19 - HD3 LYS 90 far 0 65 0 - 8.8-13.6 HD2 LYS 94 - HD3 LYS 24 far 0 66 0 - 8.9-12.4 HD3 LYS 94 - HD3 LYS 24 far 0 92 0 - 8.9-11.9 HG LEU 27 - HD3 LYS 24 far 0 92 0 - 9.0-10.5 HG3 LYS 90 - HD2 LYS 24 far 0 89 0 - 9.2-12.6 HG2 ARG 19 - HD3 LYS 13 far 0 94 0 - 9.3-13.8 HB3 LEU 29 - HD3 LYS 90 far 0 67 0 - 9.4-13.6 HG2 ARG 19 - HD2 LYS 13 far 0 94 0 - 9.5-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 92 0 - 9.6-13.1 HB3 LEU 29 - HD3 LYS 24 far 0 92 0 - 9.7-12.8 HG3 LYS 90 - HD3 LYS 13 far 0 93 0 - 10.0-13.8 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): 6 out of 30 assignments used, quality = 1.00: HE2 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.4-3.0 3.0=100 * HE2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.2-3.0 3.0=100 HB2 SER 9 - HG12 ILE 15 far 3 61 5 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 92 0 - 4.3-8.1 HE2 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.5-8.9 HE2 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.7-11.5 HE3 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.1-10.4 HE2 LYS 33 - HD2 LYS 12 far 0 98 0 - 5.2-11.9 HB3 ASP 11 - HD2 LYS 13 far 0 92 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.3-11.7 HE3 LYS 33 - HD2 LYS 12 far 0 98 0 - 5.5-10.9 HE3 LYS 33 - HD3 LYS 12 far 0 98 0 - 5.5-11.8 HE2 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.6-10.6 HB3 ASP 11 - HD2 LYS 12 far 0 98 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 98 0 - 6.1-9.0 HE2 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.1-11.9 HB2 SER 9 - HD2 LYS 12 far 0 96 0 - 6.2-11.5 HB2 PHE 45 - HD3 LYS 47 far 0 58 0 - 6.4-9.8 HB3 ASP 11 - HG12 ILE 15 far 0 63 0 - 6.7-7.9 HB2 PHE 45 - HD2 LYS 47 far 0 56 0 - 6.9-9.4 HB2 SER 9 - HD3 LYS 12 far 0 96 0 - 7.0-11.4 HE2 LYS 12 - HD3 LYS 20 far 0 65 0 - 7.8-13.9 HE2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.4-13.8 HB2 SER 9 - HD3 LYS 13 far 0 89 0 - 8.5-12.2 HB2 SER 9 - HD2 LYS 13 far 0 89 0 - 8.9-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 62 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 457 from cnoeabs.peaks (2.96, 1.70, 29.09 ppm; 3.05 A): 15 out of 68 assignments used, quality = 1.00: * HE3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD2 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 2.4-3.0 2.9=100 HE2 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.3-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 95 95 100 100 2.2-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.2-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 46 46 100 100 2.3-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 8 51 15 - 2.5-6.2 HE3 LYS 90 - HB3 ARG 91 far 3 53 5 - 3.7-9.0 HB2 SER 9 - HG12 ILE 15 far 0 50 0 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 72 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 44 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 96 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 65 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 100 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.4-12.0 HE3 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 59 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 49 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 79 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 79 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 72 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 84 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 50 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 74 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 65 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 72 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 74 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 65 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 100 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 72 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 100 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 55 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 100 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 64 0 - 6.6-14.0 HB3 ASP 11 - HG12 ILE 15 far 0 46 0 - 6.7-7.9 HE2 LYS 13 - HD2 LYS 20 far 0 72 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 63 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 63 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 63 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 73 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 84 0 - 7.0-11.4 HE3 LYS 90 - HD3 LYS 13 far 0 72 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 64 0 - 7.6-13.3 HE3 LYS 90 - HD2 LYS 13 far 0 72 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 71 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 46 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-13.8 HB2 ASN 10 - HG12 ILE 15 far 0 36 0 - 8.2-9.0 HE3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 57 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 67 0 - 8.6-13.4 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 8.9-12.0 HE2 LYS 13 - HD3 LYS 90 far 0 66 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 67 0 - 9.0-13.9 HB3 ASP 11 - HD3 LYS 90 far 0 46 0 - 9.5-14.3 HB2 ASN 10 - HD2 LYS 13 far 0 57 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 67 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 458 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.53 A): 4 out of 29 assignments used, quality = 0.98: H LYS 13 + HD3 LYS 13 OK 72 96 75 100 2.2-5.2 6177/3.0=52, 6176/3.0=49...(31) H ILE 15 + HG12 ILE 15 OK 68 68 100 100 3.9-4.2 6217/2.9=67, 669/1.8=63...(17) H LYS 13 + HD2 LYS 13 OK 62 96 65 100 2.2-4.8 6177/3.0=52, 6176/3.0=49...(31) H LYS 90 + HD3 LYS 90 OK 45 46 100 99 2.8-4.2 3.0/3918=42, 7419/2.9=41...(20) H GLU 17 - HD3 LYS 20 poor 12 61 40 51 3.4-7.7 6250/12058=11, ~894=6...(18) H GLU 17 - HD2 LYS 20 poor 11 68 30 52 3.5-6.7 6250/12058=13...(18) H LYS 90 - HB3 ARG 91 far 5 53 10 - 4.4-6.3 H GLU 17 - HD2 LYS 13 far 5 92 5 - 4.2-8.0 ! H LYS 13 - HD3 LYS 12 far 0 100 0 - 4.5-6.6 H LYS 13 - HD2 LYS 12 far 0 100 0 - 4.9-6.7 H GLU 17 - HD3 LYS 13 far 0 92 0 - 4.9-8.1 H ILE 15 - HD2 LYS 12 far 0 100 0 - 5.3-8.2 H ILE 15 - HD3 LYS 12 far 0 100 0 - 5.3-8.0 H GLU 17 - HD3 LYS 90 far 0 63 0 - 5.4-9.6 H ILE 15 - HD2 LYS 13 far 0 96 0 - 5.8-7.8 H ILE 15 - HD3 LYS 13 far 0 96 0 - 6.0-8.0 H LYS 13 - HG12 ILE 15 far 0 68 0 - 6.7-7.5 H GLU 17 - HD2 LYS 12 far 0 98 0 - 6.9-10.8 H GLU 17 - HD3 LYS 12 far 0 98 0 - 7.0-10.7 H GLU 17 - HG12 ILE 15 far 0 64 0 - 7.0-7.5 H ILE 15 - HD3 LYS 20 far 0 65 0 - 7.6-11.2 H ILE 15 - HD2 LYS 20 far 0 73 0 - 7.7-10.6 H ILE 15 - HD3 LYS 90 far 0 67 0 - 7.8-12.5 H LYS 90 - HD3 LYS 20 far 0 44 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 50 0 - 8.1-11.6 H LYS 13 - HD3 LYS 20 far 0 65 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 73 0 - 8.9-11.7 H LYS 90 - HD2 LYS 13 far 0 72 0 - 9.5-14.3 H LYS 13 - HD3 LYS 90 far 0 67 0 - 9.9-15.1 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 5 assignments used, quality = 1.00: * HA LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.8-4.9 384/463=83, 3.7/464=77...(35) HA LYS 12 - HE3 LYS 33 far 0 95 0 - 6.2-11.3 HA LYS 12 - HE2 LYS 33 far 0 95 0 - 6.4-12.1 HA GLU 35 - HE2 LYS 33 far 0 65 0 - 9.4-12.4 HA GLU 35 - HE3 LYS 33 far 0 65 0 - 9.9-12.2 Violated in 1 structures by 0.00 A. Peak 461 from cnoeabs.peaks (1.86, 3.01, 41.80 ppm; 4.58 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-4.8 4.8=86, 3.0/463=81...(72) HB3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.4-4.9 4.8=86, 3.0/463=81...(72) HB2 ARG 19 - HE2 LYS 12 far 0 81 0 - 7.4-12.8 HB3 LEU 14 - HE2 LYS 12 far 0 61 0 - 7.5-10.3 HB2 LYS 12 - HE3 LYS 33 far 0 95 0 - 7.6-12.5 HB2 LYS 12 - HE2 LYS 33 far 0 95 0 - 8.1-13.4 HB ILE 8 - HE3 LYS 33 far 0 66 0 - 8.1-11.6 HB3 LYS 12 - HE3 LYS 33 far 0 94 0 - 8.2-12.8 HB3 LYS 12 - HE2 LYS 33 far 0 94 0 - 8.3-13.9 HB ILE 8 - HE2 LYS 33 far 0 66 0 - 8.5-11.9 HB3 LEU 14 - HE2 LYS 33 far 0 54 0 - 9.2-14.4 HB3 LEU 14 - HE3 LYS 33 far 0 54 0 - 9.4-13.9 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 12 assignments used, quality = 1.00: * HB3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.4-4.9 4.8=86, 3.0/463=81...(72) HB2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-4.8 4.8=86, 3.0/463=81...(72) HB2 ARG 19 - HE2 LYS 12 far 0 84 0 - 7.4-12.8 HB3 LEU 14 - HE2 LYS 12 far 0 65 0 - 7.5-10.3 HB2 LYS 12 - HE3 LYS 33 far 0 94 0 - 7.6-12.5 HB2 LYS 12 - HE2 LYS 33 far 0 94 0 - 8.1-13.4 HB ILE 8 - HE3 LYS 33 far 0 70 0 - 8.1-11.6 HB3 LYS 12 - HE3 LYS 33 far 0 95 0 - 8.2-12.8 HB3 LYS 12 - HE2 LYS 33 far 0 95 0 - 8.3-13.9 HB ILE 8 - HE2 LYS 33 far 0 70 0 - 8.5-11.9 HB3 LEU 14 - HE2 LYS 33 far 0 57 0 - 9.2-14.4 HB3 LEU 14 - HE3 LYS 33 far 0 57 0 - 9.4-13.9 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 13 assignments used, quality = 1.00: * HG2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.2-3.6 4.0=78, 1.8/464=73...(85) HG2 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.3-10.1 HG2 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.5-11.2 HG2 LYS 13 - HE2 LYS 12 far 0 96 0 - 7.2-11.0 HG2 LYS 20 - HE2 LYS 12 far 0 98 0 - 9.1-14.8 HD3 LYS 40 - HE2 LYS 33 far 0 83 0 - 9.1-13.7 HD2 LYS 40 - HE3 LYS 33 far 0 84 0 - 9.2-14.7 HG12 ILE 7 - HE3 LYS 33 far 0 82 0 - 9.4-14.0 HG12 ILE 7 - HE2 LYS 33 far 0 82 0 - 9.5-13.8 HG LEU 38 - HE2 LYS 33 far 0 89 0 - 9.6-14.5 HD3 LYS 40 - HE3 LYS 33 far 0 83 0 - 9.6-13.1 HG12 ILE 7 - HE2 LYS 12 far 0 91 0 - 9.9-14.0 HD2 LYS 40 - HE2 LYS 33 far 0 84 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 464 from cnoeabs.peaks (1.59, 3.01, 41.80 ppm; 3.66 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.2-3.6 4.0=79, 1.8/463=74...(51) HG3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.1-12.3 HG3 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.4-11.1 HG2 ARG 19 - HE2 LYS 12 far 0 99 0 - 7.0-12.4 HB2 ARG 30 - HE3 LYS 33 far 0 92 0 - 8.5-12.0 HB2 ARG 30 - HE2 LYS 33 far 0 92 0 - 9.1-11.6 HG2 ARG 19 - HE3 LYS 33 far 0 92 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 465 from cnoeabs.peaks (1.70, 3.01, 41.80 ppm; 2.82 A): 6 out of 22 assignments used, quality = 1.00: * HD2 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.4-3.0 3.0=85, 3.0/463=33...(52) HD3 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.4-3.0 3.0=85, 3.0/463=33...(52) HD2 LYS 33 + HE2 LYS 33 OK 73 78 100 94 2.5-3.0 3.0=87, 1472/3.9=10...(18) HD2 LYS 33 + HE3 LYS 33 OK 73 78 100 94 2.2-3.0 3.0=87, 1472/3.9=10...(17) HD3 LYS 33 + HE2 LYS 33 OK 73 78 100 94 2.3-2.8 3.0=87, 1483/3.9=10...(17) HD3 LYS 33 + HE3 LYS 33 OK 73 78 100 94 2.5-3.0 3.0=87, 1483/3.9=10...(16) HB ILE 15 - HE2 LYS 12 far 4 79 5 - 3.4-7.2 HG12 ILE 15 - HE2 LYS 12 far 0 100 0 - 4.5-8.9 HD2 LYS 13 - HE2 LYS 12 far 0 100 0 - 4.7-11.5 HG12 ILE 15 - HE3 LYS 33 far 0 93 0 - 5.1-10.4 HD2 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.2-11.9 HD3 LYS 13 - HE2 LYS 12 far 0 100 0 - 5.3-11.7 HD2 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.5-10.9 HD3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.5-11.8 HG12 ILE 15 - HE2 LYS 33 far 0 93 0 - 5.6-10.6 HD2 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.1-12.4 HD3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.1-11.9 HB ILE 15 - HE3 LYS 33 far 0 70 0 - 6.5-11.9 HD3 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.5-12.8 HB ILE 15 - HE2 LYS 33 far 0 70 0 - 6.9-12.4 HD3 LYS 20 - HE2 LYS 12 far 0 84 0 - 7.8-13.9 HD2 LYS 20 - HE2 LYS 12 far 0 88 0 - 8.4-13.8 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 22 assignments used, quality = 1.00: HD2 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.4-3.0 3.0=85, 3.0/463=33...(52) * HD3 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.4-3.0 3.0=85, 3.0/463=33...(52) HD2 LYS 33 + HE2 LYS 33 OK 73 78 100 94 2.5-3.0 3.0=87, 1472/3.9=10...(18) HD2 LYS 33 + HE3 LYS 33 OK 73 78 100 94 2.2-3.0 3.0=87, 1472/3.9=10...(17) HD3 LYS 33 + HE2 LYS 33 OK 73 78 100 94 2.3-2.8 3.0=87, 1483/3.9=10...(17) HD3 LYS 33 + HE3 LYS 33 OK 73 78 100 94 2.5-3.0 3.0=87, 1483/3.9=10...(16) HB ILE 15 - HE2 LYS 12 far 4 79 5 - 3.4-7.2 HG12 ILE 15 - HE2 LYS 12 far 0 100 0 - 4.5-8.9 HD2 LYS 13 - HE2 LYS 12 far 0 100 0 - 4.7-11.5 HG12 ILE 15 - HE3 LYS 33 far 0 93 0 - 5.1-10.4 HD2 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.2-11.9 HD3 LYS 13 - HE2 LYS 12 far 0 100 0 - 5.3-11.7 HD2 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.5-10.9 HD3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.5-11.8 HG12 ILE 15 - HE2 LYS 33 far 0 93 0 - 5.6-10.6 HD2 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.1-12.4 HD3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.1-11.9 HB ILE 15 - HE3 LYS 33 far 0 70 0 - 6.5-11.9 HD3 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.5-12.8 HB ILE 15 - HE2 LYS 33 far 0 70 0 - 6.9-12.4 HD3 LYS 20 - HE2 LYS 12 far 0 84 0 - 7.8-13.9 HD2 LYS 20 - HE2 LYS 12 far 0 88 0 - 8.4-13.8 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 14 assignments used, quality = 1.00: * HE3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 13 - HE2 LYS 12 far 0 100 0 - 4.7-13.2 HE3 LYS 13 - HE2 LYS 12 far 0 100 0 - 5.3-12.7 HE3 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.5-12.5 HE3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.7-12.7 HB2 SER 9 - HE2 LYS 33 far 0 75 0 - 6.7-12.1 HB2 ASN 10 - HE3 LYS 33 far 0 55 0 - 6.8-10.3 HB2 ASN 10 - HE2 LYS 33 far 0 55 0 - 6.8-11.3 HB2 SER 9 - HE2 LYS 12 far 0 84 0 - 7.2-11.1 HB2 SER 9 - HE3 LYS 33 far 0 75 0 - 7.4-11.8 HB3 ASP 11 - HE2 LYS 12 far 0 79 0 - 7.6-9.4 HB2 ASN 10 - HE2 LYS 12 far 0 63 0 - 7.6-11.1 HB3 ASP 11 - HE2 LYS 33 far 0 70 0 - 9.1-14.9 HB3 ASP 11 - HE3 LYS 33 far 0 70 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 472 from cnoeabs.peaks (1.86, 2.96, 41.80 ppm; 3.91 A): 3 out of 35 assignments used, quality = 0.99: * HB2 LYS 12 + HE3 LYS 12 OK 90 100 90 100 2.1-5.5 4.8=53, ~463=40, ~423=31...(68) HB3 LYS 12 + HE3 LYS 12 OK 80 100 80 100 2.4-5.4 4.8=53, ~463=40, ~423=31...(68) HB3 LYS 90 + HE3 LYS 90 OK 31 39 80 99 3.6-5.3 4.8=53, 3941/3.0=25...(31) HB2 LYS 20 - HE3 LYS 24 poor 17 85 20 - 2.8-9.2 HB2 LYS 20 - HE2 LYS 24 poor 17 85 20 - 3.3-9.0 HB3 LYS 12 - HE2 LYS 13 far 15 100 15 - 4.2-8.6 HB3 LYS 12 - HE3 LYS 13 poor 5 99 25 20 4.1-8.1 4.2/6181=10, 402=3...(5) HB2 LYS 12 - HE3 LYS 13 far 0 99 0 - 4.8-9.0 HG2 ARG 46 - HE3 LYS 47 far 0 56 0 - 5.0-10.5 HB2 LYS 12 - HE2 LYS 13 far 0 100 0 - 5.4-9.2 HB3 LEU 14 - HE3 LYS 90 far 0 30 0 - 5.7-11.8 HG2 ARG 46 - HE2 LYS 47 far 0 56 0 - 5.8-10.6 HB3 LYS 39 - HE2 LYS 73 far 0 93 0 - 5.8-12.1 HB3 LYS 39 - HE3 LYS 73 far 0 85 0 - 6.8-12.3 HB2 ARG 19 - HE3 LYS 12 far 0 81 0 - 7.1-13.4 HB2 LYS 20 - HE3 LYS 90 far 0 45 0 - 7.2-11.1 HB3 LEU 14 - HE3 LYS 13 far 0 59 0 - 7.7-9.9 HB3 LEU 14 - HE2 LYS 13 far 0 60 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 80 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 80 0 - 7.8-13.7 HB3 LYS 90 - HE3 LYS 24 far 0 77 0 - 7.9-12.5 HB2 ARG 19 - HE3 LYS 90 far 0 42 0 - 8.3-14.1 HB3 LYS 90 - HE2 LYS 24 far 0 77 0 - 8.5-13.5 HB2 LYS 68 - HE3 LYS 73 far 0 65 0 - 8.6-13.6 HB3 LEU 14 - HE3 LYS 12 far 0 61 0 - 8.8-11.0 HB3 LYS 68 - HE3 LYS 73 far 0 83 0 - 8.9-14.2 HB3 LYS 66 - HE2 LYS 73 far 0 93 0 - 9.0-13.0 HG LEU 42 - HE2 LYS 73 far 0 63 0 - 9.2-14.5 HG2 ARG 46 - HE2 LYS 73 far 0 51 0 - 9.4-16.1 HB3 LYS 66 - HE3 LYS 73 far 0 85 0 - 9.5-12.9 HB2 LYS 20 - HE2 LYS 13 far 0 84 0 - 9.5-16.1 HB3 LYS 68 - HE2 LYS 73 far 0 92 0 - 9.5-12.8 HB2 LYS 68 - HE2 LYS 73 far 0 73 0 - 9.8-12.3 HG2 ARG 46 - HE3 LYS 73 far 0 44 0 - 9.9-16.4 HB2 LYS 12 - HE3 LYS 90 far 0 60 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (1.87, 2.96, 41.80 ppm; 3.91 A): 3 out of 33 assignments used, quality = 0.99: HB2 LYS 12 + HE3 LYS 12 OK 90 100 90 100 2.1-5.5 4.8=53, ~463=40, ~423=31...(68) * HB3 LYS 12 + HE3 LYS 12 OK 80 100 80 100 2.4-5.4 4.8=53, ~463=40, ~423=31...(68) HB3 LYS 90 + HE3 LYS 90 OK 29 37 80 99 3.6-5.3 4.8=53, ~3917=25...(31) HB2 LYS 20 - HE3 LYS 24 poor 18 88 20 - 2.8-9.2 HB2 LYS 20 - HE2 LYS 24 poor 18 88 20 - 3.3-9.0 HB3 LYS 12 - HE2 LYS 13 far 15 100 15 - 4.2-8.6 HB3 LYS 12 - HE3 LYS 13 poor 5 99 25 20 4.1-8.1 4.2/6181=10, 402=3...(5) HB2 GLU 43 - HE3 LYS 47 far 3 54 5 - 4.8-10.6 HB2 LYS 12 - HE3 LYS 13 far 0 99 0 - 4.8-9.0 HB2 LYS 12 - HE2 LYS 13 far 0 100 0 - 5.4-9.2 HB3 LEU 14 - HE3 LYS 90 far 0 32 0 - 5.7-11.8 HB3 LYS 39 - HE2 LYS 73 far 0 93 0 - 5.8-12.1 HB2 GLU 43 - HE2 LYS 47 far 0 54 0 - 6.0-10.4 HB3 LYS 39 - HE3 LYS 73 far 0 84 0 - 6.8-12.3 HB2 ARG 19 - HE3 LYS 12 far 0 84 0 - 7.1-13.4 HB2 LYS 20 - HE3 LYS 90 far 0 47 0 - 7.2-11.1 HB3 LEU 14 - HE3 LYS 13 far 0 63 0 - 7.7-9.9 HB3 LEU 14 - HE2 LYS 13 far 0 64 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 83 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 83 0 - 7.8-13.7 HB3 LYS 90 - HE3 LYS 24 far 0 73 0 - 7.9-12.5 HB2 ARG 19 - HE3 LYS 90 far 0 44 0 - 8.3-14.1 HB3 LYS 90 - HE2 LYS 24 far 0 73 0 - 8.5-13.5 HB2 LYS 68 - HE3 LYS 73 far 0 62 0 - 8.6-13.6 HB3 LEU 14 - HE3 LYS 12 far 0 65 0 - 8.8-11.0 HB3 LYS 68 - HE3 LYS 73 far 0 84 0 - 8.9-14.2 HB3 LYS 66 - HE2 LYS 73 far 0 93 0 - 9.0-13.0 HG LEU 42 - HE2 LYS 73 far 0 67 0 - 9.2-14.5 HB3 LYS 66 - HE3 LYS 73 far 0 84 0 - 9.5-12.9 HB2 LYS 20 - HE2 LYS 13 far 0 87 0 - 9.5-16.1 HB3 LYS 68 - HE2 LYS 73 far 0 93 0 - 9.5-12.8 HB2 LYS 68 - HE2 LYS 73 far 0 70 0 - 9.8-12.3 HB2 LYS 12 - HE3 LYS 90 far 0 60 0 - 9.9-16.6 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 34 assignments used, quality = 1.00: * HG2 LYS 12 + HE3 LYS 12 OK 100 100 100 100 3.1-4.1 4.0=71, 423/1.8=51...(53) HG2 LYS 13 + HE2 LYS 13 OK 95 95 100 100 2.2-3.9 3.8=79, 518/6.0=18...(90) HG2 LYS 13 + HE3 LYS 13 OK 94 94 100 100 2.2-3.7 3.8=79, 518/6.0=18...(90) HG3 ARG 91 - HE3 LYS 90 far 9 59 15 - 3.4-11.3 HG2 LYS 20 - HE3 LYS 24 far 5 98 5 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 0 98 0 - 4.5-11.6 HG3 LYS 39 - HE2 LYS 73 far 0 93 0 - 4.8-12.2 HG3 LYS 39 - HE3 LYS 73 far 0 84 0 - 5.1-12.3 HG2 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.3-12.7 HG13 ILE 52 - HE2 LYS 47 far 0 95 0 - 6.3-11.4 QB ALA 22 - HE2 LYS 24 far 0 99 0 - 6.4-9.8 QB ALA 22 - HE3 LYS 24 far 0 99 0 - 6.6-10.0 HG2 LYS 13 - HE3 LYS 12 far 0 96 0 - 6.8-11.9 HG2 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.0-10.5 QB ALA 22 - HE3 LYS 90 far 0 57 0 - 7.1-11.3 HG2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-10.9 QB ALA 71 - HE2 LYS 73 far 0 58 0 - 7.2-9.5 HG13 ILE 52 - HE3 LYS 47 far 0 95 0 - 7.4-12.6 HG12 ILE 7 - HE3 LYS 90 far 0 49 0 - 7.4-13.1 QB ALA 71 - HE3 LYS 73 far 0 51 0 - 7.6-9.7 HG13 ILE 76 - HE3 LYS 47 far 0 96 0 - 8.0-14.1 HG13 ILE 76 - HE2 LYS 47 far 0 96 0 - 8.1-14.2 HG13 ILE 76 - HE2 LYS 73 far 0 91 0 - 8.3-13.7 HB2 LEU 38 - HE2 LYS 73 far 0 91 0 - 8.5-15.3 HG13 ILE 76 - HE3 LYS 73 far 0 82 0 - 8.6-13.8 HG2 LYS 20 - HE3 LYS 12 far 0 98 0 - 9.0-14.6 HG LEU 29 - HE3 LYS 90 far 0 57 0 - 9.1-14.8 HG2 LYS 20 - HE2 LYS 13 far 0 97 0 - 9.1-15.2 HG2 LYS 13 - HE3 LYS 90 far 0 54 0 - 9.3-13.8 HB2 LEU 38 - HE3 LYS 73 far 0 82 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 98 0 - 9.4-11.9 HG LEU 38 - HE2 LYS 73 far 0 88 0 - 9.5-14.8 HB2 LEU 27 - HE3 LYS 24 far 0 98 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 96 0 - 9.9-14.9 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 33 assignments used, quality = 1.00: HG2 LYS 24 + HE3 LYS 24 OK 95 99 100 96 2.4-3.7 3.7=50, 1121/3.0=10...(73) HG2 LYS 24 + HE2 LYS 24 OK 90 99 95 96 2.0-3.9 3.7=50, 1121/3.0=10...(73) HG3 LYS 73 + HE2 LYS 73 OK 84 93 95 96 2.4-4.0 4.0=40, 3298/3.0=20...(80) * HG3 LYS 12 + HE3 LYS 12 OK 75 100 80 94 2.4-4.2 4.0=42, ~463=31, ~423=23...(37) HG3 LYS 47 + HE2 LYS 47 OK 66 76 90 97 2.4-4.2 3.8=48, 3.0/2155=10...(78) HG3 LYS 73 + HE3 LYS 73 OK 52 84 65 96 2.3-4.2 4.0=40, 3298/3.0=20...(82) HG3 LYS 47 + HE3 LYS 47 OK 52 76 70 97 2.0-4.2 3.8=48, 1.8/2205=11...(78) HG3 LYS 90 + HE3 LYS 90 OK 48 57 100 83 2.1-3.7 3.8=48, 1.8/4005=16...(15) HG3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 92 0 - 6.2-13.7 HD3 LYS 94 - HE3 LYS 90 far 0 60 0 - 6.3-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 39 0 - 7.7-11.2 HG2 ARG 19 - HE3 LYS 12 far 0 99 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 83 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 100 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 77 0 - 8.2-13.0 HB3 GLU 28 - HE2 LYS 47 far 0 71 0 - 8.2-16.2 HG2 ARG 19 - HE3 LYS 90 far 0 58 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 58 0 - 8.3-12.2 HG LEU 27 - HE2 LYS 24 far 0 100 0 - 8.5-11.7 HB3 GLU 28 - HE3 LYS 47 far 0 71 0 - 8.8-16.9 HG3 LYS 90 - HE2 LYS 13 far 0 98 0 - 9.0-15.4 HG3 LYS 90 - HE2 LYS 24 far 0 99 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 100 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 77 0 - 9.6-12.9 HB3 LEU 29 - HE3 LYS 90 far 0 60 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 24 far 0 100 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 100 0 - 9.7-14.1 HG3 LYS 90 - HE3 LYS 24 far 0 99 0 - 9.8-13.3 HG2 ARG 19 - HE3 LYS 24 far 0 99 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 99 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 100 0 - 9.9-14.5 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 74 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.4-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.3-3.0 2.9=60, 3.0/474=8...(44) HD2 LYS 13 + HE3 LYS 13 OK 87 99 100 87 2.2-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 13 + HE3 LYS 13 OK 87 99 100 87 2.2-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 24 + HE3 LYS 24 OK 86 100 100 86 2.4-3.0 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) 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 2.4-3.0 3.0=59, 1121/3.7=5...(53) * HD2 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.3-3.0 3.0=58, ~463=13, ~423=10...(25) HD3 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.2-3.0 3.0=58, ~463=13, ~423=10...(25) HD3 LYS 47 + HE2 LYS 47 OK 75 89 100 84 2.2-3.0 3.0=59, 3.0/2176=6...(42) HD3 LYS 47 + HE3 LYS 47 OK 74 89 100 84 2.3-3.0 3.0=59, 3.0/2177=6...(42) HD2 LYS 47 + HE2 LYS 47 OK 74 88 100 84 2.2-3.0 3.0=59, 3.0/2177=6...(46) HD2 LYS 47 + HE3 LYS 47 OK 74 88 100 84 2.2-3.0 3.0=59, 3.0/2177=6...(46) HD2 LYS 73 + HE2 LYS 73 OK 51 62 100 82 2.3-3.0 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE2 LYS 73 OK 48 58 100 83 2.2-3.0 3.0=57, 3298/4.0=5...(45) HD3 LYS 90 + HE3 LYS 90 OK 44 60 100 75 2.3-3.0 3.0=59, 2.9/4005=8...(10) HD2 LYS 73 + HE3 LYS 73 OK 44 54 100 82 2.2-3.0 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE3 LYS 73 OK 42 51 100 83 2.2-3.0 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) HB3 ARG 91 - HE3 LYS 90 far 0 52 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 58 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 79 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 44 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 44 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 99 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 93 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 85 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 93 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 98 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 73 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 83 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 87 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 98 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 73 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 85 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 98 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 86 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 76 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 59 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 78 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 88 0 - 8.2-15.0 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 8.6-14.5 HG3 LYS 20 - HE2 LYS 13 far 0 83 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 99 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 59 0 - 9.7-13.7 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.8-15.4 HG3 LYS 20 - HE3 LYS 12 far 0 84 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 81 0 - 10.0-14.9 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 74 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.4-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.3-3.0 2.9=60, 3.0/474=8...(44) HD2 LYS 13 + HE3 LYS 13 OK 87 99 100 87 2.2-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 13 + HE3 LYS 13 OK 87 99 100 87 2.2-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 24 + HE3 LYS 24 OK 86 100 100 86 2.4-3.0 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) 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 2.4-3.0 3.0=59, 1121/3.7=5...(53) HD2 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.3-3.0 3.0=58, ~463=13, ~423=10...(25) * HD3 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.2-3.0 3.0=58, ~463=13, ~423=10...(25) HD3 LYS 47 + HE2 LYS 47 OK 75 89 100 84 2.2-3.0 3.0=59, 3.0/2176=6...(42) HD3 LYS 47 + HE3 LYS 47 OK 74 89 100 84 2.3-3.0 3.0=59, 3.0/2177=6...(42) HD2 LYS 47 + HE2 LYS 47 OK 74 88 100 84 2.2-3.0 3.0=59, 3.0/2177=6...(46) HD2 LYS 47 + HE3 LYS 47 OK 74 88 100 84 2.2-3.0 3.0=59, 3.0/2177=6...(46) HD2 LYS 73 + HE2 LYS 73 OK 51 62 100 82 2.3-3.0 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE2 LYS 73 OK 48 58 100 83 2.2-3.0 3.0=57, 3298/4.0=5...(45) HD3 LYS 90 + HE3 LYS 90 OK 44 60 100 75 2.3-3.0 3.0=59, 2.9/4005=8...(10) HD2 LYS 73 + HE3 LYS 73 OK 44 54 100 82 2.2-3.0 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE3 LYS 73 OK 42 51 100 83 2.2-3.0 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) HB3 ARG 91 - HE3 LYS 90 far 0 52 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 58 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 79 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 44 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 44 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 99 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 93 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 85 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 93 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 98 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 73 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 83 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 87 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 98 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 73 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 85 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 98 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 86 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 76 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 59 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 78 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 88 0 - 8.2-15.0 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 8.6-14.5 HG3 LYS 20 - HE2 LYS 13 far 0 83 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 99 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 59 0 - 9.7-13.7 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.8-15.4 HG3 LYS 20 - HE3 LYS 12 far 0 84 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 81 0 - 10.0-14.9 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 15 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 HE2 LYS 12 - HE2 LYS 13 far 0 100 0 - 4.7-13.2 HB3 ASP 11 - HE3 LYS 13 far 0 96 0 - 5.2-8.6 HE2 LYS 12 - HE3 LYS 13 far 0 99 0 - 5.3-12.7 HB3 ASP 11 - HE2 LYS 13 far 0 97 0 - 5.3-9.0 HE2 LYS 33 - HE3 LYS 12 far 0 98 0 - 5.5-12.5 HE3 LYS 33 - HE3 LYS 12 far 0 98 0 - 5.7-12.7 HB2 PHE 45 - HE2 LYS 47 far 0 83 0 - 6.3-10.0 HB2 PHE 45 - HE3 LYS 47 far 0 83 0 - 6.5-11.2 HB2 SER 9 - HE3 LYS 12 far 0 96 0 - 7.9-11.6 HB3 ASP 11 - HE3 LYS 90 far 0 56 0 - 7.9-13.7 HB3 ASP 11 - HE3 LYS 12 far 0 98 0 - 8.0-10.0 HB2 SER 9 - HE3 LYS 90 far 0 53 0 - 8.3-14.7 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): 3 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 75 + HA GLN 72 OK 62 70 100 88 3.1-3.8 2.9/10833=41...(11) H GLU 17 + HA LYS 13 OK 45 98 55 83 3.8-4.6 6250/493=43, 4.6/6226=28...(8) H ILE 15 - HA LYS 13 far 0 100 0 - 4.2-4.7 H LYS 90 - HA LYS 13 far 0 79 0 - 9.6-12.3 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 10 assignments used, quality = 1.00: * HB2 LYS 13 + HA LYS 13 OK 99 100 100 99 2.4-3.0 3.0=86, 3.0/486=37...(25) HB3 LYS 13 + HA LYS 13 OK 99 100 100 99 2.4-3.0 3.0=86, 3.0/486=37...(25) HB3 LEU 14 - HA LYS 13 far 0 97 0 - 5.6-6.0 HB2 GLU 17 - HA LYS 13 far 0 85 0 - 6.2-7.5 HB2 ARG 19 - HA LYS 13 far 0 87 0 - 7.8-10.4 HB3 ARG 19 - HA LYS 13 far 0 98 0 - 7.9-10.4 HB3 LYS 20 - HA LYS 13 far 0 94 0 - 8.2-10.3 HB2 LYS 20 - HA LYS 13 far 0 82 0 - 8.5-11.7 HB VAL 54 - HA GLN 72 far 0 45 0 - 8.7-10.2 HG LEU 42 - HA GLN 72 far 0 59 0 - 8.8-10.4 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 10 assignments used, quality = 1.00: * HB3 LYS 13 + HA LYS 13 OK 99 100 100 99 2.4-3.0 3.0=86, 3.0/486=37...(25) HB2 LYS 13 + HA LYS 13 OK 99 100 100 99 2.4-3.0 3.0=86, 3.0/486=37...(25) HB3 LEU 14 - HA LYS 13 far 0 98 0 - 5.6-6.0 HB2 GLU 17 - HA LYS 13 far 0 82 0 - 6.2-7.5 HB2 ARG 19 - HA LYS 13 far 0 90 0 - 7.8-10.4 HB3 ARG 19 - HA LYS 13 far 0 96 0 - 7.9-10.4 HB3 LYS 20 - HA LYS 13 far 0 92 0 - 8.2-10.3 HB2 LYS 20 - HA LYS 13 far 0 85 0 - 8.5-11.7 HB VAL 54 - HA GLN 72 far 0 48 0 - 8.7-10.2 HG LEU 42 - HA GLN 72 far 0 61 0 - 8.8-10.4 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 6 assignments used, quality = 1.00: * HG2 LYS 13 + HA LYS 13 OK 100 100 100 100 3.2-3.8 518=76, 6176/2.9=50...(46) QB ALA 71 + HA GLN 72 OK 58 59 100 98 3.7-3.9 7170/3.0=58, 5.0=36...(18) HG13 ILE 76 - HA GLN 72 far 0 69 0 - 5.5-7.9 HG2 LYS 12 - HA LYS 13 far 0 96 0 - 6.0-6.6 HG2 LYS 20 - HA LYS 13 far 0 82 0 - 7.7-10.2 HG3 LYS 39 - HA GLN 72 far 0 66 0 - 8.7-12.6 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 6 assignments used, quality = 1.00: * HG3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.2-3.3 3.9=63, 1.8/518=57...(42) HB2 LEU 14 - HA LYS 13 far 0 85 0 - 5.7-6.1 HG2 LYS 73 - HA GLN 72 far 0 69 0 - 5.7-7.3 HG12 ILE 56 - HA GLN 72 far 0 41 0 - 8.9-11.5 HG3 ARG 79 - HA GLN 72 far 0 36 0 - 9.1-12.4 HG2 ARG 79 - HA GLN 72 far 0 37 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 487 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 3.62 A): 2 out of 16 assignments used, quality = 1.00: * HD2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.0-4.5 3.0/486=60, 3.0/518=51...(63) HD3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.2-4.2 3.0/486=60, 3.0/518=51...(63) HB ILE 15 - HA LYS 13 far 0 79 0 - 5.2-5.7 HD3 LYS 12 - HA LYS 13 far 0 100 0 - 5.5-7.9 HD2 LYS 12 - HA LYS 13 far 0 100 0 - 6.0-7.9 HG2 PRO 86 - HA LYS 13 far 0 99 0 - 6.2-7.8 HD3 LYS 20 - HA LYS 13 far 0 84 0 - 6.3-10.0 HD2 LYS 20 - HA LYS 13 far 0 88 0 - 6.4-9.1 HD2 LYS 73 - HA GLN 72 far 0 43 0 - 6.7-8.3 HD3 LYS 73 - HA GLN 72 far 0 40 0 - 6.7-8.4 HG3 LYS 20 - HA LYS 13 far 0 84 0 - 7.1-10.7 HB3 LEU 70 - HA GLN 72 far 0 63 0 - 7.2-7.9 HG12 ILE 15 - HA LYS 13 far 0 100 0 - 7.6-8.3 HD3 LYS 90 - HA LYS 13 far 0 100 0 - 8.3-13.5 HG LEU 70 - HA GLN 72 far 0 70 0 - 8.5-9.8 HD2 LYS 90 - HA LYS 13 far 0 59 0 - 9.2-13.0 Violated in 4 structures by 0.00 A. Peak 488 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 3.62 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.2-4.2 3.0/486=60, 3.0/518=51...(63) HD2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.0-4.5 3.0/486=60, 3.0/518=51...(63) HB ILE 15 - HA LYS 13 far 0 82 0 - 5.2-5.7 HD3 LYS 12 - HA LYS 13 far 0 100 0 - 5.5-7.9 HD2 LYS 12 - HA LYS 13 far 0 100 0 - 6.0-7.9 HG2 PRO 86 - HA LYS 13 far 0 99 0 - 6.2-7.8 HD3 LYS 20 - HA LYS 13 far 0 81 0 - 6.3-10.0 HD2 LYS 20 - HA LYS 13 far 0 85 0 - 6.4-9.1 HD2 LYS 73 - HA GLN 72 far 0 40 0 - 6.7-8.3 HD3 LYS 73 - HA GLN 72 far 0 37 0 - 6.7-8.4 HG3 LYS 20 - HA LYS 13 far 0 81 0 - 7.1-10.7 HB3 LEU 70 - HA GLN 72 far 0 65 0 - 7.2-7.9 HG12 ILE 15 - HA LYS 13 far 0 99 0 - 7.6-8.3 HD3 LYS 90 - HA LYS 13 far 0 100 0 - 8.3-13.5 HG LEU 70 - HA GLN 72 far 0 69 0 - 8.5-9.8 HD2 LYS 90 - HA LYS 13 far 0 63 0 - 9.2-13.0 Violated in 4 structures by 0.00 A. Peak 489 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 4.74 A): 3 out of 10 assignments used, quality = 1.00: HE3 LYS 13 + HA LYS 13 OK 100 100 100 100 3.7-5.4 3.8/486=75, 3.8/518=68...(52) * HE2 LYS 13 + HA LYS 13 OK 85 100 85 100 2.7-6.1 3.8/486=75, 3.8/518=68...(52) HB3 ASP 11 + HA LYS 13 OK 54 70 85 91 5.0-6.5 6196/3.6=44, ~8390=36...(12) HE3 LYS 12 - HA LYS 13 far 0 100 0 - 5.7-9.1 HE3 LYS 90 - HA LYS 13 far 0 87 0 - 7.1-12.7 HE2 LYS 73 - HA GLN 72 far 0 68 0 - 8.0-9.6 HE3 LYS 73 - HA GLN 72 far 0 64 0 - 8.0-9.7 HB2 SER 9 - HA LYS 13 far 0 75 0 - 8.1-9.8 HB2 PHE 45 - HA GLN 72 far 0 55 0 - 9.5-11.6 HB3 PHE 45 - HA GLN 72 far 0 68 0 - 9.9-12.9 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 10 assignments used, quality = 1.00: * HE3 LYS 13 + HA LYS 13 OK 100 100 100 100 3.7-5.4 3.8/486=75, 3.8/518=68...(52) HE2 LYS 13 + HA LYS 13 OK 85 100 85 100 2.7-6.1 3.8/486=75, 3.8/518=68...(52) HB3 ASP 11 + HA LYS 13 OK 51 65 85 91 5.0-6.5 6196/3.6=44, ~8390=36...(12) HE3 LYS 12 - HA LYS 13 far 0 100 0 - 5.7-9.1 HE3 LYS 90 - HA LYS 13 far 0 90 0 - 7.1-12.7 HE2 LYS 73 - HA GLN 72 far 0 68 0 - 8.0-9.6 HE3 LYS 73 - HA GLN 72 far 0 66 0 - 8.0-9.7 HB2 SER 9 - HA LYS 13 far 0 71 0 - 8.1-9.8 HB2 PHE 45 - HA GLN 72 far 0 53 0 - 9.5-11.6 HB3 PHE 45 - HA GLN 72 far 0 68 0 - 9.9-12.9 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 3.5-3.6 3.6=100 H ILE 76 + HA GLN 72 OK 65 68 100 95 2.9-4.5 9650=61, 7248/10833=53...(10) 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 = 1.00: * H GLU 16 + HA LYS 13 OK 100 100 100 100 3.5-4.1 6226=100, 6237/493=56...(10) H LYS 90 - HA LYS 13 far 0 77 0 - 9.6-12.3 Violated in 8 structures by 0.07 A. Peak 493 from cnoeabs.peaks (2.08, 4.15, 58.53 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.25: * HB2 GLU 16 + HA LYS 13 OK 25 100 30 84 3.3-5.2 6237/6226=52, 1.8/494=41...(5) HB2 MET 74 - HA GLN 72 far 0 65 0 - 5.2-7.0 HB3 PRO 86 - HA LYS 13 far 0 79 0 - 5.9-7.5 Violated in 19 structures by 0.94 A. Peak 494 from cnoeabs.peaks (2.17, 4.15, 58.53 ppm; 3.00 A): 2 out of 10 assignments used, quality = 0.88: HB2 GLN 72 + HA GLN 72 OK 70 70 100 100 2.4-2.8 3.0=100 * HB3 GLU 16 + HA LYS 13 OK 60 100 70 86 2.8-5.0 1.8/493=51, 6238/6226=37...(7) HG2 GLU 75 - HA GLN 72 far 0 68 0 - 4.8-6.4 HG3 GLU 75 - HA GLN 72 far 0 68 0 - 4.9-7.1 HB2 GLU 75 - HA GLN 72 far 0 47 0 - 5.6-6.7 HG3 PRO 86 - HA LYS 13 far 0 77 0 - 6.0-9.0 HB3 GLU 75 - HA GLN 72 far 0 54 0 - 6.1-6.9 HB3 GLU 69 - HA GLN 72 far 0 34 0 - 6.8-7.9 HB2 GLU 69 - HA GLN 72 far 0 34 0 - 7.5-8.4 HG2 GLU 69 - HA GLN 72 far 0 34 0 - 8.1-9.6 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 8 assignments used, quality = 1.00: * H LYS 13 + HB2 LYS 13 OK 98 100 100 98 2.1-3.6 6174=50, 6177/3.0=37...(22) H LYS 13 + HB3 LYS 13 OK 98 100 100 98 2.7-3.6 6174=50, 6177/3.0=37...(20) H ILE 15 - HB2 LYS 13 far 0 100 0 - 4.8-5.7 H ILE 15 - HB3 LYS 13 far 0 100 0 - 4.9-5.9 H GLU 17 - HB3 LYS 13 far 0 98 0 - 5.0-6.1 H GLU 17 - HB2 LYS 13 far 0 98 0 - 5.6-6.6 H LYS 90 - HB3 LYS 13 far 0 79 0 - 9.5-12.1 H LYS 90 - HB2 LYS 13 far 0 79 0 - 9.6-11.9 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 5 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 85 - HB3 LYS 13 far 0 65 0 - 8.3-10.3 HB3 SER 85 - HB2 LYS 13 far 0 65 0 - 8.5-10.3 HB2 SER 59 - HB2 LYS 13 far 0 100 0 - 10.0-12.0 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 2.3-3.0 3.0=100 HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 - HB2 LYS 13 far 0 96 0 - 6.3-8.0 HG2 LYS 12 - HB3 LYS 13 far 0 96 0 - 7.1-8.4 HG2 LYS 20 - HB3 LYS 13 far 0 82 0 - 9.1-11.8 HG2 LYS 20 - HB2 LYS 13 far 0 82 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 500 from cnoeabs.peaks (1.50, 1.92, 31.45 ppm; 3.18 A): 3 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 14 + HB2 LYS 13 OK 25 85 50 60 3.9-5.3 594/4.6=21, 3.0/586=13...(11) HB2 LEU 14 - HB3 LYS 13 far 4 85 5 - 4.0-6.4 Violated in 0 structures by 0.00 A. Peak 501 from cnoeabs.peaks (1.70, 1.92, 31.45 ppm; 3.52 A): 4 out of 24 assignments used, quality = 1.00: * HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 487/3.0=26...(110) HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 487/3.0=26...(110) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-3.8 3.6=94, 487/3.0=26...(108) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 487/3.0=26...(108) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 4.4-6.1 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.7-7.1 HB ILE 15 - HB2 LYS 13 far 0 79 0 - 6.4-7.3 HB ILE 15 - HB3 LYS 13 far 0 79 0 - 6.7-7.5 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.0-9.3 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.6-12.8 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-9.8 HD3 LYS 20 - HB3 LYS 13 far 0 84 0 - 7.8-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 88 0 - 7.9-10.9 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.1-14.5 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.9 HD3 LYS 20 - HB2 LYS 13 far 0 84 0 - 8.2-12.7 HG3 LYS 20 - HB3 LYS 13 far 0 84 0 - 8.3-11.9 HG12 ILE 15 - HB2 LYS 13 far 0 100 0 - 8.4-9.6 HD2 LYS 90 - HB3 LYS 13 far 0 59 0 - 8.4-12.7 HD2 LYS 20 - HB2 LYS 13 far 0 88 0 - 8.6-11.8 HG12 ILE 15 - HB3 LYS 13 far 0 100 0 - 8.7-9.8 HD2 LYS 90 - HB2 LYS 13 far 0 59 0 - 9.1-14.3 HG3 LYS 20 - HB2 LYS 13 far 0 84 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 502 from cnoeabs.peaks (1.70, 1.92, 31.45 ppm; 3.52 A): 4 out of 24 assignments used, quality = 1.00: * HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 488/3.0=26...(110) HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 488/3.0=26...(110) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 488/3.0=26...(108) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-3.8 3.6=94, 488/3.0=26...(108) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 4.4-6.1 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.7-7.1 HB ILE 15 - HB2 LYS 13 far 0 82 0 - 6.4-7.3 HB ILE 15 - HB3 LYS 13 far 0 82 0 - 6.7-7.5 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.0-9.3 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.6-12.8 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-9.8 HD3 LYS 20 - HB3 LYS 13 far 0 80 0 - 7.8-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 85 0 - 7.9-10.9 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.1-14.5 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.9 HD3 LYS 20 - HB2 LYS 13 far 0 81 0 - 8.2-12.7 HG3 LYS 20 - HB3 LYS 13 far 0 80 0 - 8.3-11.9 HG12 ILE 15 - HB2 LYS 13 far 0 99 0 - 8.4-9.6 HD2 LYS 90 - HB3 LYS 13 far 0 63 0 - 8.4-12.7 HD2 LYS 20 - HB2 LYS 13 far 0 85 0 - 8.6-11.8 HG12 ILE 15 - HB3 LYS 13 far 0 99 0 - 8.7-9.8 HD2 LYS 90 - HB2 LYS 13 far 0 63 0 - 9.1-14.3 HG3 LYS 20 - HB2 LYS 13 far 0 81 0 - 9.4-13.0 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 14 assignments used, quality = 1.00: * HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.6-5.5 5.0=78, 576/3.0=28...(98) HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.3-5.5 5.0=78, 576/3.0=28...(99) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-5.5 5.0=78, 576/3.0=28...(93) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.3-4.8 5.0=78, 576/3.0=28...(96) HB3 ASP 11 + HB2 LYS 13 OK 59 70 100 86 2.9-4.8 6196/4.6=34, 1.8/8362=27...(13) HB3 ASP 11 + HB3 LYS 13 OK 55 69 95 83 3.1-6.3 6196/4.6=34, ~8362=21...(11) HE3 LYS 90 - HB3 LYS 13 far 0 87 0 - 6.4-11.8 HB2 SER 9 - HB2 LYS 13 far 0 75 0 - 7.2-9.6 HE3 LYS 90 - HB2 LYS 13 far 0 87 0 - 7.4-13.5 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.5-11.0 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.9 HB2 SER 9 - HB3 LYS 13 far 0 75 0 - 7.8-10.2 HB2 ASN 10 - HB2 LYS 13 far 0 73 0 - 8.6-10.5 HB2 ASN 10 - HB3 LYS 13 far 0 73 0 - 8.9-11.4 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 14 assignments used, quality = 1.00: * HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.3-5.5 5.0=78, 576/3.0=28...(99) HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.6-5.5 5.0=78, 576/3.0=28...(98) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.3-4.8 5.0=78, 576/3.0=28...(96) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-5.5 5.0=78, 576/3.0=28...(93) HB3 ASP 11 + HB2 LYS 13 OK 56 65 100 85 2.9-4.8 6196/4.6=34, 1.8/8362=27...(13) HB3 ASP 11 + HB3 LYS 13 OK 51 65 95 83 3.1-6.3 6196/4.6=34, ~8362=21...(11) HE3 LYS 90 - HB3 LYS 13 far 0 89 0 - 6.4-11.8 HB2 SER 9 - HB2 LYS 13 far 0 71 0 - 7.2-9.6 HE3 LYS 90 - HB2 LYS 13 far 0 90 0 - 7.4-13.5 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.5-11.0 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.9 HB2 SER 9 - HB3 LYS 13 far 0 71 0 - 7.8-10.2 HB2 ASN 10 - HB2 LYS 13 far 0 77 0 - 8.6-10.5 HB2 ASN 10 - HB3 LYS 13 far 0 77 0 - 8.9-11.4 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 4 assignments used, quality = 1.00: * H LEU 14 + HB2 LYS 13 OK 97 100 100 97 2.4-3.8 6182/4.0=43, 4.6=42...(21) H LEU 14 + HB3 LYS 13 OK 97 100 100 97 2.5-3.8 6182/4.0=43, 4.6=42...(18) H GLU 88 - HB2 LYS 13 far 0 93 0 - 9.7-11.9 H GLU 88 - HB3 LYS 13 far 0 93 0 - 9.7-11.6 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 8 assignments used, quality = 1.00: H LYS 13 + HB2 LYS 13 OK 98 100 100 98 2.1-3.6 6175=50, 6177/3.0=37...(22) * H LYS 13 + HB3 LYS 13 OK 98 100 100 98 2.7-3.6 6175=50, 6177/3.0=37...(20) H ILE 15 - HB2 LYS 13 far 0 100 0 - 4.8-5.7 H ILE 15 - HB3 LYS 13 far 0 100 0 - 4.9-5.9 H GLU 17 - HB3 LYS 13 far 0 98 0 - 5.0-6.1 H GLU 17 - HB2 LYS 13 far 0 98 0 - 5.6-6.6 H LYS 90 - HB3 LYS 13 far 0 79 0 - 9.5-12.1 H LYS 90 - HB2 LYS 13 far 0 79 0 - 9.6-11.9 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 5 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 85 - HB3 LYS 13 far 0 65 0 - 8.3-10.3 HB3 SER 85 - HB2 LYS 13 far 0 65 0 - 8.5-10.3 HB2 SER 59 - HB2 LYS 13 far 0 100 0 - 10.0-12.0 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 2.3-3.0 3.0=100 HG2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 - HB2 LYS 13 far 0 96 0 - 6.3-8.0 HG2 LYS 12 - HB3 LYS 13 far 0 96 0 - 7.1-8.4 HG2 LYS 20 - HB3 LYS 13 far 0 82 0 - 9.1-11.8 HG2 LYS 20 - HB2 LYS 13 far 0 82 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 511 from cnoeabs.peaks (1.50, 1.91, 31.45 ppm; 3.18 A): 3 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 14 + HB2 LYS 13 OK 25 85 50 60 3.9-5.3 594/4.6=21, 3.0/586=13...(11) HB2 LEU 14 - HB3 LYS 13 far 4 85 5 - 4.0-6.4 Violated in 0 structures by 0.00 A. Peak 512 from cnoeabs.peaks (1.70, 1.91, 31.45 ppm; 3.52 A): 4 out of 24 assignments used, quality = 1.00: * HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-3.8 3.6=94, 487/3.0=26...(108) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 487/3.0=26...(108) HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 487/3.0=26...(110) HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 487/3.0=26...(110) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 4.4-6.1 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.7-7.1 HB ILE 15 - HB2 LYS 13 far 0 79 0 - 6.4-7.3 HB ILE 15 - HB3 LYS 13 far 0 79 0 - 6.7-7.5 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.0-9.3 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.6-12.8 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-9.8 HD3 LYS 20 - HB3 LYS 13 far 0 84 0 - 7.8-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 88 0 - 7.9-10.9 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.1-14.5 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.9 HD3 LYS 20 - HB2 LYS 13 far 0 84 0 - 8.2-12.7 HG3 LYS 20 - HB3 LYS 13 far 0 84 0 - 8.3-11.9 HG12 ILE 15 - HB2 LYS 13 far 0 100 0 - 8.4-9.6 HD2 LYS 90 - HB3 LYS 13 far 0 59 0 - 8.4-12.7 HD2 LYS 20 - HB2 LYS 13 far 0 88 0 - 8.6-11.8 HG12 ILE 15 - HB3 LYS 13 far 0 100 0 - 8.7-9.8 HD2 LYS 90 - HB2 LYS 13 far 0 59 0 - 9.1-14.3 HG3 LYS 20 - HB2 LYS 13 far 0 84 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 513 from cnoeabs.peaks (1.70, 1.91, 31.45 ppm; 3.52 A): 4 out of 24 assignments used, quality = 1.00: * HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 488/3.0=26...(108) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-3.8 3.6=94, 488/3.0=26...(108) HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 488/3.0=26...(110) HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-3.7 3.6=94, 488/3.0=26...(110) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 4.4-6.1 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.7-7.1 HB ILE 15 - HB2 LYS 13 far 0 82 0 - 6.4-7.3 HB ILE 15 - HB3 LYS 13 far 0 82 0 - 6.7-7.5 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.0-9.3 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.6-12.8 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-9.8 HD3 LYS 20 - HB3 LYS 13 far 0 81 0 - 7.8-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 85 0 - 7.9-10.9 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.1-14.5 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.9 HD3 LYS 20 - HB2 LYS 13 far 0 80 0 - 8.2-12.7 HG3 LYS 20 - HB3 LYS 13 far 0 81 0 - 8.3-11.9 HG12 ILE 15 - HB2 LYS 13 far 0 99 0 - 8.4-9.6 HD2 LYS 90 - HB3 LYS 13 far 0 63 0 - 8.4-12.7 HD2 LYS 20 - HB2 LYS 13 far 0 85 0 - 8.6-11.8 HG12 ILE 15 - HB3 LYS 13 far 0 99 0 - 8.7-9.8 HD2 LYS 90 - HB2 LYS 13 far 0 63 0 - 9.1-14.3 HG3 LYS 20 - HB2 LYS 13 far 0 80 0 - 9.4-13.0 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 14 assignments used, quality = 1.00: * HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-5.5 5.0=78, 576/3.0=28...(93) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.3-4.8 5.0=78, 576/3.0=28...(96) HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.6-5.5 5.0=78, 576/3.0=28...(98) HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.3-5.5 5.0=78, 576/3.0=28...(99) HB3 ASP 11 + HB2 LYS 13 OK 60 69 100 86 2.9-4.8 6196/4.6=34, 1.8/8362=28...(13) HB3 ASP 11 + HB3 LYS 13 OK 55 70 95 83 3.1-6.3 6196/4.6=34, ~8362=21...(11) HE3 LYS 90 - HB3 LYS 13 far 0 87 0 - 6.4-11.8 HB2 SER 9 - HB2 LYS 13 far 0 75 0 - 7.2-9.6 HE3 LYS 90 - HB2 LYS 13 far 0 87 0 - 7.4-13.5 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.5-11.0 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.9 HB2 SER 9 - HB3 LYS 13 far 0 75 0 - 7.8-10.2 HB2 ASN 10 - HB2 LYS 13 far 0 73 0 - 8.6-10.5 HB2 ASN 10 - HB3 LYS 13 far 0 73 0 - 8.9-11.4 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 14 assignments used, quality = 1.00: HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.0-5.5 5.0=78, 576/3.0=28...(93) * HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.3-4.8 5.0=78, 576/3.0=28...(96) HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.3-5.5 5.0=78, 576/3.0=28...(99) HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.6-5.5 5.0=78, 576/3.0=28...(98) HB3 ASP 11 + HB2 LYS 13 OK 56 65 100 85 2.9-4.8 6196/4.6=34, 1.8/8362=28...(13) HB3 ASP 11 + HB3 LYS 13 OK 51 65 95 83 3.1-6.3 6196/4.6=34, ~8362=21...(11) HE3 LYS 90 - HB3 LYS 13 far 0 90 0 - 6.4-11.8 HB2 SER 9 - HB2 LYS 13 far 0 71 0 - 7.2-9.6 HE3 LYS 90 - HB2 LYS 13 far 0 89 0 - 7.4-13.5 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 7.5-11.0 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.9 HB2 SER 9 - HB3 LYS 13 far 0 71 0 - 7.8-10.2 HB2 ASN 10 - HB2 LYS 13 far 0 77 0 - 8.6-10.5 HB2 ASN 10 - HB3 LYS 13 far 0 77 0 - 8.9-11.4 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 4 assignments used, quality = 1.00: H LEU 14 + HB2 LYS 13 OK 97 100 100 97 2.4-3.8 6182/4.0=43, 4.6=42...(21) * H LEU 14 + HB3 LYS 13 OK 97 100 100 97 2.5-3.8 6182/4.0=43, 4.6=42...(18) H GLU 88 - HB2 LYS 13 far 0 93 0 - 9.7-11.9 H GLU 88 - HB3 LYS 13 far 0 93 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 517 from cnoeabs.peaks (8.07, 1.43, 25.00 ppm; 3.87 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-4.4 6176=100, 6177/1.8=79...(23) H LYS 13 - HG2 LYS 12 poor 18 92 20 - 4.4-5.3 H GLU 17 - HG2 LYS 20 poor 12 58 20 - 4.6-7.4 H ILE 15 - HG2 LYS 12 far 0 92 0 - 5.3-6.1 H ILE 15 - HG2 LYS 13 far 0 100 0 - 6.0-7.2 H GLU 17 - HG2 LYS 13 far 0 98 0 - 6.8-7.8 H LYS 90 - HG2 LYS 20 far 0 42 0 - 7.8-11.5 H GLU 17 - HG2 LYS 12 far 0 88 0 - 7.8-9.4 H ILE 15 - HG2 LYS 20 far 0 62 0 - 8.4-10.9 Violated in 2 structures by 0.03 A. Peak 518 from cnoeabs.peaks (4.15, 1.43, 25.00 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 13 + HG2 LYS 13 OK 100 100 100 100 3.2-3.8 3.9=97, 486/1.8=87...(47) HA LYS 13 - HG2 LYS 12 far 0 92 0 - 6.0-6.6 HA GLU 23 - HG2 LYS 20 far 0 61 0 - 7.3-8.9 HA LYS 13 - HG2 LYS 20 far 0 62 0 - 7.7-10.2 HB3 SER 85 - HG2 LYS 13 far 0 65 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 519 from cnoeabs.peaks (1.92, 1.43, 25.00 ppm; 3.18 A): 4 out of 19 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 20 + HG2 LYS 20 OK 54 54 100 100 2.3-3.0 3.0=100 HB2 LYS 20 + HG2 LYS 20 OK 44 44 100 100 2.3-3.0 3.0=100 HB3 ARG 19 - HG2 LYS 20 poor 14 58 50 49 3.1-7.0 4.1/6309=23, 798/3.7=14...(6) HB2 ARG 19 - HG2 LYS 20 far 5 48 10 - 4.0-7.1 HB2 GLU 17 - HG2 LYS 20 far 0 47 0 - 4.6-8.5 HB3 LEU 14 - HG2 LYS 13 far 0 97 0 - 6.2-7.6 HB2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.3-8.0 HB3 LEU 14 - HG2 LYS 12 far 0 86 0 - 7.1-8.4 HB3 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.1-8.4 HB3 ARG 19 - HG2 LYS 12 far 0 87 0 - 8.1-10.8 HB3 LYS 33 - HG2 LYS 12 far 0 92 0 - 8.4-12.1 HB2 GLU 17 - HG2 LYS 13 far 0 85 0 - 8.4-10.1 HB2 LYS 94 - HG2 LYS 20 far 0 61 0 - 8.6-12.8 HB2 ARG 19 - HG2 LYS 12 far 0 75 0 - 8.8-12.0 HB2 LYS 33 - HG2 LYS 12 far 0 92 0 - 8.9-12.2 HB3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-11.8 HB2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 520 from cnoeabs.peaks (1.91, 1.43, 25.00 ppm; 3.18 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 20 + HG2 LYS 20 OK 52 52 100 100 2.3-3.0 3.0=100 HB2 LYS 20 + HG2 LYS 20 OK 47 47 100 100 2.3-3.0 3.0=100 HB3 ARG 19 - HG2 LYS 20 poor 14 56 50 48 3.1-7.0 4.1/6309=23, 798/3.7=13...(6) HB2 ARG 19 - HG2 LYS 20 far 5 50 10 - 4.0-7.1 HB2 GLU 17 - HG2 LYS 20 far 0 44 0 - 4.6-8.5 HB3 LEU 14 - HG2 LYS 13 far 0 98 0 - 6.2-7.6 HB2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.3-8.0 HB3 LEU 14 - HG2 LYS 12 far 0 88 0 - 7.1-8.4 HB3 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.1-8.4 HB3 ARG 19 - HG2 LYS 12 far 0 85 0 - 8.1-10.8 HB3 LYS 33 - HG2 LYS 12 far 0 92 0 - 8.4-12.1 HB2 GLU 17 - HG2 LYS 13 far 0 82 0 - 8.4-10.1 HB2 LYS 94 - HG2 LYS 20 far 0 61 0 - 8.6-12.8 HB2 ARG 19 - HG2 LYS 12 far 0 78 0 - 8.8-12.0 HB2 LYS 33 - HG2 LYS 12 far 0 92 0 - 8.9-12.2 HB3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-11.8 HB2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.9-12.9 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 9 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 - 5.7-7.5 HG3 LYS 24 - HG2 LYS 20 far 0 59 0 - 5.9-8.7 HG3 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.2-7.9 HG3 LYS 33 - HG2 LYS 12 far 0 91 0 - 7.5-9.6 HB2 LEU 14 - HG2 LYS 12 far 0 73 0 - 7.9-9.2 HG3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.4-12.9 HB ILE 7 - HG2 LYS 20 far 0 47 0 - 9.6-12.7 HB ILE 7 - HG2 LYS 12 far 0 73 0 - 9.8-11.2 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 33 assignments used, quality = 1.00: * HD2 LYS 13 + HG2 LYS 13 OK 99 100 100 99 2.3-3.0 3.0=82, 5.5/518=12...(64) HD3 LYS 13 + HG2 LYS 13 OK 99 100 100 99 2.5-3.0 3.0=82, 5.5/518=12...(65) HD3 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(65) HD2 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.4-3.0 3.0=80, 3.0/463=30...(65) HD2 LYS 20 + HG2 LYS 20 OK 48 49 100 99 2.2-2.9 2.8=91, 1.8/1729=10...(97) 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, 1.8/10332=11...(91) HB ILE 15 - HG2 LYS 12 far 0 67 0 - 3.9-5.1 HG12 ILE 15 - HG2 LYS 12 far 0 91 0 - 4.6-6.6 HD3 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 99 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.9-9.4 HD3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 62 0 - 6.1-12.4 HD2 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.8-10.0 HB ILE 15 - HG2 LYS 13 far 0 79 0 - 7.2-8.6 HD2 LYS 33 - HG2 LYS 12 far 0 75 0 - 7.3-10.0 HD3 LYS 33 - HG2 LYS 12 far 0 75 0 - 7.3-10.2 HD2 LYS 90 - HG2 LYS 20 far 0 30 0 - 7.5-11.4 HB ILE 15 - HG2 LYS 20 far 0 42 0 - 8.1-10.8 HD3 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 76 0 - 8.8-13.1 HD2 LYS 20 - HG2 LYS 13 far 0 88 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 84 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 100 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 61 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 100 0 - 9.9-14.9 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 33 assignments used, quality = 1.00: * HD3 LYS 13 + HG2 LYS 13 OK 99 100 100 99 2.5-3.0 3.0=82, 5.5/518=12...(65) HD2 LYS 13 + HG2 LYS 13 OK 99 100 100 99 2.3-3.0 3.0=82, 5.5/518=12...(64) HD3 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(65) HD2 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.4-3.0 3.0=80, 3.0/463=30...(65) HD2 LYS 20 + HG2 LYS 20 OK 46 47 100 99 2.2-2.9 2.8=91, 1.8/1729=10...(97) 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, 1.8/10332=11...(91) HB ILE 15 - HG2 LYS 12 far 0 70 0 - 3.9-5.1 HG12 ILE 15 - HG2 LYS 12 far 0 90 0 - 4.6-6.6 HD3 LYS 24 - HG2 LYS 20 far 0 61 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 99 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 61 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.9-9.4 HD3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 61 0 - 6.1-12.4 HD2 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.8-10.0 HB ILE 15 - HG2 LYS 13 far 0 82 0 - 7.2-8.6 HD2 LYS 33 - HG2 LYS 12 far 0 78 0 - 7.3-10.0 HD3 LYS 33 - HG2 LYS 12 far 0 78 0 - 7.3-10.2 HD2 LYS 90 - HG2 LYS 20 far 0 32 0 - 7.5-11.4 HB ILE 15 - HG2 LYS 20 far 0 44 0 - 8.1-10.8 HD3 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 73 0 - 8.8-13.1 HD2 LYS 20 - HG2 LYS 13 far 0 85 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 81 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 99 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 69 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 60 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 100 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 525 from cnoeabs.peaks (2.96, 1.43, 25.00 ppm; 4.18 A): 3 out of 20 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=100 HE3 LYS 12 + HG2 LYS 12 OK 91 91 100 100 3.1-4.1 4.0=100 HB3 ASP 11 - HG2 LYS 13 poor 17 70 35 70 3.7-5.8 6196/6191=27...(9) HE3 LYS 24 - HG2 LYS 20 far 6 62 10 - 4.3-12.0 HE2 LYS 24 - HG2 LYS 20 far 3 62 5 - 4.5-11.6 HG2 MET 21 - HG2 LYS 20 far 3 52 5 - 5.0-8.5 HE3 LYS 90 - HG2 LYS 20 far 0 48 0 - 5.3-12.7 HB3 ASP 11 - HG2 LYS 12 far 0 58 0 - 6.0-7.9 HB2 SER 9 - HG2 LYS 12 far 0 64 0 - 6.7-9.9 HB2 ASN 10 - HG2 LYS 12 far 0 62 0 - 6.8-10.1 HE3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.8-11.9 HE3 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.0-10.5 HE2 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.2-10.9 HB2 ASN 10 - HG2 LYS 13 far 0 73 0 - 8.3-11.9 HB2 SER 9 - HG2 LYS 13 far 0 75 0 - 8.9-10.9 HE3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.0-14.6 HE2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-15.2 HE3 LYS 90 - HG2 LYS 13 far 0 87 0 - 9.3-13.8 HE3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 526 from cnoeabs.peaks (2.96, 1.43, 25.00 ppm; 4.18 A): 3 out of 20 assignments used, quality = 1.00: * HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=100 HE3 LYS 12 + HG2 LYS 12 OK 91 91 100 100 3.1-4.1 4.0=100 HB3 ASP 11 - HG2 LYS 13 poor 16 65 35 70 3.7-5.8 6196/6191=27, ~8362=13...(9) HE3 LYS 24 - HG2 LYS 20 far 6 62 10 - 4.3-12.0 HE2 LYS 24 - HG2 LYS 20 far 3 62 5 - 4.5-11.6 HG2 MET 21 - HG2 LYS 20 far 3 54 5 - 5.0-8.5 HE3 LYS 90 - HG2 LYS 20 far 0 50 0 - 5.3-12.7 HB3 ASP 11 - HG2 LYS 12 far 0 55 0 - 6.0-7.9 HB2 SER 9 - HG2 LYS 12 far 0 60 0 - 6.7-9.9 HB2 ASN 10 - HG2 LYS 12 far 0 65 0 - 6.8-10.1 HE3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.8-11.9 HE3 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.0-10.5 HE2 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.2-10.9 HB2 ASN 10 - HG2 LYS 13 far 0 77 0 - 8.3-11.9 HB2 SER 9 - HG2 LYS 13 far 0 71 0 - 8.9-10.9 HE3 LYS 12 - HG2 LYS 20 far 0 61 0 - 9.0-14.6 HE2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-15.2 HE3 LYS 90 - HG2 LYS 13 far 0 90 0 - 9.3-13.8 HE3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 527 from cnoeabs.peaks (7.55, 1.43, 25.00 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 14 + HG2 LYS 13 OK 100 100 100 100 4.0-5.0 6191=100, 6182/6176=90...(15) H LEU 14 - HG2 LYS 12 poor 18 92 20 - 6.2-7.1 H LYS 24 - HG2 LYS 20 far 8 51 15 - 5.7-7.5 H LEU 14 - HG2 LYS 20 far 0 62 0 - 9.5-12.2 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 1.9-3.7 6177=100, 6176/1.8=85...(22) H GLU 75 - HG2 LYS 73 poor 20 100 20 - 4.6-6.7 H GLU 17 - HG3 LYS 13 far 0 98 0 - 5.7-7.5 H ILE 15 - HG3 LYS 13 far 0 100 0 - 5.7-6.9 H SER 102 - HG3 LYS 53 far 0 53 0 - 5.7-9.8 H LYS 39 - HG2 LYS 73 far 0 99 0 - 8.1-11.8 H ILE 15 - HG3 LYS 33 far 0 94 0 - 9.5-11.1 H LYS 39 - HG3 LYS 33 far 0 92 0 - 10.0-11.1 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 9 assignments used, quality = 1.00: * HA LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.3 486=85, 518/1.8=50...(39) HA LYS 47 + HG2 LYS 47 OK 97 97 100 100 2.6-4.0 2126=59, 2.9/6772=40...(55) HA LYS 73 + HG2 LYS 73 OK 88 94 95 99 2.4-4.2 3231=51, 3.0/7207=39...(43) HA GLU 23 - HG3 LYS 24 far 0 95 0 - 5.1-7.8 HA MET 1 - HG3 LYS 53 far 0 60 0 - 5.5-9.5 HA GLN 72 - HG2 LYS 73 far 0 100 0 - 5.7-7.3 HA GLU 99 - HG3 LYS 53 far 0 38 0 - 9.0-11.1 HA MET 1 - HG2 LYS 47 far 0 99 0 - 9.7-15.6 HA GLU 98 - HG3 LYS 53 far 0 36 0 - 10.0-13.1 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 20 assignments used, quality = 1.00: HB3 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.5-3.0 3.0=77, 3.0/486=34...(50) * HB2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.4-3.0 3.0=77, 3.0/486=34...(50) HB3 LYS 47 + HG2 LYS 47 OK 97 98 100 98 2.3-3.0 3.0=77, 2146/6772=24...(64) HB2 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.5-3.0 2.8=87, 3.0/1418=33...(36) HB3 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.6-3.0 2.8=87, 3.0/1418=33...(36) HB2 LYS 20 - HG3 LYS 24 far 0 76 0 - 4.0-7.1 HB3 LYS 20 - HG3 LYS 24 far 0 88 0 - 4.4-8.7 HB2 GLU 43 - HG2 LYS 47 far 0 98 0 - 4.8-10.0 HB VAL 32 - HG3 LYS 33 far 0 77 0 - 5.3-6.0 HB2 MET 1 - HG3 LYS 53 far 0 45 0 - 5.7-9.6 HB3 LEU 14 - HG3 LYS 13 far 0 97 0 - 5.9-7.7 HB2 LYS 94 - HG3 LYS 24 far 0 96 0 - 6.3-9.8 HB VAL 54 - HG3 LYS 53 far 0 38 0 - 6.9-8.4 HB ILE 8 - HG3 LYS 33 far 0 81 0 - 7.4-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 85 0 - 7.5-10.2 HB2 ARG 19 - HG3 LYS 24 far 0 80 0 - 8.1-11.2 HB3 ARG 19 - HG3 LYS 24 far 0 92 0 - 8.1-12.1 HG LEU 42 - HG2 LYS 73 far 0 91 0 - 8.7-11.7 HB2 GLU 17 - HG3 LYS 24 far 0 79 0 - 8.9-12.9 HB3 LYS 20 - HG3 LYS 13 far 0 94 0 - 9.8-13.5 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 20 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.5-3.0 3.0=77, 3.0/486=34...(50) HB2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.4-3.0 3.0=77, 3.0/486=34...(50) HB3 LYS 47 + HG2 LYS 47 OK 96 98 100 98 2.3-3.0 3.0=77, 2146/6772=24...(64) HB3 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.6-3.0 2.8=87, 3.0/1418=33...(36) HB2 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.5-3.0 2.8=87, 3.0/1418=33...(36) HB2 LYS 20 - HG3 LYS 24 far 0 79 0 - 4.0-7.1 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 4.4-8.7 HB2 GLU 43 - HG2 LYS 47 far 0 98 0 - 4.8-10.0 HB VAL 32 - HG3 LYS 33 far 0 74 0 - 5.3-6.0 HB2 MET 1 - HG3 LYS 53 far 0 43 0 - 5.7-9.6 HB3 LEU 14 - HG3 LYS 13 far 0 98 0 - 5.9-7.7 HB2 LYS 94 - HG3 LYS 24 far 0 95 0 - 6.3-9.8 HB VAL 54 - HG3 LYS 53 far 0 40 0 - 6.9-8.4 HB ILE 8 - HG3 LYS 33 far 0 84 0 - 7.4-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 82 0 - 7.5-10.2 HB2 ARG 19 - HG3 LYS 24 far 0 83 0 - 8.1-11.2 HB3 ARG 19 - HG3 LYS 24 far 0 91 0 - 8.1-12.1 HG LEU 42 - HG2 LYS 73 far 0 93 0 - 8.7-11.7 HB2 GLU 17 - HG3 LYS 24 far 0 76 0 - 8.9-12.9 HB3 LYS 20 - HG3 LYS 13 far 0 92 0 - 9.8-13.5 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 23 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 89 2.3-3.0 3.0=53, 1.8/2453=14...(33) HG2 LYS 53 + HG3 LYS 53 OK 36 36 100 100 1.8-1.8 1.8=100 HG3 LYS 39 - HG2 LYS 73 far 0 98 0 - 5.0-10.2 HG13 ILE 52 - HG3 LYS 53 far 0 43 0 - 5.6-6.9 QB ALA 22 - HG3 LYS 24 far 0 96 0 - 5.6-8.0 HG2 LYS 20 - HG3 LYS 24 far 0 76 0 - 5.9-8.7 QB ALA 71 - HG2 LYS 73 far 0 91 0 - 6.0-7.7 HG2 LYS 12 - HG3 LYS 13 far 0 96 0 - 6.2-7.9 HG13 ILE 76 - HG2 LYS 73 far 0 99 0 - 6.2-11.5 HG13 ILE 52 - HG2 LYS 47 far 0 80 0 - 6.7-10.4 HG2 LYS 12 - HG3 LYS 33 far 0 88 0 - 7.5-9.6 HG13 ILE 76 - HG2 LYS 47 far 0 99 0 - 7.6-11.7 HG LEU 38 - HG3 LYS 33 far 0 69 0 - 7.8-11.0 HB2 LEU 27 - HG3 LYS 24 far 0 76 0 - 7.9-9.9 QB ALA 71 - HG3 LYS 53 far 0 50 0 - 8.0-10.9 HB2 LEU 38 - HG3 LYS 33 far 0 76 0 - 8.2-11.0 HD3 LYS 40 - HG3 LYS 33 far 0 59 0 - 8.6-11.3 HD2 LYS 40 - HG3 LYS 33 far 0 61 0 - 8.7-12.7 HB2 LEU 38 - HG2 LYS 73 far 0 84 0 - 8.9-12.5 HG12 ILE 7 - HG3 LYS 33 far 0 93 0 - 9.1-10.9 HG LEU 38 - HG2 LYS 73 far 0 78 0 - 9.3-13.0 HG2 LYS 20 - HG3 LYS 13 far 0 82 0 - 9.4-12.9 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 37 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...(42) HD3 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.2-3.0 3.0=57, 487/486=11...(43) HD3 LYS 24 + HG3 LYS 24 OK 89 96 100 93 2.2-3.0 3.0=57, 1121/1.8=12...(54) HD2 LYS 24 + HG3 LYS 24 OK 88 96 100 92 2.4-3.0 3.0=57, 1121/1.8=11...(49) HD3 LYS 47 + HG2 LYS 47 OK 85 91 100 94 2.2-3.0 3.0=56, 2195/1.8=9...(72) HD2 LYS 47 + HG2 LYS 47 OK 84 90 100 93 2.4-3.0 3.0=56, 2195/1.8=9...(62) HD3 LYS 33 + HG3 LYS 33 OK 73 77 100 94 2.5-2.9 3.0=56, 1483/1.8=18...(46) HD2 LYS 33 + HG3 LYS 33 OK 72 77 100 94 2.4-2.9 3.0=56, 1483/1.8=18...(47) HD2 LYS 73 + HG2 LYS 73 OK 65 70 100 92 2.2-3.0 3.0=57, 1.8/3297=13...(54) HD3 LYS 73 + HG2 LYS 73 OK 61 66 100 93 2.4-3.0 3.0=57, 1.8/3297=13...(58) HB3 LYS 53 + HG3 LYS 53 OK 49 54 100 91 2.2-3.0 3.0=56, 2451/3.0=26...(24) HG LEU 70 - HG2 LYS 73 far 0 100 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 95 0 - 5.0-7.6 HG3 LYS 20 - HG3 LYS 24 far 0 77 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 93 0 - 5.9-7.7 HB ILE 52 - HG3 LYS 53 far 0 39 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 100 0 - 6.1-9.0 HB ILE 52 - HG2 LYS 47 far 0 75 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 77 0 - 6.4-10.2 HB ILE 15 - HG3 LYS 13 far 0 79 0 - 6.7-7.8 HD2 LYS 20 - HG3 LYS 24 far 0 82 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 99 0 - 6.9-8.7 HD3 LYS 66 - HG2 LYS 73 far 0 100 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 94 0 - 7.3-10.9 HB2 LEU 2 - HG3 LYS 53 far 0 60 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 47 far 0 99 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 96 0 - 7.9-12.9 HD2 LYS 90 - HG3 LYS 24 far 0 54 0 - 7.9-13.8 HB ILE 15 - HG3 LYS 33 far 0 69 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 94 0 - 7.9-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 84 0 - 8.0-12.9 HD2 LYS 20 - HG3 LYS 13 far 0 88 0 - 8.2-12.0 HG12 ILE 15 - HG3 LYS 13 far 0 100 0 - 8.8-10.4 HG3 LYS 20 - HG3 LYS 13 far 0 84 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 86 0 - 9.4-11.8 HD3 LYS 90 - HG3 LYS 13 far 0 100 0 - 9.7-15.3 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 37 assignments used, quality = 1.00: * HD3 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.2-3.0 3.0=57, 488/486=11...(43) HD2 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.4-3.0 3.0=57, 488/486=11...(42) HD3 LYS 24 + HG3 LYS 24 OK 89 96 100 93 2.2-3.0 3.0=57, 1121/1.8=11...(54) HD2 LYS 24 + HG3 LYS 24 OK 88 95 100 92 2.4-3.0 3.0=57, 1121/1.8=11...(49) HD3 LYS 47 + HG2 LYS 47 OK 83 89 100 94 2.2-3.0 3.0=56, 2195/1.8=9...(72) HD2 LYS 47 + HG2 LYS 47 OK 82 88 100 93 2.4-3.0 3.0=56, 2195/1.8=9...(62) HD3 LYS 33 + HG3 LYS 33 OK 75 80 100 94 2.5-2.9 3.0=56, 1483/1.8=19...(46) HD2 LYS 33 + HG3 LYS 33 OK 75 80 100 94 2.4-2.9 3.0=56, 1483/1.8=19...(47) HD2 LYS 73 + HG2 LYS 73 OK 61 66 100 92 2.2-3.0 3.0=57, 1.8/3297=13...(54) HD3 LYS 73 + HG2 LYS 73 OK 58 62 100 93 2.4-3.0 3.0=57, 1.8/3297=13...(58) HB3 LYS 53 + HG3 LYS 53 OK 48 53 100 90 2.2-3.0 3.0=56, 2451/3.0=25...(24) HG LEU 70 - HG2 LYS 73 far 0 99 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 97 0 - 5.0-7.6 HG3 LYS 20 - HG3 LYS 24 far 0 74 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 92 0 - 5.9-7.7 HB ILE 52 - HG3 LYS 53 far 0 37 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 100 0 - 6.1-9.0 HB ILE 52 - HG2 LYS 47 far 0 71 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 74 0 - 6.4-10.2 HB ILE 15 - HG3 LYS 13 far 0 82 0 - 6.7-7.8 HD2 LYS 20 - HG3 LYS 24 far 0 79 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 99 0 - 6.9-8.7 HD3 LYS 66 - HG2 LYS 73 far 0 100 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 94 0 - 7.3-10.9 HB2 LEU 2 - HG3 LYS 53 far 0 60 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 47 far 0 99 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 96 0 - 7.9-12.9 HD2 LYS 90 - HG3 LYS 24 far 0 58 0 - 7.9-13.8 HB ILE 15 - HG3 LYS 33 far 0 73 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 94 0 - 7.9-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 81 0 - 8.0-12.9 HD2 LYS 20 - HG3 LYS 13 far 0 85 0 - 8.2-12.0 HG12 ILE 15 - HG3 LYS 13 far 0 99 0 - 8.8-10.4 HG3 LYS 20 - HG3 LYS 13 far 0 81 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 84 0 - 9.4-11.8 HD3 LYS 90 - HG3 LYS 13 far 0 100 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 536 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.30 A): 8 out of 23 assignments used, quality = 1.00: * HE2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.6-4.1 3.8=65, 474/1.8=21...(75) HE2 LYS 73 + HG2 LYS 73 OK 98 98 100 99 2.0-4.0 4.0=56, 3.0/3297=15...(112) HE2 LYS 24 + HG3 LYS 24 OK 96 96 100 99 2.2-4.1 3.7=70, 12306/3.7=15...(103) HE3 LYS 73 + HG2 LYS 73 OK 95 96 100 99 2.2-3.9 4.0=56, 3.0/3297=15...(109) HE3 LYS 47 + HG2 LYS 47 OK 95 96 100 100 2.1-3.8 3.8=67, 2176/1.8=14...(127) HE2 LYS 47 + HG2 LYS 47 OK 90 96 95 100 2.0-4.2 3.8=67, 2206/1.8=18...(127) HE3 LYS 13 + HG3 LYS 13 OK 89 100 90 99 2.1-4.2 3.8=65, 576/1.8=21...(75) HE3 LYS 24 + HG3 LYS 24 OK 82 96 85 99 2.1-4.2 3.7=70, 1143/1.8=16...(103) HB3 ASP 11 - HG3 LYS 13 poor 14 70 20 - 3.7-6.9 HG2 MET 21 - HG3 LYS 24 far 0 86 0 - 4.6-8.5 HB2 ASN 51 - HG3 LYS 53 far 0 55 0 - 4.8-7.3 HE3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.4-10.6 HB2 PHE 45 - HG2 LYS 47 far 0 86 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.1-8.7 HE3 LYS 12 - HG3 LYS 33 far 0 93 0 - 7.5-12.5 HB2 SER 9 - HG3 LYS 33 far 0 66 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 75 0 - 8.0-10.5 HB2 ASN 10 - HG3 LYS 33 far 0 64 0 - 8.1-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 59 0 - 8.1-9.4 HB2 ASN 10 - HG3 LYS 13 far 0 73 0 - 8.2-12.0 HE3 LYS 90 - HG3 LYS 13 far 0 87 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 80 0 - 8.5-13.8 HB2 PHE 45 - HG3 LYS 53 far 0 47 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 537 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.30 A): 8 out of 24 assignments used, quality = 1.00: HE2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.6-4.1 3.8=65, 474/1.8=21...(75) HE2 LYS 73 + HG2 LYS 73 OK 98 99 100 99 2.0-4.0 4.0=56, 3.0/3297=15...(112) HE3 LYS 73 + HG2 LYS 73 OK 96 97 100 99 2.2-3.9 4.0=56, 3.0/3297=15...(109) HE2 LYS 24 + HG3 LYS 24 OK 96 96 100 99 2.2-4.1 3.7=70, 12306/3.7=15...(103) HE3 LYS 47 + HG2 LYS 47 OK 94 94 100 100 2.1-3.8 3.8=67, 2177/1.8=14...(127) HE2 LYS 47 + HG2 LYS 47 OK 89 94 95 100 2.0-4.2 3.8=67, 2206/1.8=17...(127) * HE3 LYS 13 + HG3 LYS 13 OK 89 100 90 99 2.1-4.2 3.8=65, 576/1.8=21...(75) HE3 LYS 24 + HG3 LYS 24 OK 81 96 85 99 2.1-4.2 3.7=70, 1143/1.8=16...(103) HB3 ASP 11 - HG3 LYS 13 poor 13 65 20 - 3.7-6.9 HG2 MET 21 - HG3 LYS 24 far 0 88 0 - 4.6-8.5 HB2 ASN 51 - HG3 LYS 53 far 0 56 0 - 4.8-7.3 HE2 LYS 94 - HG3 LYS 24 far 0 56 0 - 5.2-13.4 HE3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.4-10.6 HB2 PHE 45 - HG2 LYS 47 far 0 83 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 98 0 - 6.1-8.7 HE3 LYS 12 - HG3 LYS 33 far 0 93 0 - 7.5-12.5 HB2 SER 9 - HG3 LYS 33 far 0 62 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 71 0 - 8.0-10.5 HB2 ASN 10 - HG3 LYS 33 far 0 68 0 - 8.1-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 58 0 - 8.1-9.4 HB2 ASN 10 - HG3 LYS 13 far 0 77 0 - 8.2-12.0 HE3 LYS 90 - HG3 LYS 13 far 0 90 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 83 0 - 8.5-13.8 HB2 PHE 45 - HG3 LYS 53 far 0 45 0 - 9.4-10.7 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 3.9-5.0 6182/6177=79, 3.6/486=77...(17) H LYS 24 + HG3 LYS 24 OK 84 84 100 100 1.9-4.6 6386=85, 6385/1.8=82...(25) H ILE 76 - HG2 LYS 73 far 0 99 0 - 6.2-9.0 H LEU 38 - HG3 LYS 33 far 0 81 0 - 7.2-8.3 H ILE 76 - HG3 LYS 53 far 0 58 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 539 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 4.24 A): 4 out of 22 assignments used, quality = 1.00: * H LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-4.8 6177/3.0=71, 6176/3.0=69...(31) H LYS 13 + HD3 LYS 13 OK 95 100 95 100 2.2-5.2 6177/3.0=71, 6176/3.0=69...(31) H LYS 90 + HB3 ARG 91 OK 24 36 75 89 4.4-6.3 7431/3.9=51, 7453/4.3=42...(11) H GLU 17 + HD2 LYS 20 OK 23 53 65 66 3.5-6.7 6250/12058=18, ~894=9...(19) H GLU 17 - HD3 LYS 20 poor 19 47 60 66 3.4-7.7 6250/12058=16, ~894=9...(19) H LYS 13 - HD3 LYS 12 far 14 96 15 - 4.5-6.6 H LYS 13 - HD2 LYS 12 far 10 96 10 - 4.9-6.7 H GLU 17 - HD2 LYS 13 far 5 98 5 - 4.2-8.0 H GLU 17 - HD3 LYS 13 far 5 98 5 - 4.9-8.1 H ILE 15 - HD2 LYS 12 far 0 96 0 - 5.3-8.2 H ILE 15 - HD3 LYS 12 far 0 96 0 - 5.3-8.0 H ILE 15 - HD2 LYS 13 far 0 100 0 - 5.8-7.8 H ILE 15 - HD3 LYS 13 far 0 100 0 - 6.0-8.0 H GLU 17 - HD2 LYS 12 far 0 92 0 - 6.9-10.8 H GLU 17 - HD3 LYS 12 far 0 92 0 - 7.0-10.7 H ILE 15 - HD3 LYS 20 far 0 51 0 - 7.6-11.2 H ILE 15 - HD2 LYS 20 far 0 57 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 34 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 38 0 - 8.1-11.6 H LYS 13 - HD3 LYS 20 far 0 51 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 57 0 - 8.9-11.7 H LYS 90 - HD2 LYS 13 far 0 79 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 540 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 3.70 A): 3 out of 15 assignments used, quality = 1.00: * HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.0-4.5 486/3.0=63, 518/3.0=54...(63) HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.2 486/3.0=63, 518/3.0=54...(63) HA LYS 47 + HD2 LYS 47 OK 24 47 50 100 2.1-5.5 2126/3.0=41, 2127/3.0=40...(102) HA LYS 47 - HD3 LYS 47 poor 12 49 25 - 3.6-5.5 HA GLU 23 - HD2 LYS 24 far 0 99 0 - 4.6-8.7 HA GLU 23 - HD3 LYS 24 far 0 99 0 - 4.8-8.1 HA LYS 13 - HD3 LYS 12 far 0 96 0 - 5.5-7.9 HA LYS 13 - HD2 LYS 12 far 0 96 0 - 6.0-7.9 HA LYS 13 - HD3 LYS 20 far 0 51 0 - 6.3-10.0 HA LYS 13 - HD2 LYS 20 far 0 57 0 - 6.4-9.1 HA GLU 23 - HD3 LYS 20 far 0 49 0 - 7.3-10.4 HB3 SER 85 - HB3 ARG 91 far 0 29 0 - 7.4-10.4 HA GLU 23 - HD2 LYS 20 far 0 55 0 - 7.6-10.4 HB3 SER 85 - HD2 LYS 13 far 0 65 0 - 9.1-12.7 HB3 SER 85 - HD3 LYS 13 far 0 65 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 541 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.88 A): 14 out of 71 assignments used, quality = 1.00: * HB2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/487=17...(86) HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/487=17...(84) HB3 LYS 13 + HD2 LYS 13 OK 94 100 95 99 2.0-3.8 3.6=52, 3.0/487=17...(84) HB2 LYS 13 + HD3 LYS 13 OK 54 100 55 99 2.4-4.2 3.6=52, 3.0/487=17...(86) HB3 LYS 33 + HD2 LYS 33 OK 49 50 100 99 3.1-3.6 3.5=54, ~1420=18...(52) HB2 LYS 33 + HD2 LYS 33 OK 49 50 100 98 2.4-3.6 3.5=54, ~1420=18...(51) HB2 LYS 33 + HD3 LYS 33 OK 49 50 100 98 2.1-3.7 3.5=54, 3.0/1419=24...(49) HB3 LYS 47 + HD2 LYS 47 OK 48 49 100 98 2.0-3.7 3.9=39, 2146/6775=12...(108) HB3 LYS 33 + HD3 LYS 33 OK 46 50 95 98 2.1-3.8 3.5=54, 3.0/1419=24...(50) HB3 LYS 20 + HD3 LYS 20 OK 42 43 100 96 2.0-3.7 3.5=54, 871/5.9=11...(64) HB3 LYS 20 + HD2 LYS 20 OK 38 49 80 96 2.0-4.2 3.5=54, 2152/1.8=11...(64) HB3 LYS 47 + HD3 LYS 47 OK 37 50 75 98 2.3-4.2 3.9=39, 2153/1.8=13...(109) HB2 LYS 20 + HD2 LYS 20 OK 23 40 60 95 2.4-4.1 3.5=54, ~848=10...(58) HB2 LYS 20 + HD3 LYS 20 OK 22 36 65 95 2.3-4.2 3.5=54, ~848=10...(58) HB3 ARG 19 - HD2 LYS 20 far 8 53 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 7 47 15 - 2.9-8.1 HB2 LYS 20 - HD3 LYS 24 far 4 81 5 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 4 81 5 - 3.7-7.3 HB2 ARG 19 - HD3 LYS 20 far 4 38 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 44 5 - 3.3-7.2 HB3 LYS 20 - HD3 LYS 24 far 0 93 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 37 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 43 0 - 4.3-8.1 HB3 LYS 20 - HD2 LYS 24 far 0 92 0 - 5.0-8.4 HB2 GLU 43 - HD2 LYS 47 far 0 48 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 50 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 53 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 38 0 - 5.5-8.2 HB2 GLU 17 - HD2 LYS 13 far 0 85 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 97 0 - 6.2-8.6 HB3 LEU 14 - HD2 LYS 12 far 0 91 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 97 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 85 0 - 6.9-10.7 HB2 ARG 19 - HD3 LYS 12 far 0 80 0 - 7.0-12.9 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.0-9.3 HB3 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.2-12.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 91 0 - 7.3-9.8 HB2 GLU 17 - HB3 ARG 91 far 0 40 0 - 7.5-10.8 HB2 ARG 19 - HD2 LYS 24 far 0 85 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 96 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 97 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 99 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 38 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 38 0 - 7.8-8.5 HB3 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.9-10.9 HB2 ARG 19 - HD3 LYS 24 far 0 86 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 80 0 - 8.1-12.9 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 94 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 94 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.5-13.1 HB2 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.6-11.8 HB ILE 8 - HD2 LYS 33 far 0 40 0 - 8.9-11.8 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.9-13.0 HB2 GLU 17 - HD3 LYS 24 far 0 84 0 - 8.9-12.8 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 46 0 - 9.2-13.6 HB3 ARG 19 - HD2 LYS 13 far 0 98 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 52 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 87 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 82 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 97 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 40 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 542 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.88 A): 14 out of 71 assignments used, quality = 1.00: HB2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/487=17...(86) HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/487=17...(84) * HB3 LYS 13 + HD2 LYS 13 OK 94 100 95 99 2.0-3.8 3.6=52, 3.0/487=17...(84) HB2 LYS 13 + HD3 LYS 13 OK 54 100 55 99 2.4-4.2 3.6=52, 3.0/487=17...(86) HB3 LYS 33 + HD2 LYS 33 OK 49 50 100 99 3.1-3.6 3.5=54, ~1420=18...(52) HB2 LYS 33 + HD2 LYS 33 OK 49 50 100 98 2.4-3.6 3.5=54, ~1420=18...(51) HB2 LYS 33 + HD3 LYS 33 OK 49 50 100 98 2.1-3.7 3.5=54, 3.0/1419=24...(49) HB3 LYS 47 + HD2 LYS 47 OK 47 48 100 98 2.0-3.7 3.9=39, 2146/6775=12...(108) HB3 LYS 33 + HD3 LYS 33 OK 46 50 95 98 2.1-3.8 3.5=54, 3.0/1419=24...(50) HB3 LYS 20 + HD3 LYS 20 OK 40 42 100 96 2.0-3.7 3.5=54, 871/5.9=10...(64) HB3 LYS 47 + HD3 LYS 47 OK 37 50 75 98 2.3-4.2 3.9=39, 2153/1.8=13...(109) HB3 LYS 20 + HD2 LYS 20 OK 36 47 80 96 2.0-4.2 3.5=54, 2152/1.8=11...(64) HB2 LYS 20 + HD2 LYS 20 OK 24 43 60 95 2.4-4.1 3.5=54, ~848=10...(58) HB2 LYS 20 + HD3 LYS 20 OK 23 37 65 95 2.3-4.2 3.5=54, ~848=10...(58) HB3 ARG 19 - HD2 LYS 20 far 8 51 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 7 45 15 - 2.9-8.1 HB2 LYS 20 - HD3 LYS 24 far 4 84 5 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 4 84 5 - 3.7-7.3 HB2 ARG 19 - HD3 LYS 20 far 4 40 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 46 5 - 3.3-7.2 HB3 LYS 20 - HD3 LYS 24 far 0 91 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 36 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 40 0 - 4.3-8.1 HB3 LYS 20 - HD2 LYS 24 far 0 90 0 - 5.0-8.4 HB2 GLU 43 - HD2 LYS 47 far 0 49 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 50 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 52 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 36 0 - 5.5-8.2 HB2 GLU 17 - HD2 LYS 13 far 0 82 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 98 0 - 6.2-8.6 HB3 LEU 14 - HD2 LYS 12 far 0 92 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 98 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 82 0 - 6.9-10.7 HB2 ARG 19 - HD3 LYS 12 far 0 83 0 - 7.0-12.9 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.0-9.3 HB3 ARG 19 - HD2 LYS 12 far 0 90 0 - 7.2-12.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 92 0 - 7.3-9.8 HB2 GLU 17 - HB3 ARG 91 far 0 38 0 - 7.5-10.8 HB2 ARG 19 - HD2 LYS 24 far 0 88 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 95 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 95 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 99 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 90 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 7.8-8.5 HB3 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.9-10.9 HB2 ARG 19 - HD3 LYS 24 far 0 88 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 83 0 - 8.1-12.9 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 92 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 92 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.5-13.1 HB2 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.6-11.8 HB ILE 8 - HD2 LYS 33 far 0 42 0 - 8.9-11.8 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.9-13.0 HB2 GLU 17 - HD3 LYS 24 far 0 81 0 - 8.9-12.8 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 47 0 - 9.2-13.6 HB3 ARG 19 - HD2 LYS 13 far 0 96 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 53 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 90 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 85 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 85 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 96 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 42 0 - 9.7-11.6 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 43 assignments used, quality = 1.00: * HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.5-3.0 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 2.4-3.0 3.0=100 HG3 ARG 91 + HB3 ARG 91 OK 43 43 100 100 2.2-2.9 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 40 40 100 100 2.2-2.9 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 36 36 100 100 2.3-3.0 2.8=100 HG2 LYS 20 - HD3 LYS 24 far 0 81 0 - 5.3-9.6 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.7-9.5 HG2 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 50 0 - 6.0-8.8 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.1-9.8 QB ALA 22 - HD2 LYS 20 far 0 56 0 - 6.1-8.7 QB ALA 22 - HD2 LYS 24 far 0 99 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 99 0 - 6.5-8.7 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 35 0 - 6.8-11.5 HG2 LYS 12 - HD2 LYS 33 far 0 45 0 - 7.3-10.0 HG2 LYS 12 - HD3 LYS 33 far 0 45 0 - 7.3-10.2 HG13 ILE 52 - HD3 LYS 47 far 0 37 0 - 7.5-12.1 HD3 LYS 40 - HD2 LYS 33 far 0 27 0 - 8.4-12.0 HD2 LYS 40 - HD2 LYS 33 far 0 28 0 - 8.4-12.7 HB2 LEU 27 - HD2 LYS 24 far 0 81 0 - 8.6-11.0 HG2 LYS 20 - HD3 LYS 13 far 0 82 0 - 8.7-13.0 HG2 LYS 12 - HD2 LYS 20 far 0 51 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 56 0 - 8.9-12.4 HG2 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 51 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 81 0 - 9.1-10.4 HG LEU 29 - HD3 LYS 20 far 0 50 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 49 0 - 9.4-12.2 HG2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.5-14.5 HD3 LYS 40 - HD3 LYS 33 far 0 27 0 - 9.7-12.1 HG LEU 38 - HD2 LYS 33 far 0 33 0 - 9.8-13.3 HG2 LYS 12 - HD3 LYS 20 far 0 45 0 - 9.8-13.3 HG LEU 38 - HD3 LYS 33 far 0 33 0 - 9.8-13.2 HG12 ILE 7 - HD2 LYS 12 far 0 95 0 - 9.9-13.7 HD2 LYS 40 - HD3 LYS 33 far 0 28 0 - 9.9-13.5 QB ALA 22 - HB3 ARG 91 far 0 53 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.51 A): 9 out of 36 assignments used, quality = 1.00: * HG3 LYS 13 + HD2 LYS 13 OK 91 100 100 91 2.4-3.0 3.0=62, 486/487=11...(35) HG3 LYS 13 + HD3 LYS 13 OK 91 100 100 91 2.2-3.0 3.0=62, 486/487=11...(35) HG3 LYS 24 + HD3 LYS 24 OK 91 98 100 93 2.2-3.0 3.0=62, 1096/4.9=12...(46) HG3 LYS 24 + HD2 LYS 24 OK 90 97 100 93 2.4-3.0 3.0=62, 1096/4.9=12...(40) 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 2.2-3.0 3.0=60, 1.8/2175=11...(64) HG2 LYS 47 + HD2 LYS 47 OK 46 49 100 94 2.4-3.0 3.0=60, 1.8/2175=11...(60) HG3 LYS 33 + HD3 LYS 33 OK 44 49 100 91 2.5-2.9 3.0=61, 1418/1419=16...(36) HG3 LYS 33 + HD2 LYS 33 OK 44 49 100 91 2.4-2.9 3.0=61, 1495/3.0=13...(37) HB2 LEU 14 - HD2 LYS 13 far 0 85 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 43 0 - 5.7-12.1 HG3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-9.0 HG LEU 2 - HD3 LYS 47 far 0 45 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 85 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 48 0 - 6.4-10.2 HG3 LYS 24 - HD2 LYS 20 far 0 54 0 - 6.8-9.4 HG3 LYS 33 - HD2 LYS 12 far 0 95 0 - 7.3-10.9 HB2 LEU 14 - HD2 LYS 12 far 0 78 0 - 7.7-11.1 HG LEU 57 - HB3 ARG 91 far 0 54 0 - 7.7-9.7 HG3 LYS 33 - HD3 LYS 12 far 0 95 0 - 7.9-12.0 HG3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 78 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.2-12.0 HD3 LYS 40 - HD2 LYS 33 far 0 30 0 - 8.4-12.0 HD2 LYS 40 - HD2 LYS 33 far 0 29 0 - 8.4-12.7 HG3 ARG 30 - HD2 LYS 33 far 0 29 0 - 9.3-12.4 HB2 LEU 14 - HD3 LYS 20 far 0 37 0 - 9.4-13.1 HB2 LEU 14 - HD2 LYS 20 far 0 43 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 78 0 - 9.7-13.5 HD3 LYS 40 - HD3 LYS 33 far 0 30 0 - 9.7-12.1 HG LEU 38 - HD2 LYS 33 far 0 24 0 - 9.8-13.3 HG LEU 38 - HD3 LYS 33 far 0 24 0 - 9.8-13.2 HD2 LYS 40 - HD3 LYS 33 far 0 29 0 - 9.9-13.5 HB ILE 7 - HD2 LYS 20 far 0 43 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 30 0 - 10.0-17.2 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): 14 out of 64 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) * HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=94, 474/3.0=12...(67) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=12...(67) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1143/3.0=8...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 1143/3.0=8...(83) HE3 LYS 12 + HD3 LYS 12 OK 95 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 95 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(47) HE2 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2176/3.0=8...(79) HE2 LYS 47 + HD2 LYS 47 OK 45 46 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD2 LYS 47 OK 45 46 100 99 2.2-3.0 3.0=91, 2176/3.0=8...(78) HE3 LYS 90 - HB3 ARG 91 far 2 41 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 69 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 38 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 51 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 70 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 45 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 42 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 57 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 68 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 51 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 49 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 91 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 40 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 57 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 47 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 51 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 49 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 57 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 39 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 68 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 49 0 - 7.1-13.0 HE3 LYS 90 - HD3 LYS 13 far 0 87 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 30 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 30 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 87 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 50 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 56 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 73 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 75 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 86 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 31 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 31 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 75 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 73 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 85 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 548 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 14 out of 67 assignments used, quality = 1.00: * HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=94, 576/3.0=12...(67) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.4-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.2-3.0 3.0=91, 1143/3.0=8...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 1143/3.0=8...(83) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 47 + HD3 LYS 47 OK 45 46 100 99 2.3-3.0 3.0=91, 2176/3.0=8...(79) HE2 LYS 47 + HD3 LYS 47 OK 45 46 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE2 LYS 47 + HD2 LYS 47 OK 44 45 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD2 LYS 47 OK 44 45 100 99 2.2-3.0 3.0=91, 2176/3.0=8...(78) HE3 LYS 90 - HB3 ARG 91 far 2 43 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 65 0 - 4.3-8.1 HE2 LYS 94 - HB3 ARG 91 far 0 27 0 - 4.4-9.6 HE3 LYS 90 - HD3 LYS 20 far 0 40 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 50 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 65 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 46 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 59 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 59 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 57 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 65 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 46 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 50 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 50 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 48 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 93 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 38 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 57 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 51 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 49 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 57 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 70 0 - 6.7-10.9 HE2 LYS 94 - HD2 LYS 24 far 0 60 0 - 6.8-12.7 HB2 PHE 45 - HD2 LYS 47 far 0 37 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 70 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 92 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 65 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 49 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 60 0 - 7.2-12.9 HE3 LYS 90 - HD3 LYS 13 far 0 89 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 32 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 32 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 90 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 49 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 56 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 77 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 71 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 88 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 71 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 77 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 88 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 549 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 4.46 A): 5 out of 13 assignments used, quality = 0.99: H LYS 24 + HD3 LYS 24 OK 85 90 95 100 2.9-5.4 6385/3.0=65, 6386/3.0=60...(26) H LYS 24 + HD2 LYS 24 OK 80 89 90 100 2.0-5.4 6385/3.0=65, 6386/3.0=60...(26) H LEU 14 + HD3 LYS 13 OK 53 100 55 96 4.4-6.1 6191/3.0=59, 6182/6.0=38...(9) * H LEU 14 + HD2 LYS 13 OK 48 100 50 96 4.1-6.0 6191/3.0=59, 6182/6.0=38...(9) H GLU 88 + HB3 ARG 91 OK 27 46 60 98 4.6-7.1 3.0/3871=52, ~4024=47...(20) H LEU 14 - HD2 LYS 12 far 0 96 0 - 5.9-8.8 H LEU 14 - HD3 LYS 12 far 0 96 0 - 6.3-8.6 H LYS 24 - HD3 LYS 20 far 0 41 0 - 6.5-9.2 H LYS 24 - HD2 LYS 20 far 0 46 0 - 6.5-9.4 H LEU 14 - HD3 LYS 20 far 0 51 0 - 8.2-12.2 H LEU 14 - HD2 LYS 20 far 0 57 0 - 8.5-11.4 H LEU 38 - HD2 LYS 33 far 0 40 0 - 8.9-10.4 H LEU 38 - HD3 LYS 33 far 0 40 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 4.24 A): 4 out of 22 assignments used, quality = 1.00: H LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.2-4.8 6177/3.0=71, 6176/3.0=69...(31) * H LYS 13 + HD3 LYS 13 OK 95 100 95 100 2.2-5.2 6177/3.0=71, 6176/3.0=69...(31) H LYS 90 + HB3 ARG 91 OK 23 34 75 89 4.4-6.3 7431/3.9=51, 7453/4.3=42...(11) H GLU 17 + HD2 LYS 20 OK 21 49 65 66 3.5-6.7 6250/12058=17, ~894=9...(19) H GLU 17 - HD3 LYS 20 poor 17 43 60 66 3.4-7.7 6250/12058=15, ~894=9...(19) H LYS 13 - HD3 LYS 12 far 14 96 15 - 4.5-6.6 H LYS 13 - HD2 LYS 12 far 10 96 10 - 4.9-6.7 H GLU 17 - HD2 LYS 13 far 5 98 5 - 4.2-8.0 H GLU 17 - HD3 LYS 13 far 5 98 5 - 4.9-8.1 H ILE 15 - HD2 LYS 12 far 0 96 0 - 5.3-8.2 H ILE 15 - HD3 LYS 12 far 0 96 0 - 5.3-8.0 H ILE 15 - HD2 LYS 13 far 0 100 0 - 5.8-7.8 H ILE 15 - HD3 LYS 13 far 0 100 0 - 6.0-8.0 H GLU 17 - HD2 LYS 12 far 0 92 0 - 6.9-10.8 H GLU 17 - HD3 LYS 12 far 0 92 0 - 7.0-10.7 H ILE 15 - HD3 LYS 20 far 0 46 0 - 7.6-11.2 H ILE 15 - HD2 LYS 20 far 0 53 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 30 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 35 0 - 8.1-11.6 H LYS 13 - HD3 LYS 20 far 0 46 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 53 0 - 8.9-11.7 H LYS 90 - HD2 LYS 13 far 0 79 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 551 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 3.70 A): 3 out of 15 assignments used, quality = 1.00: * HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.2-4.2 486/3.0=63, 518/3.0=54...(63) HA LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.0-4.5 486/3.0=63, 518/3.0=54...(63) HA LYS 47 + HD2 LYS 47 OK 22 44 50 100 2.1-5.5 2126/3.0=41, 2127/3.0=40...(102) HA LYS 47 - HD3 LYS 47 poor 11 46 25 - 3.6-5.5 HA GLU 23 - HD2 LYS 24 far 0 98 0 - 4.6-8.7 HA GLU 23 - HD3 LYS 24 far 0 98 0 - 4.8-8.1 HA LYS 13 - HD3 LYS 12 far 0 96 0 - 5.5-7.9 HA LYS 13 - HD2 LYS 12 far 0 96 0 - 6.0-7.9 HA LYS 13 - HD3 LYS 20 far 0 46 0 - 6.3-10.0 HA LYS 13 - HD2 LYS 20 far 0 53 0 - 6.4-9.1 HA GLU 23 - HD3 LYS 20 far 0 45 0 - 7.3-10.4 HB3 SER 85 - HB3 ARG 91 far 0 27 0 - 7.4-10.4 HA GLU 23 - HD2 LYS 20 far 0 51 0 - 7.6-10.4 HB3 SER 85 - HD2 LYS 13 far 0 65 0 - 9.1-12.7 HB3 SER 85 - HD3 LYS 13 far 0 65 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 552 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.88 A): 13 out of 71 assignments used, quality = 1.00: HB2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/488=17...(86) HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/488=17...(84) HB3 LYS 13 + HD2 LYS 13 OK 94 100 95 99 2.0-3.8 3.6=52, 3.0/488=17...(84) * HB2 LYS 13 + HD3 LYS 13 OK 54 100 55 99 2.4-4.2 3.6=52, 3.0/488=17...(86) HB3 LYS 33 + HD2 LYS 33 OK 53 54 100 99 3.1-3.6 3.5=54, ~1420=18...(52) HB2 LYS 33 + HD2 LYS 33 OK 53 54 100 99 2.4-3.6 3.5=54, ~1420=18...(51) HB2 LYS 33 + HD3 LYS 33 OK 53 54 100 98 2.1-3.7 3.5=54, 3.0/1419=25...(49) HB3 LYS 33 + HD3 LYS 33 OK 50 54 95 98 2.1-3.8 3.5=54, 3.0/1420=25...(50) HB3 LYS 47 + HD2 LYS 47 OK 45 45 100 98 2.0-3.7 3.9=39, 2146/6775=12...(108) HB3 LYS 20 + HD3 LYS 20 OK 38 39 100 96 2.0-3.7 3.5=54, 871/5.9=11...(64) HB3 LYS 20 + HD2 LYS 20 OK 35 45 80 96 2.0-4.2 3.5=54, 2152/1.8=11...(64) HB3 LYS 47 + HD3 LYS 47 OK 35 47 75 98 2.3-4.2 3.9=39, 2153/1.8=13...(109) HB2 LYS 20 + HD2 LYS 20 OK 21 37 60 95 2.4-4.1 3.5=54, ~848=10...(58) HB2 LYS 20 - HD3 LYS 20 poor 20 32 65 95 2.3-4.2 3.5=54, ~848=10...(58) HB3 ARG 19 - HD2 LYS 20 far 7 49 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 6 43 15 - 2.9-8.1 HB2 LYS 20 - HD3 LYS 24 far 4 80 5 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 4 79 5 - 3.7-7.3 HB2 ARG 19 - HD3 LYS 20 far 3 35 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 40 5 - 3.3-7.2 HB3 LYS 20 - HD3 LYS 24 far 0 92 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 34 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 39 0 - 4.3-8.1 HB3 LYS 20 - HD2 LYS 24 far 0 91 0 - 5.0-8.4 HB2 GLU 43 - HD2 LYS 47 far 0 45 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 46 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 50 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 36 0 - 5.5-8.2 HB2 GLU 17 - HD2 LYS 13 far 0 85 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 97 0 - 6.2-8.6 HB3 LEU 14 - HD2 LYS 12 far 0 91 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 97 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 85 0 - 6.9-10.7 HB2 ARG 19 - HD3 LYS 12 far 0 80 0 - 7.0-12.9 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.0-9.3 HB3 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.2-12.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 91 0 - 7.3-9.8 HB2 GLU 17 - HB3 ARG 91 far 0 38 0 - 7.5-10.8 HB2 ARG 19 - HD2 LYS 24 far 0 84 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 95 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 96 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 98 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 41 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 41 0 - 7.8-8.5 HB3 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.9-10.9 HB2 ARG 19 - HD3 LYS 24 far 0 85 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 80 0 - 8.1-12.9 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 94 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 94 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.5-13.1 HB2 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.6-11.8 HB ILE 8 - HD2 LYS 33 far 0 44 0 - 8.9-11.8 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.9-13.0 HB2 GLU 17 - HD3 LYS 24 far 0 83 0 - 8.9-12.8 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 42 0 - 9.2-13.6 HB3 ARG 19 - HD2 LYS 13 far 0 97 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 48 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 87 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 82 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 98 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 44 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 553 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.88 A): 14 out of 71 assignments used, quality = 1.00: HB2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/488=17...(86) * HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-3.7 3.6=52, 3.0/488=17...(84) HB3 LYS 13 + HD2 LYS 13 OK 94 100 95 99 2.0-3.8 3.6=52, 3.0/488=17...(84) HB2 LYS 13 + HD3 LYS 13 OK 54 100 55 99 2.4-4.2 3.6=52, 3.0/488=17...(86) HB3 LYS 33 + HD2 LYS 33 OK 53 54 100 99 3.1-3.6 3.5=54, ~1420=18...(52) HB2 LYS 33 + HD2 LYS 33 OK 53 54 100 99 2.4-3.6 3.5=54, ~1420=18...(51) HB2 LYS 33 + HD3 LYS 33 OK 53 54 100 98 2.1-3.7 3.5=54, 3.0/1420=25...(49) HB3 LYS 33 + HD3 LYS 33 OK 50 54 95 98 2.1-3.8 3.5=54, 3.0/1420=25...(50) HB3 LYS 47 + HD2 LYS 47 OK 44 45 100 98 2.0-3.7 3.9=39, 2146/6775=12...(108) HB3 LYS 20 + HD3 LYS 20 OK 36 38 100 96 2.0-3.7 3.5=54, 871/5.9=10...(64) HB3 LYS 47 + HD3 LYS 47 OK 34 46 75 98 2.3-4.2 3.9=39, 2153/1.8=13...(109) HB3 LYS 20 + HD2 LYS 20 OK 33 44 80 96 2.0-4.2 3.5=54, 2152/1.8=11...(64) HB2 LYS 20 + HD2 LYS 20 OK 22 39 60 95 2.4-4.1 3.5=54, ~848=10...(58) HB2 LYS 20 + HD3 LYS 20 OK 21 34 65 95 2.3-4.2 3.5=54, ~848=10...(58) HB3 ARG 19 - HD2 LYS 20 far 7 47 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 6 41 15 - 2.9-8.1 HB2 LYS 20 - HD3 LYS 24 far 4 83 5 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 4 82 5 - 3.7-7.3 HB2 ARG 19 - HD3 LYS 20 far 4 36 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 42 5 - 3.3-7.2 HB3 LYS 20 - HD3 LYS 24 far 0 90 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 32 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 37 0 - 4.3-8.1 HB3 LYS 20 - HD2 LYS 24 far 0 89 0 - 5.0-8.4 HB2 GLU 43 - HD2 LYS 47 far 0 45 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 47 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 49 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 34 0 - 5.5-8.2 HB2 GLU 17 - HD2 LYS 13 far 0 82 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 98 0 - 6.2-8.6 HB3 LEU 14 - HD2 LYS 12 far 0 92 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 98 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 82 0 - 6.9-10.7 HB2 ARG 19 - HD3 LYS 12 far 0 82 0 - 7.0-12.9 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.0-9.3 HB3 ARG 19 - HD2 LYS 12 far 0 90 0 - 7.2-12.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 92 0 - 7.3-9.8 HB2 GLU 17 - HB3 ARG 91 far 0 36 0 - 7.5-10.8 HB2 ARG 19 - HD2 LYS 24 far 0 87 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 94 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 98 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 95 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 98 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 39 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 90 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 39 0 - 7.8-8.5 HB3 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.9-10.9 HB2 ARG 19 - HD3 LYS 24 far 0 87 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 82 0 - 8.1-12.9 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 92 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 92 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.5-13.1 HB2 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.6-11.8 HB ILE 8 - HD2 LYS 33 far 0 45 0 - 8.9-11.8 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.9-13.0 HB2 GLU 17 - HD3 LYS 24 far 0 80 0 - 8.9-12.8 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 43 0 - 9.2-13.6 HB3 ARG 19 - HD2 LYS 13 far 0 96 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 49 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 89 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 85 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 85 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 96 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 45 0 - 9.7-11.6 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 43 assignments used, quality = 1.00: * HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HG3 ARG 91 + HB3 ARG 91 OK 40 40 100 100 2.2-2.9 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 37 37 100 100 2.2-2.9 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 32 32 100 100 2.3-3.0 2.8=100 HG2 LYS 20 - HD3 LYS 24 far 0 80 0 - 5.3-9.6 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.7-9.5 HG2 LYS 20 - HD2 LYS 24 far 0 79 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 46 0 - 6.0-8.8 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.1-9.8 QB ALA 22 - HD2 LYS 20 far 0 52 0 - 6.1-8.7 QB ALA 22 - HD2 LYS 24 far 0 98 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 99 0 - 6.5-8.7 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 33 0 - 6.8-11.5 HG2 LYS 12 - HD2 LYS 33 far 0 48 0 - 7.3-10.0 HG2 LYS 12 - HD3 LYS 33 far 0 48 0 - 7.3-10.2 HG13 ILE 52 - HD3 LYS 47 far 0 34 0 - 7.5-12.1 HD3 LYS 40 - HD2 LYS 33 far 0 30 0 - 8.4-12.0 HD2 LYS 40 - HD2 LYS 33 far 0 31 0 - 8.4-12.7 HB2 LEU 27 - HD2 LYS 24 far 0 79 0 - 8.6-11.0 HG2 LYS 20 - HD3 LYS 13 far 0 82 0 - 8.7-13.0 HG2 LYS 12 - HD2 LYS 20 far 0 47 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 52 0 - 8.9-12.4 HG2 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 48 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 80 0 - 9.1-10.4 HG LEU 29 - HD3 LYS 20 far 0 46 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 46 0 - 9.4-12.2 HG2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.5-14.5 HD3 LYS 40 - HD3 LYS 33 far 0 30 0 - 9.7-12.1 HG LEU 38 - HD2 LYS 33 far 0 36 0 - 9.8-13.3 HG2 LYS 12 - HD3 LYS 20 far 0 41 0 - 9.8-13.3 HG LEU 38 - HD3 LYS 33 far 0 36 0 - 9.8-13.2 HG12 ILE 7 - HD2 LYS 12 far 0 95 0 - 9.9-13.7 HD2 LYS 40 - HD3 LYS 33 far 0 31 0 - 9.9-13.5 QB ALA 22 - HB3 ARG 91 far 0 50 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 555 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.51 A): 9 out of 36 assignments used, quality = 1.00: * HG3 LYS 13 + HD3 LYS 13 OK 91 100 100 91 2.2-3.0 3.0=62, 486/488=11...(35) HG3 LYS 13 + HD2 LYS 13 OK 91 100 100 91 2.4-3.0 3.0=62, 486/488=11...(35) HG3 LYS 24 + HD3 LYS 24 OK 90 97 100 93 2.2-3.0 3.0=62, 1096/4.9=12...(46) HG3 LYS 24 + HD2 LYS 24 OK 89 96 100 93 2.4-3.0 3.0=62, 1096/4.9=12...(40) 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 2.5-2.9 3.0=61, 1418/1419=16...(36) HG3 LYS 33 + HD2 LYS 33 OK 48 53 100 91 2.4-2.9 3.0=61, 1495/3.0=13...(37) HG2 LYS 47 + HD3 LYS 47 OK 45 48 100 94 2.2-3.0 3.0=60, 1.8/2175=11...(64) HG2 LYS 47 + HD2 LYS 47 OK 43 46 100 94 2.4-3.0 3.0=60, 1.8/2175=11...(60) HB2 LEU 14 - HD2 LYS 13 far 0 85 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 40 0 - 5.7-12.1 HG3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-9.0 HG LEU 2 - HD3 LYS 47 far 0 42 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 85 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 44 0 - 6.4-10.2 HG3 LYS 24 - HD2 LYS 20 far 0 50 0 - 6.8-9.4 HG3 LYS 33 - HD2 LYS 12 far 0 95 0 - 7.3-10.9 HB2 LEU 14 - HD2 LYS 12 far 0 78 0 - 7.7-11.1 HG LEU 57 - HB3 ARG 91 far 0 50 0 - 7.7-9.7 HG3 LYS 33 - HD3 LYS 12 far 0 95 0 - 7.9-12.0 HG3 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 78 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.2-12.0 HD3 LYS 40 - HD2 LYS 33 far 0 33 0 - 8.4-12.0 HD2 LYS 40 - HD2 LYS 33 far 0 32 0 - 8.4-12.7 HG3 ARG 30 - HD2 LYS 33 far 0 32 0 - 9.3-12.4 HB2 LEU 14 - HD3 LYS 20 far 0 34 0 - 9.4-13.1 HB2 LEU 14 - HD2 LYS 20 far 0 39 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 78 0 - 9.7-13.5 HD3 LYS 40 - HD3 LYS 33 far 0 33 0 - 9.7-12.1 HG LEU 38 - HD2 LYS 33 far 0 26 0 - 9.8-13.3 HG LEU 38 - HD3 LYS 33 far 0 26 0 - 9.8-13.2 HD2 LYS 40 - HD3 LYS 33 far 0 32 0 - 9.9-13.5 HB ILE 7 - HD2 LYS 20 far 0 39 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 28 0 - 10.0-17.2 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): 14 out of 64 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) * HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=12...(67) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=94, 474/3.0=12...(67) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1143/3.0=8...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 1132/3.0=8...(83) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(47) HE2 LYS 47 + HD3 LYS 47 OK 44 44 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD3 LYS 47 OK 44 44 100 99 2.3-3.0 3.0=91, 2176/3.0=8...(79) HE2 LYS 47 + HD2 LYS 47 OK 42 43 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD2 LYS 47 OK 42 43 100 99 2.2-3.0 3.0=91, 2176/3.0=8...(78) HE3 LYS 90 - HB3 ARG 91 far 2 38 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 70 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 35 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 46 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 69 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 42 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 38 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 53 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 68 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 40 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 46 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 46 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 38 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 53 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 44 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 46 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 53 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 53 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 36 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 68 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 53 0 - 7.1-13.0 HE3 LYS 90 - HD3 LYS 13 far 0 87 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 33 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 33 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 87 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 46 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 52 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 73 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 75 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 85 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 34 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 34 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 75 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 73 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 559 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 14 out of 67 assignments used, quality = 1.00: * HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1143/3.0=8...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 1132/3.0=8...(83) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 47 + HD3 LYS 47 OK 42 43 100 99 2.3-3.0 3.0=91, 2176/3.0=8...(79) HE2 LYS 47 + HD3 LYS 47 OK 42 43 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE2 LYS 47 + HD2 LYS 47 OK 41 41 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD2 LYS 47 OK 41 41 100 99 2.2-3.0 3.0=91, 2176/3.0=8...(78) HE3 LYS 90 - HB3 ARG 91 far 2 40 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 65 0 - 4.3-8.1 HE2 LYS 94 - HB3 ARG 91 far 0 25 0 - 4.4-9.6 HE3 LYS 90 - HD3 LYS 20 far 0 36 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 46 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 65 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 39 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 59 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 59 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 52 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 42 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 46 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 45 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 92 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 36 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 52 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 45 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 46 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 53 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 53 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 70 0 - 6.7-10.9 HE2 LYS 94 - HD2 LYS 24 far 0 59 0 - 6.8-12.7 HB2 PHE 45 - HD2 LYS 47 far 0 35 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 70 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 91 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 53 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 59 0 - 7.2-12.9 HE3 LYS 90 - HD3 LYS 13 far 0 90 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 35 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 35 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 89 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 45 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 52 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 77 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 71 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 87 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 32 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 32 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 71 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 77 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 87 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 560 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 4.46 A): 5 out of 13 assignments used, quality = 0.99: H LYS 24 + HD3 LYS 24 OK 84 89 95 100 2.9-5.4 6385/3.0=65, 6386/3.0=60...(26) H LYS 24 + HD2 LYS 24 OK 79 88 90 100 2.0-5.4 6385/3.0=65, 6386/3.0=60...(26) * H LEU 14 + HD3 LYS 13 OK 53 100 55 96 4.4-6.1 6191/3.0=59, 6182/6.0=38...(9) H LEU 14 + HD2 LYS 13 OK 48 100 50 96 4.1-6.0 6191/3.0=59, 6182/6.0=38...(9) H GLU 88 + HB3 ARG 91 OK 25 43 60 97 4.6-7.1 3.0/3871=50, ~4024=47...(20) H LEU 14 - HD2 LYS 12 far 0 96 0 - 5.9-8.8 H LEU 14 - HD3 LYS 12 far 0 96 0 - 6.3-8.6 H LYS 24 - HD3 LYS 20 far 0 37 0 - 6.5-9.2 H LYS 24 - HD2 LYS 20 far 0 43 0 - 6.5-9.4 H LEU 14 - HD3 LYS 20 far 0 46 0 - 8.2-12.2 H LEU 14 - HD2 LYS 20 far 0 53 0 - 8.5-11.4 H LEU 38 - HD2 LYS 33 far 0 44 0 - 8.9-10.4 H LEU 38 - HD3 LYS 33 far 0 44 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (8.07, 2.96, 41.80 ppm; 6.50 A): 7 out of 18 assignments used, quality = 1.00: * H LYS 13 + HE2 LYS 13 OK 100 100 100 100 4.2-6.9 6177/3.8=98, 6176/3.8=97...(26) H LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.9-6.4 6177/3.8=98, 6176/3.8=97...(27) H LYS 13 + HE3 LYS 12 OK 80 100 80 100 5.1-7.7 6168/4.0=84...(9) H LYS 90 + HE3 LYS 90 OK 51 51 100 100 3.9-5.6 7.0=81, ~3917=73...(21) H GLU 17 + HE3 LYS 90 OK 32 69 50 94 4.1-9.5 6257/11024=87...(8) H GLU 75 + HE3 LYS 73 OK 25 93 35 78 6.2-9.3 10855/7.0=43...(4) H ILE 15 + HE3 LYS 12 OK 23 100 25 93 6.5-8.9 5.0/10393=76, 6206/6.3=71 H GLU 75 - HE2 LYS 73 poor 19 98 25 78 7.0-9.3 10855/7.0=43...(4) H GLU 17 - HE2 LYS 13 far 15 98 15 - 5.6-9.8 H GLU 17 - HE3 LYS 13 far 10 98 10 - 6.9-9.6 H ILE 15 - HE3 LYS 90 far 7 73 10 - 5.7-12.4 H ILE 15 - HE2 LYS 13 far 5 100 5 - 7.1-9.6 H GLU 17 - HE3 LYS 12 far 0 97 0 - 7.5-11.6 H ILE 15 - HE3 LYS 13 far 0 100 0 - 7.5-8.8 H LYS 39 - HE2 LYS 73 far 0 97 0 - 7.7-13.6 H LYS 13 - HE3 LYS 90 far 0 73 0 - 8.4-14.4 H LYS 39 - HE3 LYS 73 far 0 92 0 - 8.7-13.7 H GLU 17 - HE3 LYS 24 far 0 98 0 - 10.0-16.1 Violated in 0 structures by 0.00 A. Peak 562 from cnoeabs.peaks (4.15, 2.96, 41.80 ppm; 4.86 A): 6 out of 16 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.7-5.4 486/3.8=78, 518/3.8=71...(52) * HA LYS 13 + HE2 LYS 13 OK 85 100 85 100 2.7-6.1 486/3.8=78, 518/3.8=71...(52) HA LYS 73 + HE2 LYS 73 OK 73 91 80 100 4.2-6.1 3232/4.0=46, 3231/4.0=44...(67) HA LYS 73 + HE3 LYS 73 OK 72 85 85 100 3.7-6.4 3232/4.0=46, 3231/4.0=44...(66) HA LYS 47 + HE3 LYS 47 OK 72 90 80 100 3.1-6.4 2127/3.8=52, 2126/3.8=51...(83) HA LYS 47 + HE2 LYS 47 OK 63 90 70 100 2.3-6.5 2127/3.8=52, 2126/3.8=51...(83) HA LYS 13 - HE3 LYS 12 far 10 100 10 - 5.7-9.1 HA GLU 23 - HE2 LYS 24 far 10 99 10 - 4.7-8.7 HA GLU 23 - HE3 LYS 24 far 0 99 0 - 5.9-9.6 HB3 SER 85 - HE3 LYS 90 far 0 41 0 - 6.6-9.5 HA LYS 13 - HE3 LYS 90 far 0 73 0 - 7.1-12.7 HA GLN 72 - HE2 LYS 73 far 0 98 0 - 8.0-9.6 HA GLN 72 - HE3 LYS 73 far 0 93 0 - 8.0-9.7 HB3 SER 85 - HE2 LYS 13 far 0 65 0 - 9.8-14.6 HA MET 1 - HE3 LYS 47 far 0 93 0 - 9.9-17.0 HA MET 1 - HE2 LYS 47 far 0 93 0 - 10.0-16.2 Violated in 0 structures by 0.00 A. Peak 563 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.45 A): 6 out of 44 assignments used, quality = 0.99: HB3 LYS 47 + HE3 LYS 47 OK 77 92 85 99 2.7-5.0 4.9=36, 2154/1.8=17...(113) HB3 LYS 47 + HE2 LYS 47 OK 68 92 75 99 2.0-5.0 4.9=36, 2155/1.8=17...(113) HB3 LYS 13 + HE2 LYS 13 OK 50 100 50 99 2.0-5.5 5.0=33, 3.0/576=17...(95) HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 3.3-4.8 5.0=33, 3.0/576=17...(95) * HB2 LYS 13 + HE2 LYS 13 OK 30 100 30 99 3.6-5.5 5.0=33, 3.0/576=17...(95) HB2 GLU 17 + HE3 LYS 90 OK 25 56 65 70 2.0-6.0 3.0/11024=32...(10) HB2 LYS 13 - HE3 LYS 13 far 15 100 15 - 3.3-5.5 HB2 LYS 20 - HE3 LYS 24 far 12 82 15 - 2.8-9.2 HB2 LYS 20 - HE2 LYS 24 far 12 82 15 - 3.3-9.0 HB3 LYS 20 - HE3 LYS 24 far 5 94 5 - 4.3-9.9 HB2 GLU 43 - HE3 LYS 47 far 0 91 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 94 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 64 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 68 0 - 5.7-11.8 HB2 GLU 43 - HE2 LYS 47 far 0 91 0 - 6.0-10.4 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.3-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 73 0 - 6.4-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 100 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 53 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 68 0 - 6.9-14.2 HB2 ARG 19 - HE3 LYS 12 far 0 86 0 - 7.1-13.4 HB2 LYS 20 - HE3 LYS 90 far 0 53 0 - 7.2-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 72 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.4-13.5 HB2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.5-11.0 HB3 ARG 19 - HE3 LYS 12 far 0 97 0 - 7.5-12.4 HB3 LEU 14 - HE3 LYS 13 far 0 97 0 - 7.7-9.9 HB3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-10.9 HB2 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.7-15.1 HB3 LEU 14 - HE2 LYS 13 far 0 97 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 87 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 87 0 - 7.8-13.7 HB2 GLU 17 - HE3 LYS 13 far 0 85 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 97 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 97 0 - 8.3-14.3 HB2 ARG 19 - HE3 LYS 90 far 0 57 0 - 8.3-14.1 HB2 LYS 94 - HE3 LYS 24 far 0 100 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 94 0 - 8.6-14.8 HB3 LEU 14 - HE3 LYS 12 far 0 96 0 - 8.8-11.0 HB3 LYS 33 - HE3 LYS 12 far 0 100 0 - 9.2-14.0 HG LEU 42 - HE2 LYS 73 far 0 88 0 - 9.2-14.5 HB2 GLU 17 - HE3 LYS 24 far 0 85 0 - 9.4-14.5 HB2 LYS 20 - HE2 LYS 13 far 0 82 0 - 9.5-16.1 HB2 GLU 17 - HE2 LYS 24 far 0 85 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 564 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.45 A): 6 out of 44 assignments used, quality = 0.99: HB3 LYS 47 + HE3 LYS 47 OK 76 91 85 99 2.7-5.0 4.9=36, 2155/1.8=17...(113) HB3 LYS 47 + HE2 LYS 47 OK 67 91 75 99 2.0-5.0 4.9=36, 2155/1.8=17...(113) * HB3 LYS 13 + HE2 LYS 13 OK 50 100 50 99 2.0-5.5 5.0=33, 3.0/576=17...(95) HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 3.3-4.8 5.0=33, 3.0/576=17...(95) HB2 LYS 13 + HE2 LYS 13 OK 30 100 30 99 3.6-5.5 5.0=33, 3.0/576=17...(95) HB2 GLU 17 + HE3 LYS 90 OK 24 53 65 69 2.0-6.0 3.0/11024=32...(10) HB2 LYS 13 - HE3 LYS 13 far 15 100 15 - 3.3-5.5 HB2 LYS 20 - HE3 LYS 24 far 13 85 15 - 2.8-9.2 HB2 LYS 20 - HE2 LYS 24 far 13 85 15 - 3.3-9.0 HB3 LYS 20 - HE3 LYS 24 far 5 92 5 - 4.3-9.9 HB2 GLU 43 - HE3 LYS 47 far 0 92 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 92 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 62 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 69 0 - 5.7-11.8 HB2 GLU 43 - HE2 LYS 47 far 0 92 0 - 6.0-10.4 HB2 GLU 17 - HE2 LYS 13 far 0 82 0 - 6.3-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 73 0 - 6.4-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 51 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 67 0 - 6.9-14.2 HB2 ARG 19 - HE3 LYS 12 far 0 88 0 - 7.1-13.4 HB2 LYS 20 - HE3 LYS 90 far 0 56 0 - 7.2-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.4-13.5 HB2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.5-11.0 HB3 ARG 19 - HE3 LYS 12 far 0 95 0 - 7.5-12.4 HB3 LEU 14 - HE3 LYS 13 far 0 98 0 - 7.7-9.9 HB3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-10.9 HB2 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.7-15.1 HB3 LEU 14 - HE2 LYS 13 far 0 98 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 89 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 89 0 - 7.8-13.7 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 96 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 96 0 - 8.3-14.3 HB2 ARG 19 - HE3 LYS 90 far 0 60 0 - 8.3-14.1 HB2 LYS 94 - HE3 LYS 24 far 0 99 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-14.8 HB3 LEU 14 - HE3 LYS 12 far 0 97 0 - 8.8-11.0 HB3 LYS 33 - HE3 LYS 12 far 0 100 0 - 9.2-14.0 HG LEU 42 - HE2 LYS 73 far 0 90 0 - 9.2-14.5 HB2 GLU 17 - HE3 LYS 24 far 0 82 0 - 9.4-14.5 HB2 LYS 20 - HE2 LYS 13 far 0 85 0 - 9.5-16.1 HB2 GLU 17 - HE2 LYS 24 far 0 82 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 565 from cnoeabs.peaks (1.43, 2.96, 41.80 ppm; 3.63 A): 3 out of 34 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=86, 518/6.0=21...(90) HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=86, 518/6.0=21...(90) HG2 LYS 12 + HE3 LYS 12 OK 95 95 100 100 3.1-4.1 4.0=77, 423/1.8=51...(53) HG3 ARG 91 - HE3 LYS 90 far 9 60 15 - 3.4-11.3 HG2 LYS 20 - HE3 LYS 24 far 4 82 5 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 4 82 5 - 4.5-11.6 HG3 LYS 39 - HE2 LYS 73 far 0 95 0 - 4.8-12.2 HG3 LYS 39 - HE3 LYS 73 far 0 90 0 - 5.1-12.3 HG2 LYS 20 - HE3 LYS 90 far 0 53 0 - 5.3-12.7 HG13 ILE 52 - HE2 LYS 47 far 0 72 0 - 6.3-11.4 QB ALA 22 - HE2 LYS 24 far 0 100 0 - 6.4-9.8 QB ALA 22 - HE3 LYS 24 far 0 100 0 - 6.6-10.0 HG2 LYS 13 - HE3 LYS 12 far 0 100 0 - 6.8-11.9 HG2 LYS 12 - HE3 LYS 13 far 0 96 0 - 7.0-10.5 QB ALA 22 - HE3 LYS 90 far 0 73 0 - 7.1-11.3 HG2 LYS 12 - HE2 LYS 13 far 0 96 0 - 7.2-10.9 QB ALA 71 - HE2 LYS 73 far 0 88 0 - 7.2-9.5 HG13 ILE 52 - HE3 LYS 47 far 0 72 0 - 7.4-12.6 HG12 ILE 7 - HE3 LYS 90 far 0 72 0 - 7.4-13.1 QB ALA 71 - HE3 LYS 73 far 0 82 0 - 7.6-9.7 HG13 ILE 76 - HE3 LYS 47 far 0 92 0 - 8.0-14.1 HG13 ILE 76 - HE2 LYS 47 far 0 92 0 - 8.1-14.2 HG13 ILE 76 - HE2 LYS 73 far 0 97 0 - 8.3-13.7 HB2 LEU 38 - HE2 LYS 73 far 0 81 0 - 8.5-15.3 HG13 ILE 76 - HE3 LYS 73 far 0 92 0 - 8.6-13.8 HG2 LYS 20 - HE3 LYS 12 far 0 81 0 - 9.0-14.6 HG LEU 29 - HE3 LYS 90 far 0 73 0 - 9.1-14.8 HG2 LYS 20 - HE2 LYS 13 far 0 82 0 - 9.1-15.2 HG2 LYS 13 - HE3 LYS 90 far 0 73 0 - 9.3-13.8 HB2 LEU 38 - HE3 LYS 73 far 0 75 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 82 0 - 9.4-11.9 HG LEU 38 - HE2 LYS 73 far 0 75 0 - 9.5-14.8 HB2 LEU 27 - HE3 LYS 24 far 0 82 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 82 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 566 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.07 A): 8 out of 27 assignments used, quality = 1.00: HG3 LYS 24 + HE2 LYS 24 OK 92 98 95 98 2.2-4.1 3.7=56, 1.8/1132=13...(99) HG2 LYS 47 + HE3 LYS 47 OK 91 92 100 99 2.1-3.8 3.8=54, 1.8/2177=12...(108) HG2 LYS 73 + HE3 LYS 73 OK 91 93 100 98 2.2-3.9 4.0=45, 3297/3.0=13...(103) * HG3 LYS 13 + HE2 LYS 13 OK 89 100 95 94 2.6-4.1 3.8=52, 486/6.0=13...(68) HG2 LYS 73 + HE2 LYS 73 OK 86 98 90 98 2.0-4.0 4.0=45, 3297/3.0=13...(101) HG3 LYS 13 + HE3 LYS 13 OK 80 100 85 94 2.1-4.2 3.8=52, 486/6.0=13...(68) HG2 LYS 47 + HE2 LYS 47 OK 73 92 80 99 2.0-4.2 3.8=54, 1.8/2217=14...(108) HG3 LYS 24 + HE3 LYS 24 OK 73 98 75 98 2.1-4.2 3.7=56, 1.8/1132=15...(99) HB2 ARG 91 - HE3 LYS 90 far 10 70 15 - 3.9-9.5 HG LEU 2 - HE2 LYS 47 far 0 84 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 84 0 - 5.3-12.9 HG3 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-10.6 HB2 LEU 14 - HE3 LYS 90 far 0 56 0 - 5.7-11.0 HB2 LEU 14 - HE3 LYS 13 far 0 85 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 85 0 - 7.3-9.7 HB ILE 7 - HE3 LYS 90 far 0 56 0 - 7.3-13.5 HG3 LYS 33 - HE3 LYS 12 far 0 99 0 - 7.5-12.5 HG LEU 57 - HE3 LYS 90 far 0 73 0 - 7.8-11.7 HG2 LYS 66 - HE2 LYS 73 far 0 97 0 - 8.3-11.8 HG3 LYS 13 - HE3 LYS 90 far 0 73 0 - 8.4-14.4 HG3 LYS 66 - HE2 LYS 73 far 0 98 0 - 8.5-11.8 HG3 LYS 24 - HE3 LYS 90 far 0 70 0 - 8.5-13.8 HG2 LYS 66 - HE3 LYS 73 far 0 92 0 - 9.4-12.7 HG LEU 38 - HE2 LYS 73 far 0 58 0 - 9.5-14.8 HB ILE 7 - HE3 LYS 12 far 0 84 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 93 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 84 0 - 9.8-11.7 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 74 assignments used, quality = 1.00: HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 93 2.2-3.0 2.9=72, 3.0/576=10...(52) * HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) 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 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 74 83 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(49) HD3 LYS 47 + HE3 LYS 47 OK 74 83 100 89 2.3-3.0 3.0=69, 3.0/2177=7...(49) HD2 LYS 47 + HE2 LYS 47 OK 73 82 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(50) HD2 LYS 47 + HE3 LYS 47 OK 73 82 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD3 LYS 90 + HE3 LYS 90 OK 62 73 100 84 2.3-3.0 3.0=70, 2.9/4005=14...(13) HD2 LYS 73 + HE2 LYS 73 OK 60 67 100 89 2.3-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE2 LYS 73 OK 57 63 100 89 2.2-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 73 + HE3 LYS 73 OK 55 62 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE3 LYS 73 OK 52 58 100 89 2.2-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 90 + HE3 LYS 90 OK 29 36 100 80 2.2-3.0 3.0=70, 2.9/4005=14...(12) HB3 ARG 91 - HE3 LYS 90 far 0 64 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 71 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 84 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 78 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 84 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 84 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 98 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 87 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 99 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 93 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 93 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 98 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 84 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 67 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 84 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 86 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 88 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 86 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 93 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 67 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 51 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 93 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 93 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 84 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 88 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 79 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 72 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 79 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 87 0 - 8.2-15.0 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 8.6-14.5 HG3 LYS 20 - HE2 LYS 13 far 0 84 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 73 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 73 0 - 9.7-13.7 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.8-15.4 HG3 LYS 20 - HE3 LYS 12 far 0 83 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 84 0 - 10.0-14.9 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 74 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 93 2.2-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) * HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) 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 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 72 80 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(49) HD3 LYS 47 + HE3 LYS 47 OK 72 80 100 89 2.3-3.0 3.0=69, 3.0/2177=7...(49) HD2 LYS 47 + HE2 LYS 47 OK 71 79 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 47 + HE3 LYS 47 OK 71 79 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(50) HD3 LYS 90 + HE3 LYS 90 OK 61 72 100 84 2.3-3.0 3.0=70, 2.9/4005=14...(13) HD2 LYS 73 + HE2 LYS 73 OK 56 63 100 89 2.3-3.0 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE2 LYS 73 OK 53 60 100 89 2.2-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 73 + HE3 LYS 73 OK 51 58 100 89 2.2-3.0 3.0=68, 3.0/3308=5...(46) HD3 LYS 73 + HE3 LYS 73 OK 48 54 100 89 2.2-3.0 3.0=68, 3.0/3308=5...(50) HD2 LYS 90 + HE3 LYS 90 OK 32 39 100 81 2.2-3.0 3.0=70, 2.9/4005=14...(12) HB3 ARG 91 - HE3 LYS 90 far 0 62 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 70 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 80 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 81 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 80 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 52 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 80 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 52 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 98 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 89 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 94 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 93 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 98 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 85 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 56 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 80 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 63 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 85 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 81 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 88 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 85 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 88 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 93 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 63 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 53 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 93 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 93 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 80 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 85 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 82 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 71 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 79 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 82 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.2-15.0 HD2 LYS 90 - HE3 LYS 24 far 0 63 0 - 8.6-14.5 HG3 LYS 20 - HE2 LYS 13 far 0 81 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 72 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 72 0 - 9.7-13.7 HD2 LYS 90 - HE2 LYS 24 far 0 63 0 - 9.8-15.4 HG3 LYS 20 - HE3 LYS 12 far 0 79 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 80 0 - 10.0-14.9 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): 7 out of 18 assignments used, quality = 1.00: * H LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.9-6.4 6177/3.8=98, 6176/3.8=97...(27) H LYS 13 + HE2 LYS 13 OK 100 100 100 100 4.2-6.9 6177/3.8=98, 6176/3.8=97...(26) H LYS 13 + HE3 LYS 12 OK 79 99 80 100 5.1-7.7 6168/4.0=84...(9) H LYS 90 + HE3 LYS 90 OK 55 55 100 100 3.9-5.6 7.0=81, ~3917=73...(21) H GLU 17 + HE3 LYS 90 OK 35 74 50 94 4.1-9.5 6257/11024=87...(8) H GLU 75 + HE3 LYS 73 OK 26 96 35 78 6.2-9.3 10855/7.0=43...(4) H ILE 15 + HE3 LYS 12 OK 23 99 25 93 6.5-8.9 5.0/10393=75, 6206/6.3=71 H GLU 75 - HE2 LYS 73 poor 19 99 25 78 7.0-9.3 10855/7.0=43...(4) H GLU 17 - HE2 LYS 13 far 15 98 15 - 5.6-9.8 H GLU 17 - HE3 LYS 13 far 10 98 10 - 6.9-9.6 H ILE 15 - HE3 LYS 90 far 8 78 10 - 5.7-12.4 H ILE 15 - HE2 LYS 13 far 5 100 5 - 7.1-9.6 H GLU 17 - HE3 LYS 12 far 0 96 0 - 7.5-11.6 H ILE 15 - HE3 LYS 13 far 0 100 0 - 7.5-8.8 H LYS 39 - HE2 LYS 73 far 0 98 0 - 7.7-13.6 H LYS 13 - HE3 LYS 90 far 0 78 0 - 8.4-14.4 H LYS 39 - HE3 LYS 73 far 0 94 0 - 8.7-13.7 H GLU 17 - HE3 LYS 24 far 0 98 0 - 10.0-16.1 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 16 assignments used, quality = 1.00: * HA LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.7-5.4 486/3.8=78, 518/3.8=71...(52) HA LYS 13 + HE2 LYS 13 OK 85 100 85 100 2.7-6.1 486/3.8=78, 518/3.8=71...(52) HA LYS 73 + HE3 LYS 73 OK 75 88 85 100 3.7-6.4 3232/4.0=46, 3231/4.0=44...(66) HA LYS 73 + HE2 LYS 73 OK 74 93 80 100 4.2-6.1 3232/4.0=46, 3231/4.0=44...(67) HA LYS 47 + HE3 LYS 47 OK 69 87 80 100 3.1-6.4 2127/3.8=52, 2126/3.8=51...(83) HA LYS 47 + HE2 LYS 47 OK 61 87 70 100 2.3-6.5 2127/3.8=52, 2126/3.8=51...(83) HA GLU 23 - HE2 LYS 24 far 10 99 10 - 4.7-8.7 HA LYS 13 - HE3 LYS 12 far 10 99 10 - 5.7-9.1 HA GLU 23 - HE3 LYS 24 far 0 99 0 - 5.9-9.6 HB3 SER 85 - HE3 LYS 90 far 0 44 0 - 6.6-9.5 HA LYS 13 - HE3 LYS 90 far 0 78 0 - 7.1-12.7 HA GLN 72 - HE2 LYS 73 far 0 99 0 - 8.0-9.6 HA GLN 72 - HE3 LYS 73 far 0 96 0 - 8.0-9.7 HB3 SER 85 - HE2 LYS 13 far 0 65 0 - 9.8-14.6 HA MET 1 - HE3 LYS 47 far 0 90 0 - 9.9-17.0 HA MET 1 - HE2 LYS 47 far 0 90 0 - 10.0-16.2 Violated in 0 structures by 0.00 A. Peak 574 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.45 A): 6 out of 44 assignments used, quality = 0.99: HB3 LYS 47 + HE3 LYS 47 OK 75 89 85 99 2.7-5.0 4.9=36, 2154/1.8=17...(113) HB3 LYS 47 + HE2 LYS 47 OK 66 89 75 99 2.0-5.0 4.9=36, 2155/1.8=17...(113) HB3 LYS 13 + HE2 LYS 13 OK 50 100 50 99 2.0-5.5 5.0=33, 3.0/576=17...(95) HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 3.3-4.8 5.0=33, 3.0/576=17...(95) HB2 LYS 13 + HE2 LYS 13 OK 30 100 30 99 3.6-5.5 5.0=33, 3.0/576=17...(95) HB2 GLU 17 + HE3 LYS 90 OK 27 60 65 70 2.0-6.0 3.0/11024=32...(10) ! HB2 LYS 13 - HE3 LYS 13 far 15 100 15 - 3.3-5.5 HB2 LYS 20 - HE3 LYS 24 far 12 81 15 - 2.8-9.2 HB2 LYS 20 - HE2 LYS 24 far 12 81 15 - 3.3-9.0 HB3 LYS 20 - HE3 LYS 24 far 5 93 5 - 4.3-9.9 HB2 GLU 43 - HE3 LYS 47 far 0 87 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 69 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 72 0 - 5.7-11.8 HB2 GLU 43 - HE2 LYS 47 far 0 87 0 - 6.0-10.4 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.3-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 78 0 - 6.4-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 73 0 - 6.9-14.2 HB2 ARG 19 - HE3 LYS 12 far 0 84 0 - 7.1-13.4 HB2 LYS 20 - HE3 LYS 90 far 0 58 0 - 7.2-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 77 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.4-13.5 HB2 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.5-11.0 HB3 ARG 19 - HE3 LYS 12 far 0 96 0 - 7.5-12.4 HB3 LEU 14 - HE3 LYS 13 far 0 97 0 - 7.7-9.9 HB3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.7-10.9 HB2 LYS 33 - HE3 LYS 12 far 0 99 0 - 7.7-15.1 HB3 LEU 14 - HE2 LYS 13 far 0 97 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 86 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 86 0 - 7.8-13.7 HB2 GLU 17 - HE3 LYS 13 far 0 85 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 97 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 97 0 - 8.3-14.3 HB2 ARG 19 - HE3 LYS 90 far 0 62 0 - 8.3-14.1 HB2 LYS 94 - HE3 LYS 24 far 0 99 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 94 0 - 8.6-14.8 HB3 LEU 14 - HE3 LYS 12 far 0 95 0 - 8.8-11.0 HB3 LYS 33 - HE3 LYS 12 far 0 99 0 - 9.2-14.0 HG LEU 42 - HE2 LYS 73 far 0 89 0 - 9.2-14.5 HB2 GLU 17 - HE3 LYS 24 far 0 85 0 - 9.4-14.5 HB2 LYS 20 - HE2 LYS 13 far 0 82 0 - 9.5-16.1 HB2 GLU 17 - HE2 LYS 24 far 0 85 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 575 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.45 A): 6 out of 44 assignments used, quality = 0.99: HB3 LYS 47 + HE3 LYS 47 OK 74 87 85 99 2.7-5.0 4.9=36, 2155/1.8=17...(113) HB3 LYS 47 + HE2 LYS 47 OK 65 87 75 99 2.0-5.0 4.9=36, 2155/1.8=17...(113) HB3 LYS 13 + HE2 LYS 13 OK 50 100 50 99 2.0-5.5 5.0=33, 3.0/576=17...(95) * HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 3.3-4.8 5.0=33, 3.0/576=17...(95) HB2 LYS 13 + HE2 LYS 13 OK 30 100 30 99 3.6-5.5 5.0=33, 3.0/576=17...(95) HB2 GLU 17 + HE3 LYS 90 OK 26 58 65 69 2.0-6.0 3.0/11024=32...(10) HB2 LYS 13 - HE3 LYS 13 far 15 100 15 - 3.3-5.5 HB2 LYS 20 - HE3 LYS 24 far 13 85 15 - 2.8-9.2 HB2 LYS 20 - HE2 LYS 24 far 13 85 15 - 3.3-9.0 HB3 LYS 20 - HE3 LYS 24 far 5 91 5 - 4.3-9.9 HB2 GLU 43 - HE3 LYS 47 far 0 89 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 91 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 66 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 74 0 - 5.7-11.8 HB2 GLU 43 - HE2 LYS 47 far 0 89 0 - 6.0-10.4 HB2 GLU 17 - HE2 LYS 13 far 0 82 0 - 6.3-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 78 0 - 6.4-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 55 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 72 0 - 6.9-14.2 HB2 ARG 19 - HE3 LYS 12 far 0 87 0 - 7.1-13.4 HB2 LYS 20 - HE3 LYS 90 far 0 60 0 - 7.2-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 76 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.4-13.5 HB2 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.5-11.0 HB3 ARG 19 - HE3 LYS 12 far 0 94 0 - 7.5-12.4 HB3 LEU 14 - HE3 LYS 13 far 0 98 0 - 7.7-9.9 HB3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.7-10.9 HB2 LYS 33 - HE3 LYS 12 far 0 99 0 - 7.7-15.1 HB3 LEU 14 - HE2 LYS 13 far 0 98 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 89 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 89 0 - 7.8-13.7 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 96 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 96 0 - 8.3-14.3 HB2 ARG 19 - HE3 LYS 90 far 0 64 0 - 8.3-14.1 HB2 LYS 94 - HE3 LYS 24 far 0 99 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-14.8 HB3 LEU 14 - HE3 LYS 12 far 0 96 0 - 8.8-11.0 HB3 LYS 33 - HE3 LYS 12 far 0 99 0 - 9.2-14.0 HG LEU 42 - HE2 LYS 73 far 0 92 0 - 9.2-14.5 HB2 GLU 17 - HE3 LYS 24 far 0 81 0 - 9.4-14.5 HB2 LYS 20 - HE2 LYS 13 far 0 85 0 - 9.5-16.1 HB2 GLU 17 - HE2 LYS 24 far 0 81 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 576 from cnoeabs.peaks (1.43, 2.96, 41.80 ppm; 3.63 A): 3 out of 34 assignments used, quality = 1.00: * HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.2-3.7 3.8=86, 518/6.0=21...(90) HG2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=86, 518/6.0=21...(90) HG2 LYS 12 + HE3 LYS 12 OK 94 94 100 100 3.1-4.1 4.0=77, 423/1.8=51...(53) HG3 ARG 91 - HE3 LYS 90 far 10 64 15 - 3.4-11.3 HG2 LYS 20 - HE3 LYS 24 far 4 81 5 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 4 81 5 - 4.5-11.6 HG3 LYS 39 - HE2 LYS 73 far 0 97 0 - 4.8-12.2 HG3 LYS 39 - HE3 LYS 73 far 0 93 0 - 5.1-12.3 HG2 LYS 20 - HE3 LYS 90 far 0 58 0 - 5.3-12.7 HG13 ILE 52 - HE2 LYS 47 far 0 69 0 - 6.3-11.4 QB ALA 22 - HE2 LYS 24 far 0 100 0 - 6.4-9.8 QB ALA 22 - HE3 LYS 24 far 0 100 0 - 6.6-10.0 HG2 LYS 13 - HE3 LYS 12 far 0 99 0 - 6.8-11.9 HG2 LYS 12 - HE3 LYS 13 far 0 96 0 - 7.0-10.5 QB ALA 22 - HE3 LYS 90 far 0 78 0 - 7.1-11.3 HG2 LYS 12 - HE2 LYS 13 far 0 96 0 - 7.2-10.9 QB ALA 71 - HE2 LYS 73 far 0 89 0 - 7.2-9.5 HG13 ILE 52 - HE3 LYS 47 far 0 69 0 - 7.4-12.6 HG12 ILE 7 - HE3 LYS 90 far 0 77 0 - 7.4-13.1 QB ALA 71 - HE3 LYS 73 far 0 84 0 - 7.6-9.7 HG13 ILE 76 - HE3 LYS 47 far 0 89 0 - 8.0-14.1 HG13 ILE 76 - HE2 LYS 47 far 0 89 0 - 8.1-14.2 HG13 ILE 76 - HE2 LYS 73 far 0 98 0 - 8.3-13.7 HB2 LEU 38 - HE2 LYS 73 far 0 83 0 - 8.5-15.3 HG13 ILE 76 - HE3 LYS 73 far 0 95 0 - 8.6-13.8 HG2 LYS 20 - HE3 LYS 12 far 0 80 0 - 9.0-14.6 HG LEU 29 - HE3 LYS 90 far 0 78 0 - 9.1-14.8 HG2 LYS 20 - HE2 LYS 13 far 0 82 0 - 9.1-15.2 HG2 LYS 13 - HE3 LYS 90 far 0 78 0 - 9.3-13.8 HB2 LEU 38 - HE3 LYS 73 far 0 78 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 81 0 - 9.4-11.9 HG LEU 38 - HE2 LYS 73 far 0 76 0 - 9.5-14.8 HB2 LEU 27 - HE3 LYS 24 far 0 81 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 82 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 577 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.07 A): 8 out of 27 assignments used, quality = 1.00: HG2 LYS 73 + HE3 LYS 73 OK 93 95 100 98 2.2-3.9 4.0=45, 3297/3.0=13...(103) HG3 LYS 24 + HE2 LYS 24 OK 91 98 95 98 2.2-4.1 3.7=56, 1.8/1132=12...(99) HG3 LYS 13 + HE2 LYS 13 OK 89 100 95 94 2.6-4.1 3.8=52, 486/6.0=13...(68) HG2 LYS 47 + HE3 LYS 47 OK 88 89 100 99 2.1-3.8 3.8=54, 1.8/2177=12...(108) HG2 LYS 73 + HE2 LYS 73 OK 87 99 90 98 2.0-4.0 4.0=45, 3297/3.0=13...(101) * HG3 LYS 13 + HE3 LYS 13 OK 80 100 85 94 2.1-4.2 3.8=52, 486/6.0=13...(68) HG3 LYS 24 + HE3 LYS 24 OK 72 98 75 98 2.1-4.2 3.7=56, 1.8/1132=15...(99) HG2 LYS 47 + HE2 LYS 47 OK 71 89 80 99 2.0-4.2 3.8=54, 1.8/2217=13...(108) HB2 ARG 91 - HE3 LYS 90 far 11 75 15 - 3.9-9.5 HG LEU 2 - HE2 LYS 47 far 0 81 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 81 0 - 5.3-12.9 HG3 LYS 13 - HE3 LYS 12 far 0 99 0 - 5.4-10.6 HB2 LEU 14 - HE3 LYS 90 far 0 60 0 - 5.7-11.0 HB2 LEU 14 - HE3 LYS 13 far 0 85 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 85 0 - 7.3-9.7 HB ILE 7 - HE3 LYS 90 far 0 60 0 - 7.3-13.5 HG3 LYS 33 - HE3 LYS 12 far 0 98 0 - 7.5-12.5 HG LEU 57 - HE3 LYS 90 far 0 78 0 - 7.8-11.7 HG2 LYS 66 - HE2 LYS 73 far 0 98 0 - 8.3-11.8 HG3 LYS 13 - HE3 LYS 90 far 0 78 0 - 8.4-14.4 HG3 LYS 66 - HE2 LYS 73 far 0 99 0 - 8.5-11.8 HG3 LYS 24 - HE3 LYS 90 far 0 75 0 - 8.5-13.8 HG2 LYS 66 - HE3 LYS 73 far 0 95 0 - 9.4-12.7 HG LEU 38 - HE2 LYS 73 far 0 59 0 - 9.5-14.8 HB ILE 7 - HE3 LYS 12 far 0 83 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 95 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 83 0 - 9.8-11.7 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 74 assignments used, quality = 1.00: * HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 93 2.2-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) 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 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 71 80 100 90 2.2-3.0 3.0=69, 3.0/2177=6...(49) HD3 LYS 47 + HE3 LYS 47 OK 71 80 100 89 2.3-3.0 3.0=69, 3.0/2177=6...(49) HD2 LYS 47 + HE2 LYS 47 OK 70 78 100 90 2.2-3.0 3.0=69, 3.0/2177=6...(50) HD2 LYS 47 + HE3 LYS 47 OK 70 78 100 90 2.2-3.0 3.0=69, 3.0/2176=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 66 78 100 85 2.3-3.0 3.0=70, 2.9/4005=16...(13) HD2 LYS 73 + HE2 LYS 73 OK 61 69 100 89 2.3-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE2 LYS 73 OK 58 65 100 89 2.2-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 73 + HE3 LYS 73 OK 57 64 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE3 LYS 73 OK 54 60 100 89 2.2-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 90 + HE3 LYS 90 OK 32 40 100 81 2.2-3.0 3.0=70, 2.9/4005=16...(12) HB3 ARG 91 - HE3 LYS 90 far 0 69 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 76 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 76 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 59 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 59 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 99 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 99 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 90 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 94 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 96 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 99 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 87 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 63 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 64 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 87 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 84 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 84 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 88 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 84 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 90 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 64 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 55 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 96 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 90 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 84 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 88 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 79 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 77 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 81 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 79 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 86 0 - 8.2-15.0 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 8.6-14.5 HG3 LYS 20 - HE2 LYS 13 far 0 84 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 78 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 78 0 - 9.7-13.7 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.8-15.4 HG3 LYS 20 - HE3 LYS 12 far 0 81 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 84 0 - 10.0-14.9 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 74 assignments used, quality = 1.00: * HD3 LYS 13 + HE3 LYS 13 OK 93 100 100 93 2.2-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 24 + HE3 LYS 24 OK 91 99 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 99 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE2 LYS 24 OK 91 99 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 99 100 91 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 69 77 100 90 2.2-3.0 3.0=69, 3.0/2176=6...(49) HD3 LYS 47 + HE3 LYS 47 OK 69 77 100 89 2.3-3.0 3.0=69, 3.0/2177=6...(49) HD2 LYS 47 + HE2 LYS 47 OK 68 76 100 90 2.2-3.0 3.0=69, 3.0/2177=6...(50) HD2 LYS 47 + HE3 LYS 47 OK 68 76 100 90 2.2-3.0 3.0=69, 3.0/2177=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 66 77 100 85 2.3-3.0 3.0=70, 2.9/4005=16...(13) HD2 LYS 73 + HE2 LYS 73 OK 58 65 100 89 2.3-3.0 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE2 LYS 73 OK 54 61 100 89 2.2-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 73 + HE3 LYS 73 OK 54 60 100 89 2.2-3.0 3.0=68, 3.0/3308=5...(46) HD3 LYS 73 + HE3 LYS 73 OK 51 57 100 89 2.2-3.0 3.0=68, 3.0/3308=5...(50) HD2 LYS 90 + HE3 LYS 90 OK 35 43 100 81 2.2-3.0 3.0=70, 2.9/4005=16...(12) HB3 ARG 91 - HE3 LYS 90 far 0 66 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 75 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 80 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 80 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 80 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 80 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 99 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 99 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 91 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 96 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 95 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 99 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 85 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 60 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 80 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 60 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 85 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 80 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 85 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 90 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 60 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 58 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 96 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 90 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 85 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 82 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 76 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 78 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 82 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.2-15.0 HD2 LYS 90 - HE3 LYS 24 far 0 63 0 - 8.6-14.5 HG3 LYS 20 - HE2 LYS 13 far 0 80 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 77 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 99 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 77 0 - 9.7-13.7 HD2 LYS 90 - HE2 LYS 24 far 0 63 0 - 9.8-15.4 HG3 LYS 20 - HE3 LYS 12 far 0 78 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 81 0 - 10.0-14.9 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 2.8-2.9 3.0=100 H GLU 88 + HA GLU 88 OK 47 47 100 100 2.8-2.9 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 - 6.7-8.1 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 13 assignments used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 91 + HA GLU 88 OK 22 29 85 86 2.5-4.7 4024=28, 1.8/4034=22...(18) HG2 LYS 33 - HA GLU 37 far 0 32 0 - 6.0-7.2 HG3 LYS 13 - HA LEU 14 far 0 85 0 - 6.2-6.5 HG3 LYS 33 - HA GLU 37 far 0 39 0 - 7.3-8.4 HG LEU 57 - HA GLU 88 far 0 45 0 - 7.3-8.2 HG3 ARG 30 - HA GLU 37 far 0 44 0 - 7.5-10.6 HB ILE 7 - HA LEU 14 far 0 100 0 - 7.7-8.5 HG LEU 57 - HA LEU 14 far 0 91 0 - 8.3-9.5 HG LEU 6 - HA GLU 37 far 0 45 0 - 8.6-9.6 HB2 LEU 14 - HA GLU 88 far 0 55 0 - 9.8-11.1 HG12 ILE 56 - HA GLU 37 far 0 43 0 - 9.8-13.7 HB2 ARG 91 - HA LEU 14 far 0 65 0 - 10.0-12.8 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 18 assignments used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 13 + HA LEU 14 OK 69 97 75 95 4.1-5.3 3.0/8391=30, 516/3.0=28...(20) HB3 LYS 13 + HA LEU 14 OK 28 98 30 95 3.8-4.6 3.0/8391=30, 516/3.0=28...(20) HB2 GLU 17 - HA LEU 14 poor 18 59 35 86 4.0-5.2 3.0/8477=32, 3.0/8478=31...(12) HB3 LYS 39 - HA GLU 37 far 0 20 0 - 5.6-6.8 HB3 LYS 33 - HA GLU 37 far 0 42 0 - 6.6-8.9 HB VAL 32 - HA GLU 37 far 0 22 0 - 6.8-7.3 HB2 LYS 33 - HA GLU 37 far 0 40 0 - 6.9-9.4 HB2 LYS 12 - HA LEU 14 far 0 61 0 - 7.5-7.9 HG LEU 42 - HA GLU 37 far 0 44 0 - 7.6-8.0 HB2 GLU 17 - HA GLU 88 far 0 26 0 - 7.6-9.8 HB2 ARG 19 - HA LEU 14 far 0 99 0 - 7.8-10.2 HB3 LYS 12 - HA LEU 14 far 0 65 0 - 7.8-8.1 HB3 LYS 20 - HA LEU 14 far 0 73 0 - 7.8-10.2 HB2 LYS 94 - HA GLU 88 far 0 46 0 - 8.0-10.5 HB3 ARG 19 - HA LEU 14 far 0 82 0 - 8.2-10.4 HB2 LYS 20 - HA LEU 14 far 0 98 0 - 8.2-11.0 HB2 GLU 43 - HA GLU 37 far 0 45 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 587 from cnoeabs.peaks (1.35, 3.68, 59.00 ppm; 3.56 A): 3 out of 12 assignments used, quality = 1.00: * HG LEU 14 + HA LEU 14 OK 100 100 100 100 2.2-2.8 611=90, 6200/3.0=44...(27) QB ALA 89 + HA LEU 14 OK 48 99 60 81 3.9-5.0 10971/8422=39, 10787=29...(12) HG3 LYS 40 + HA GLU 37 OK 29 43 70 96 3.3-5.7 2.9/1794=42, 2.9/1782=41...(16) QB ALA 89 - HA GLU 88 far 0 52 0 - 5.0-5.0 HG2 LYS 94 - HA GLU 88 far 0 52 0 - 7.2-10.9 HG2 LYS 39 - HA GLU 37 far 0 45 0 - 7.4-8.3 HG LEU 14 - HA GLU 88 far 0 55 0 - 7.8-9.0 HB3 ARG 30 - HA GLU 37 far 0 36 0 - 8.1-9.2 HG12 ILE 8 - HA GLU 37 far 0 42 0 - 8.1-9.1 HG3 LYS 94 - HA GLU 88 far 0 35 0 - 8.5-11.2 QB ALA 67 - HA GLU 37 far 0 42 0 - 8.7-10.3 HB2 LEU 70 - HA GLU 37 far 0 38 0 - 9.0-10.9 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 12 assignments used, quality = 1.00: * QD1 LEU 14 + HA LEU 14 OK 100 100 100 100 2.8-3.6 4.0=72, 2.1/611=65...(32) QD2 LEU 14 + HA LEU 14 OK 75 75 100 100 3.1-3.9 4.0=72, 2.1/611=65...(27) QD2 LEU 6 - HA GLU 37 far 0 43 0 - 5.5-7.5 QD1 LEU 14 - HA GLU 88 far 0 55 0 - 6.3-7.8 QD1 LEU 42 - HA GLU 37 far 0 43 0 - 6.7-7.3 QD1 ILE 8 - HA GLU 37 far 0 27 0 - 6.8-8.2 QD1 LEU 29 - HA LEU 14 far 0 87 0 - 7.3-8.0 QD2 LEU 14 - HA GLU 88 far 0 35 0 - 7.3-8.5 QD2 LEU 29 - HA LEU 14 far 0 68 0 - 7.6-8.9 QD1 ILE 56 - HA GLU 37 far 0 29 0 - 7.9-10.4 QD1 LEU 29 - HA GLU 88 far 0 42 0 - 9.4-10.4 HG13 ILE 56 - HA GLU 37 far 0 23 0 - 9.5-12.5 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 15 assignments used, quality = 1.00: * QD2 LEU 14 + HA LEU 14 OK 100 100 100 100 3.1-3.9 4.0=69, 2.1/611=63...(28) QD1 LEU 14 + HA LEU 14 OK 75 75 100 100 2.8-3.6 4.0=69, 2.1/611=63...(32) QD2 LEU 6 - HA GLU 37 far 0 36 0 - 5.5-7.5 QD1 LEU 14 - HA GLU 88 far 0 35 0 - 6.3-7.8 QD1 LEU 42 - HA GLU 37 far 0 37 0 - 6.7-7.3 QD1 ILE 8 - HA GLU 37 far 0 45 0 - 6.8-8.2 QD2 LEU 14 - HA GLU 88 far 0 55 0 - 7.3-8.5 HG13 ILE 93 - HA GLU 88 far 0 31 0 - 7.3-10.4 HG3 ARG 81 - HA GLU 88 far 0 35 0 - 7.8-10.7 QD1 ILE 56 - HA GLU 37 far 0 45 0 - 7.9-10.4 QG1 VAL 5 - HA GLU 88 far 0 48 0 - 8.9-10.2 QG1 VAL 5 - HA LEU 14 far 0 94 0 - 8.9-9.9 HG13 ILE 93 - HA LEU 14 far 0 68 0 - 9.0-11.2 HG13 ILE 56 - HA GLU 37 far 0 44 0 - 9.5-12.5 QG1 VAL 58 - HA GLU 37 far 0 42 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 590 from cnoeabs.peaks (8.07, 3.68, 59.00 ppm; 3.93 A): 4 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 3.5-3.9 6245=49, 6256/593=43...(11) H LYS 39 + HA GLU 37 OK 41 43 100 96 4.3-4.6 6591/3.6=59, 6577/3.0=47...(10) H LYS 90 + HA GLU 88 OK 36 38 100 93 4.0-4.7 7408/3.6=50, 7398/3.0=32...(17) H LYS 13 - HA LEU 14 far 0 100 0 - 5.3-5.4 H LYS 90 - HA LEU 14 far 0 81 0 - 5.7-8.0 Violated in 0 structures by 0.00 A. Peak 591 from cnoeabs.peaks (8.06, 3.68, 59.00 ppm; 4.09 A): 4 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 3.5-3.9 6245=50, 6256/593=48...(12) H LYS 90 + HA GLU 88 OK 47 48 100 98 4.0-4.7 7408/3.6=62, 7398/3.0=42...(17) H LYS 39 + HA GLU 37 OK 35 37 100 95 4.3-4.6 6591/3.6=59, 6577/3.0=47...(10) H LYS 13 - HA LEU 14 far 0 98 0 - 5.3-5.4 H LYS 90 - HA LEU 14 far 0 95 0 - 5.7-8.0 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 15 assignments used, quality = 0.96: HB3 LEU 14 + HA LEU 14 OK 59 59 100 100 2.6-3.0 3.0=100 HB2 LYS 13 + HA LEU 14 OK 59 85 75 92 4.1-5.3 3.0/8391=27, 4.0/8389=22...(19) HG3 GLU 88 + HA GLU 88 OK 55 55 100 99 2.8-3.7 3894=57, 1.8/3887=47...(17) * HB2 GLU 17 + HA LEU 14 OK 26 100 30 86 4.0-5.2 3.0/8477=29, 3.0/8478=28...(13) HB2 GLU 37 + HA GLU 37 OK 24 24 100 100 3.0-3.0 3.0=100 HB3 LYS 13 - HA LEU 14 poor 19 82 25 92 3.8-4.6 3.0/8391=27, 4.0/8389=22...(20) HB3 LYS 33 - HA GLU 37 far 0 32 0 - 6.6-8.9 HB VAL 32 - HA GLU 37 far 0 45 0 - 6.8-7.3 HB2 LYS 33 - HA GLU 37 far 0 34 0 - 6.9-9.4 HB2 GLU 17 - HA GLU 88 far 0 55 0 - 7.6-9.8 HB3 LYS 20 - HA LEU 14 far 0 100 0 - 7.8-10.2 HB2 LYS 94 - HA GLU 88 far 0 47 0 - 8.0-10.5 HG3 GLU 88 - HA LEU 14 far 0 100 0 - 8.0-10.8 HB3 ARG 19 - HA LEU 14 far 0 98 0 - 8.2-10.4 HB2 GLU 43 - HA GLU 37 far 0 24 0 - 9.1-10.6 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 95 100 100 95 2.5-3.8 748/8477=38, 3.0/8478=36...(14) HB2 GLU 37 + HA GLU 37 OK 30 30 100 100 3.0-3.0 3.0=100 QE MET 74 - HA GLU 37 far 0 45 0 - 7.1-7.9 HB2 GLU 35 - HA GLU 37 far 0 45 0 - 7.5-8.4 HB3 LYS 94 - HA GLU 88 far 0 49 0 - 7.7-10.0 HB3 GLU 17 - HA GLU 88 far 0 55 0 - 8.0-10.3 HB2 GLU 44 - HA GLU 37 far 0 44 0 - 8.2-10.1 HG12 ILE 93 - HA GLU 88 far 0 35 0 - 8.4-10.5 HB3 GLU 44 - HA GLU 37 far 0 44 0 - 8.9-11.2 HG12 ILE 93 - HA LEU 14 far 0 75 0 - 9.1-11.6 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 2.3-2.8 3.8=81, 602/1.8=71...(22) H GLU 88 - HB2 LEU 14 far 0 93 0 - 7.4-9.1 H LEU 14 - HB ILE 7 far 0 91 0 - 8.7-9.3 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 2.3-3.0 3.0=100 HA LYS 90 - HB ILE 7 far 0 86 0 - 7.3-9.4 HA LEU 14 - HB ILE 7 far 0 91 0 - 7.7-8.5 HA LYS 90 - HB2 LEU 14 far 0 98 0 - 9.0-11.2 HA GLU 88 - HB2 LEU 14 far 0 88 0 - 9.8-11.1 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 LYS 13 - HB2 LEU 14 poor 19 97 20 - 3.9-5.3 HB3 LYS 13 - HB2 LEU 14 far 5 98 5 - 4.0-6.4 HB3 ARG 19 - HB ILE 7 far 0 69 0 - 5.9-9.1 HB2 ARG 19 - HB ILE 7 far 0 88 0 - 6.1-9.2 HB VAL 32 - HB ILE 7 far 0 50 0 - 6.3-6.9 HB2 GLU 17 - HB2 LEU 14 far 0 59 0 - 6.4-7.7 HB ILE 8 - HB ILE 7 far 0 90 0 - 6.7-6.9 HB3 LEU 14 - HB ILE 7 far 0 91 0 - 6.8-8.4 HB3 LYS 12 - HB2 LEU 14 far 0 65 0 - 7.5-8.1 HB2 LYS 12 - HB2 LEU 14 far 0 61 0 - 7.5-8.4 HB ILE 8 - HB2 LEU 14 far 0 100 0 - 8.5-10.6 HB2 GLU 17 - HB ILE 7 far 0 49 0 - 8.7-10.1 HB3 ARG 19 - HB2 LEU 14 far 0 82 0 - 9.4-12.2 HB2 ARG 19 - HB2 LEU 14 far 0 99 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 598 from cnoeabs.peaks (1.35, 1.52, 41.23 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.6-3.0 3.0=100 QB ALA 89 - HB ILE 7 far 9 88 10 - 4.3-5.4 QB ALA 89 - HB2 LEU 14 far 0 99 0 - 4.7-5.8 HG12 ILE 8 - HB ILE 7 far 0 86 0 - 5.7-6.6 HG LEU 14 - HB ILE 7 far 0 91 0 - 5.9-7.9 HB3 ARG 30 - HB ILE 7 far 0 78 0 - 7.0-8.0 QB ALA 67 - HB ILE 7 far 0 86 0 - 8.2-9.1 HG12 ILE 8 - HB2 LEU 14 far 0 98 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 599 from cnoeabs.peaks (0.68, 1.52, 41.23 ppm; 3.29 A): 4 out of 16 assignments used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.0-2.7 3.1=100 QD2 LEU 14 + HB2 LEU 14 OK 75 75 100 100 2.0-3.1 3.1=100 QD1 LEU 29 + HB ILE 7 OK 59 74 100 80 2.9-3.7 10141=24, 2.1/245=21...(13) QD2 LEU 29 + HB ILE 7 OK 31 56 75 74 3.0-4.6 2.1/10141=25...(12) QD2 LEU 14 - HB ILE 7 far 0 63 0 - 4.4-4.8 QD2 LEU 6 - HB ILE 7 far 0 89 0 - 5.1-6.2 QD1 ILE 8 - HB ILE 7 far 0 61 0 - 5.3-7.1 QD1 ILE 56 - HB ILE 7 far 0 64 0 - 6.2-9.2 QD1 LEU 14 - HB ILE 7 far 0 91 0 - 6.4-7.3 HG13 ILE 56 - HB ILE 7 far 0 52 0 - 7.0-9.4 QD1 LEU 29 - HB2 LEU 14 far 0 87 0 - 7.7-9.3 QG2 VAL 58 - HB ILE 7 far 0 91 0 - 7.8-8.4 QD2 LEU 29 - HB2 LEU 14 far 0 68 0 - 8.2-9.9 QD1 ILE 8 - HB2 LEU 14 far 0 73 0 - 8.9-11.2 QG2 VAL 58 - HB2 LEU 14 far 0 100 0 - 9.2-10.3 QG2 VAL 54 - HB ILE 7 far 0 75 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 600 from cnoeabs.peaks (0.71, 1.52, 41.23 ppm; 3.26 A): 3 out of 19 assignments used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.0-3.1 3.1=100 QD1 LEU 14 + HB2 LEU 14 OK 75 75 100 100 2.0-2.7 3.1=100 QG1 VAL 5 + HB ILE 7 OK 45 81 90 61 3.4-4.2 10196=27, 10198/10999=13...(11) QD2 LEU 14 - HB ILE 7 far 0 91 0 - 4.4-4.8 QD2 LEU 6 - HB ILE 7 far 0 77 0 - 5.1-6.2 QD1 ILE 8 - HB ILE 7 far 0 91 0 - 5.3-7.1 HG13 ILE 93 - HB ILE 7 far 0 56 0 - 6.1-7.1 QD1 ILE 56 - HB ILE 7 far 0 91 0 - 6.2-9.2 QG1 VAL 58 - HB ILE 7 far 0 87 0 - 6.3-6.9 QD1 LEU 14 - HB ILE 7 far 0 63 0 - 6.4-7.3 HG13 ILE 56 - HB ILE 7 far 0 90 0 - 7.0-9.4 QG2 VAL 58 - HB ILE 7 far 0 59 0 - 7.8-8.4 QG1 VAL 5 - HB2 LEU 14 far 0 94 0 - 8.6-10.7 QG1 VAL 58 - HB2 LEU 14 far 0 98 0 - 8.7-10.4 QD1 ILE 8 - HB2 LEU 14 far 0 100 0 - 8.9-11.2 QG1 VAL 78 - HB ILE 7 far 0 52 0 - 9.0-12.0 QG2 VAL 78 - HB ILE 7 far 0 86 0 - 9.1-11.6 QG2 VAL 58 - HB2 LEU 14 far 0 71 0 - 9.2-10.3 HG3 ARG 81 - HB ILE 7 far 0 63 0 - 9.9-12.6 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 2.6-3.9 6211=100, 609/1.8=77...(20) H LYS 13 - HB2 LEU 14 far 0 100 0 - 5.0-5.5 H GLU 17 - HB2 LEU 14 far 0 99 0 - 5.6-6.2 H ILE 15 - HB ILE 7 far 0 91 0 - 6.5-7.3 H LYS 90 - HB2 LEU 14 far 0 81 0 - 7.3-9.3 H LYS 90 - HB ILE 7 far 0 68 0 - 7.8-9.5 H GLU 17 - HB ILE 7 far 0 88 0 - 8.1-8.8 Violated in 0 structures by 0.00 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 2.2-2.8 3.8=87, 594/1.8=75...(24) H GLU 88 - HB3 LEU 14 far 0 93 0 - 8.4-9.6 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 2 assignments used, quality = 1.00: * HA LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.6-3.0 3.0=100 HA LYS 90 - HB3 LEU 14 far 0 98 0 - 8.8-11.6 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 0 85 0 - 5.9-7.7 HB ILE 7 - HB3 LEU 14 far 0 100 0 - 6.8-8.4 HG LEU 57 - HB3 LEU 14 far 0 91 0 - 8.1-9.4 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): 1 out of 3 assignments used, quality = 1.00: * HG LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.7-3.0 3.0=100 QB ALA 89 - HB3 LEU 14 far 10 99 10 - 4.7-6.0 HG12 ILE 8 - HB3 LEU 14 far 0 98 0 - 9.3-10.8 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 2.2-3.0 3.1=100 QD2 LEU 14 + HB3 LEU 14 OK 75 75 100 100 1.9-3.1 3.1=100 QD1 LEU 29 - HB3 LEU 14 far 0 87 0 - 7.5-8.9 QD2 LEU 29 - HB3 LEU 14 far 0 68 0 - 7.7-9.5 QD1 ILE 8 - HB3 LEU 14 far 0 73 0 - 9.0-10.1 QG2 VAL 58 - HB3 LEU 14 far 0 100 0 - 9.0-9.9 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 1.9-3.1 3.1=100 QD1 LEU 14 + HB3 LEU 14 OK 75 75 100 100 2.2-3.0 3.1=100 QG1 VAL 58 - HB3 LEU 14 far 0 98 0 - 8.5-9.8 QG1 VAL 5 - HB3 LEU 14 far 0 94 0 - 8.8-9.9 QD1 ILE 8 - HB3 LEU 14 far 0 100 0 - 9.0-10.1 QG2 VAL 58 - HB3 LEU 14 far 0 71 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 609 from cnoeabs.peaks (8.07, 1.90, 41.23 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 15 + HB3 LEU 14 OK 100 100 100 100 2.5-3.5 6211/1.8=80, 4.4=76...(22) H LYS 13 - HB3 LEU 14 far 10 100 10 - 4.7-5.3 H GLU 17 - HB3 LEU 14 far 0 99 0 - 5.7-6.0 H LYS 90 - HB3 LEU 14 far 0 81 0 - 7.5-9.6 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 4.3-4.5 6200=100, 626/2.1=84...(20) H GLU 88 - HG LEU 14 far 0 93 0 - 5.7-7.3 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 2.2-2.8 4.3=65, 3.0/6200=48...(27) HA LYS 90 - HG LEU 14 far 0 98 0 - 6.5-9.3 HA GLU 88 - HG LEU 14 far 0 88 0 - 7.8-9.0 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 2.6-3.0 3.0=100 HB ILE 7 - HG LEU 14 far 0 100 0 - 5.9-7.9 HG LEU 57 - HG LEU 14 far 0 91 0 - 6.0-7.6 HG3 LYS 13 - HG LEU 14 far 0 85 0 - 8.0-8.9 HB2 ARG 91 - HG LEU 14 far 0 65 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 613 from cnoeabs.peaks (1.90, 1.35, 28.11 ppm; 3.83 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 14 + HG LEU 14 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 GLU 17 - HG LEU 14 far 0 59 0 - 5.1-6.1 HB2 LYS 13 - HG LEU 14 far 0 97 0 - 5.6-7.5 HB3 LYS 13 - HG LEU 14 far 0 98 0 - 6.0-7.2 HB3 ARG 19 - HG LEU 14 far 0 82 0 - 7.9-10.7 HB2 ARG 19 - HG LEU 14 far 0 99 0 - 8.1-11.6 HB3 LYS 20 - HG LEU 14 far 0 73 0 - 8.9-11.4 HB ILE 8 - HG LEU 14 far 0 100 0 - 8.9-10.5 HB2 LYS 12 - HG LEU 14 far 0 61 0 - 9.0-9.6 HB2 LYS 20 - HG LEU 14 far 0 98 0 - 9.2-12.6 HB3 LYS 12 - HG LEU 14 far 0 65 0 - 9.2-9.8 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 6 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 QD1 LEU 29 - HG LEU 14 far 0 87 0 - 6.2-8.1 QD2 LEU 29 - HG LEU 14 far 0 68 0 - 6.8-9.2 QG2 VAL 58 - HG LEU 14 far 0 100 0 - 8.4-9.5 QD1 ILE 8 - HG LEU 14 far 0 73 0 - 9.1-11.1 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 7 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 - 7.4-9.0 HG13 ILE 93 - HG LEU 14 far 0 68 0 - 8.0-10.4 QG1 VAL 58 - HG LEU 14 far 0 98 0 - 8.1-9.7 QG2 VAL 58 - HG LEU 14 far 0 71 0 - 8.4-9.5 QD1 ILE 8 - HG LEU 14 far 0 100 0 - 9.1-11.1 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 3.7-4.9 6213=100, 6215/2.1=95...(17) H GLU 17 + HG LEU 14 OK 42 99 65 65 5.0-5.9 6245/611=34...(7) H LYS 90 + HG LEU 14 OK 39 81 55 89 4.8-7.0 9950/8407=40...(11) H LYS 13 - HG LEU 14 far 0 100 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 618 from cnoeabs.peaks (7.55, 0.68, 25.64 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 14 + QD1 LEU 14 OK 100 100 100 100 4.0-4.3 626/2.1=71, 6200/2.1=69...(23) H GLU 88 + QD1 LEU 14 OK 55 93 60 98 4.4-5.9 7400/8402=48...(19) H LEU 38 - QD1 LEU 42 far 4 84 5 - 5.0-5.7 H ILE 76 - QD1 LEU 42 far 0 95 0 - 5.1-6.2 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 6 assignments used, quality = 1.00: * HA LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.8-3.6 4.0=65, 611/2.1=61...(33) HA LEU 42 + QD1 LEU 42 OK 83 83 100 100 3.8-3.9 4.0=64, 1944/2.1=58...(17) HA GLU 88 - QD1 LEU 14 far 0 88 0 - 6.3-7.8 HA LYS 90 - QD1 LEU 14 far 0 98 0 - 6.7-9.4 HA GLU 37 - QD1 LEU 42 far 0 77 0 - 6.7-7.3 HB THR 80 - QD1 LEU 42 far 0 96 0 - 7.6-9.4 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 16 assignments used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.0-2.7 3.1=100 HG12 ILE 56 - QD1 LEU 42 far 0 95 0 - 4.6-6.9 HG2 LYS 73 - QD1 LEU 42 far 0 71 0 - 5.3-7.7 HG LEU 57 - QD1 LEU 14 far 0 91 0 - 5.6-6.9 HG LEU 6 - QD1 LEU 42 far 0 96 0 - 5.8-7.7 HB ILE 7 - QD1 LEU 14 far 0 100 0 - 6.4-7.3 HG3 LYS 13 - QD1 LEU 14 far 0 85 0 - 6.8-7.7 HG3 LYS 66 - QD1 LEU 42 far 0 72 0 - 7.8-9.5 HG2 LYS 66 - QD1 LEU 42 far 0 69 0 - 8.0-9.7 HB2 ARG 91 - QD1 LEU 14 far 0 65 0 - 8.0-10.6 HG2 ARG 79 - QD1 LEU 42 far 0 93 0 - 8.8-12.3 HG3 ARG 30 - QD1 LEU 42 far 0 95 0 - 9.0-11.2 HG2 LYS 47 - QD1 LEU 42 far 0 69 0 - 9.4-11.9 HB3 LEU 64 - QD1 LEU 14 far 0 73 0 - 9.4-10.5 HB3 LEU 64 - QD1 LEU 42 far 0 67 0 - 9.8-11.1 HG3 ARG 79 - QD1 LEU 42 far 0 92 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 621 from cnoeabs.peaks (1.90, 0.68, 25.64 ppm; 3.19 A): 2 out of 19 assignments used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.2-3.0 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 far 5 52 10 - 3.3-4.6 HB2 LYS 13 - QD1 LEU 14 far 0 97 0 - 5.0-6.4 HB3 LYS 13 - QD1 LEU 14 far 0 98 0 - 5.1-6.4 HB VAL 54 - QD1 LEU 42 far 0 89 0 - 5.1-6.6 HB2 GLU 17 - QD1 LEU 14 far 0 59 0 - 5.4-6.9 HB2 GLU 43 - QD1 LEU 42 far 0 96 0 - 7.0-7.3 HB3 LYS 68 - QD1 LEU 42 far 0 69 0 - 7.0-8.6 HB VAL 32 - QD1 LEU 42 far 0 56 0 - 7.1-8.2 HB ILE 8 - QD1 LEU 14 far 0 100 0 - 7.1-8.5 HB3 LYS 12 - QD1 LEU 14 far 0 65 0 - 8.3-8.8 HB ILE 8 - QD1 LEU 42 far 0 95 0 - 8.3-9.9 HB2 LYS 12 - QD1 LEU 14 far 0 61 0 - 8.5-8.8 HB3 ARG 19 - QD1 LEU 14 far 0 82 0 - 8.6-10.9 HB2 ARG 19 - QD1 LEU 14 far 0 99 0 - 8.8-11.3 HB3 LYS 20 - QD1 LEU 14 far 0 73 0 - 8.8-11.4 HB2 LYS 20 - QD1 LEU 14 far 0 98 0 - 9.4-12.5 HB VAL 32 - QD1 LEU 14 far 0 61 0 - 9.7-10.7 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 12 assignments used, quality = 1.00: * HG LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 39 + QD1 LEU 42 OK 87 96 100 91 2.6-3.4 10570=63, 1.8/10568=20...(15) QB ALA 89 + QD1 LEU 14 OK 75 99 85 90 2.5-4.6 10971/8411=28...(21) HB2 LEU 70 + QD1 LEU 42 OK 72 87 100 83 2.4-3.5 1.8/9544=39, 9543=32...(13) QB ALA 67 - QD1 LEU 42 far 0 92 0 - 4.4-5.4 HG3 LYS 40 - QD1 LEU 42 far 0 95 0 - 6.9-7.9 HG12 ILE 8 - QD1 LEU 42 far 0 92 0 - 7.0-8.9 HG3 LYS 68 - QD1 LEU 42 far 0 97 0 - 7.4-9.5 HB2 LYS 82 - QD1 LEU 14 far 0 100 0 - 8.0-9.5 HB3 ARG 30 - QD1 LEU 42 far 0 84 0 - 8.2-9.8 HG12 ILE 8 - QD1 LEU 14 far 0 98 0 - 8.4-9.6 QB ALA 67 - QD1 LEU 14 far 0 98 0 - 9.4-10.5 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): 2 out of 6 assignments used, quality = 0.98: H LYS 39 + QD1 LEU 42 OK 94 95 100 100 3.5-4.0 3.0/8953=54...(23) * H ILE 15 + QD1 LEU 14 OK 70 100 70 100 4.7-5.0 6215/2.1=83, 6213/2.1=65...(19) H LYS 90 - QD1 LEU 14 far 12 81 15 - 4.8-7.5 H GLU 17 - QD1 LEU 14 far 0 99 0 - 5.5-6.7 H GLU 75 - QD1 LEU 42 far 0 96 0 - 5.8-7.0 H LYS 13 - QD1 LEU 14 far 0 100 0 - 6.0-6.6 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 3 assignments used, quality = 1.00: * H LEU 14 + QD2 LEU 14 OK 100 100 100 100 4.0-4.3 6200/2.1=69, 594/3.1=68...(26) H LEU 38 - QD2 LEU 6 poor 15 60 25 - 4.7-7.2 H GLU 88 - QD2 LEU 14 far 0 93 0 - 5.8-7.3 Violated in 16 structures by 0.06 A. Peak 627 from cnoeabs.peaks (3.68, 0.71, 24.35 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 100 100 3.1-3.9 4.0=100 HA LEU 42 - QD2 LEU 6 far 0 59 0 - 5.5-6.8 HA GLU 37 - QD2 LEU 6 far 0 54 0 - 5.5-7.5 HA LYS 90 - QD2 LEU 14 far 0 98 0 - 6.0-8.2 HA GLU 88 - QD2 LEU 14 far 0 88 0 - 7.3-8.5 HB THR 80 - QD2 LEU 6 far 0 72 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 628 from cnoeabs.peaks (1.52, 0.71, 24.35 ppm; 3.13 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.0-3.1 3.1=100 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 41 71 65 88 3.4-4.2 2.9/8717=33, 3.0/8722=26...(17) HB ILE 7 - QD2 LEU 14 far 0 100 0 - 4.4-4.8 HG12 ILE 56 - QD2 LEU 6 far 0 70 0 - 4.4-7.9 HG LEU 57 - QD2 LEU 14 far 0 91 0 - 4.5-5.7 HB ILE 7 - QD2 LEU 6 far 0 72 0 - 5.1-6.2 HG3 LYS 33 - QD2 LEU 6 far 0 63 0 - 6.6-8.8 HG2 LYS 33 - QD2 LEU 6 far 0 54 0 - 6.7-9.1 HG3 LYS 13 - QD2 LEU 14 far 0 85 0 - 7.1-8.3 HB2 LEU 3 - QD2 LEU 6 far 0 47 0 - 7.7-10.7 HG LEU 57 - QD2 LEU 6 far 0 60 0 - 7.8-8.9 HB2 ARG 91 - QD2 LEU 14 far 0 65 0 - 8.4-11.1 HG2 ARG 79 - QD2 LEU 6 far 0 68 0 - 8.5-12.5 HG3 LYS 33 - QD2 LEU 14 far 0 94 0 - 8.6-10.3 HB3 LEU 64 - QD2 LEU 14 far 0 73 0 - 8.7-9.8 HG LEU 2 - QD2 LEU 6 far 0 71 0 - 8.8-11.9 HG12 ILE 56 - QD2 LEU 14 far 0 99 0 - 9.3-10.8 HG3 ARG 79 - QD2 LEU 6 far 0 67 0 - 9.8-12.3 HG LEU 6 - QD2 LEU 14 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 629 from cnoeabs.peaks (1.90, 0.71, 24.35 ppm; 3.28 A): 2 out of 24 assignments used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 100 100 1.9-3.1 3.1=100 HB VAL 32 + QD2 LEU 6 OK 24 37 75 86 3.6-5.5 ~10159=30, ~10337=22...(14) HG LEU 42 - QD2 LEU 6 far 0 71 0 - 4.8-6.0 HB VAL 54 - QD2 LEU 6 far 0 64 0 - 5.0-7.2 HB2 GLU 17 - QD2 LEU 14 far 0 59 0 - 5.3-7.1 HB ILE 8 - QD2 LEU 14 far 0 100 0 - 5.6-6.9 HB2 LYS 13 - QD2 LEU 14 far 0 97 0 - 5.9-7.0 HB3 LYS 13 - QD2 LEU 14 far 0 98 0 - 6.0-7.0 HB ILE 8 - QD2 LEU 6 far 0 71 0 - 6.7-8.4 HB2 ARG 19 - QD2 LEU 14 far 0 99 0 - 7.2-9.5 HB2 LYS 12 - QD2 LEU 14 far 0 61 0 - 7.2-8.2 HB3 ARG 19 - QD2 LEU 14 far 0 82 0 - 7.3-9.4 HB3 LYS 12 - QD2 LEU 14 far 0 65 0 - 7.4-8.4 HB2 ARG 19 - QD2 LEU 6 far 0 69 0 - 7.6-10.8 HB VAL 32 - QD2 LEU 14 far 0 61 0 - 7.6-9.1 HB3 ARG 19 - QD2 LEU 6 far 0 53 0 - 7.7-11.4 HB3 LYS 33 - QD2 LEU 6 far 0 67 0 - 7.9-10.5 HB3 LYS 39 - QD2 LEU 6 far 0 34 0 - 7.9-9.4 HB2 LYS 33 - QD2 LEU 6 far 0 66 0 - 8.2-10.6 HB3 LYS 20 - QD2 LEU 14 far 0 73 0 - 8.6-10.6 HB2 LYS 20 - QD2 LEU 14 far 0 98 0 - 9.1-11.5 HB2 LYS 33 - QD2 LEU 14 far 0 96 0 - 9.3-11.7 HB2 GLU 43 - QD2 LEU 6 far 0 72 0 - 9.4-10.4 HB3 LYS 33 - QD2 LEU 14 far 0 98 0 - 9.7-12.0 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 15 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 84 99 100 85 2.1-3.5 9931/10403=24...(20) HB3 ARG 30 + QD2 LEU 6 OK 51 60 100 85 1.9-2.7 1.8/8717=30, 3.6/8722=17...(17) HG12 ILE 8 - QD2 LEU 6 far 0 67 0 - 4.4-6.5 HG3 LYS 40 - QD2 LEU 6 far 0 70 0 - 5.0-9.2 QB ALA 67 - QD2 LEU 6 far 0 67 0 - 5.3-7.2 HG12 ILE 8 - QD2 LEU 14 far 0 98 0 - 6.6-8.0 HB3 LEU 27 - QD2 LEU 6 far 0 71 0 - 7.1-9.5 HB2 LYS 82 - QD2 LEU 14 far 0 100 0 - 7.8-9.3 QB ALA 67 - QD2 LEU 14 far 0 98 0 - 8.1-9.0 QB ALA 89 - QD2 LEU 6 far 0 69 0 - 8.1-9.4 HB2 LEU 70 - QD2 LEU 6 far 0 62 0 - 8.1-9.8 HG2 LYS 39 - QD2 LEU 6 far 0 72 0 - 8.3-9.7 HB3 LEU 2 - QD2 LEU 6 far 0 64 0 - 8.8-12.0 QB ALA 25 - QD2 LEU 6 far 0 69 0 - 9.1-11.1 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): 1 out of 6 assignments used, quality = 1.00: * H ILE 15 + QD2 LEU 14 OK 100 100 100 100 2.9-3.7 6215=100, 3.0/12020=66...(21) H LYS 90 - QD2 LEU 14 far 0 81 0 - 4.8-7.1 H GLU 17 - QD2 LEU 14 far 0 99 0 - 5.1-6.1 H LYS 13 - QD2 LEU 14 far 0 100 0 - 5.9-6.5 H LYS 39 - QD2 LEU 6 far 0 70 0 - 6.0-7.8 H ILE 15 - QD2 LEU 6 far 0 72 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 634 from cnoeabs.peaks (8.07, 3.26, 65.94 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 15 + HA ILE 15 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 17 - HA ILE 15 far 10 99 10 - 4.5-5.0 H LYS 13 - HA ILE 15 far 0 100 0 - 6.8-7.0 H LYS 90 - HA ILE 15 far 0 81 0 - 7.4-9.1 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 10 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 2.9-3.6 4.1=70, 1.8/670=66...(32) HG3 ARG 19 + HA ILE 15 OK 41 75 65 84 3.9-6.6 6288/6277=26...(14) HD3 LYS 12 - HA ILE 15 far 0 79 0 - 6.2-9.8 HD2 LYS 12 - HA ILE 15 far 0 79 0 - 6.4-9.8 HD2 LYS 90 - HA ILE 15 far 0 99 0 - 7.0-11.2 HD3 LYS 90 - HA ILE 15 far 0 71 0 - 7.0-11.5 HD2 LYS 13 - HA ILE 15 far 0 79 0 - 7.6-10.4 HG2 PRO 86 - HA ILE 15 far 0 63 0 - 8.4-9.8 HD3 LYS 13 - HA ILE 15 far 0 82 0 - 8.5-10.6 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 2.4-2.7 3.2=88, 6218/3.0=45...(37) QG2 ILE 7 + HA ILE 15 OK 90 99 100 91 2.4-3.0 3.0/8261=35, 8283/643=32...(18) QD2 LEU 57 - HA ILE 15 far 0 97 0 - 6.3-8.4 QD1 LEU 57 - HA ILE 15 far 0 94 0 - 6.7-8.6 QG2 ILE 8 - HA ILE 15 far 0 88 0 - 7.8-8.6 QG2 VAL 32 - HA ILE 15 far 0 90 0 - 8.2-9.2 QD2 LEU 38 - HA ILE 15 far 0 98 0 - 9.4-12.2 QD1 LEU 6 - HA ILE 15 far 0 59 0 - 9.6-10.7 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 11 assignments used, quality = 1.00: * HG12 ILE 15 + HA ILE 15 OK 100 100 100 100 2.9-3.6 4.1=72, 1.8/670=68...(33) HB ILE 15 + HA ILE 15 OK 65 65 100 100 3.0-3.0 3.0=100 HD3 LYS 12 - HA ILE 15 far 0 100 0 - 6.2-9.8 HD2 LYS 12 - HA ILE 15 far 0 100 0 - 6.4-9.8 HD3 LYS 90 - HA ILE 15 far 0 100 0 - 7.0-11.5 HD3 LYS 20 - HA ILE 15 far 0 93 0 - 7.4-10.7 HD2 LYS 20 - HA ILE 15 far 0 96 0 - 7.4-10.5 HG3 LYS 20 - HA ILE 15 far 0 93 0 - 7.6-10.8 HD2 LYS 13 - HA ILE 15 far 0 100 0 - 7.6-10.4 HG2 PRO 86 - HA ILE 15 far 0 100 0 - 8.4-9.8 HD3 LYS 13 - HA ILE 15 far 0 99 0 - 8.5-10.6 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 9 assignments used, quality = 1.00: * HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 2.2-2.4 670=56, 2.1/678=51...(38) QD1 ILE 15 + HA ILE 15 OK 100 100 100 100 2.7-3.8 678=65, 2.1/670=47...(34) QD1 ILE 93 - HA ILE 15 far 0 96 0 - 5.4-6.4 QG1 VAL 5 - HA ILE 15 far 0 81 0 - 6.2-7.5 QG2 ILE 8 - HA ILE 15 far 0 73 0 - 7.8-8.6 QG2 ILE 93 - HA ILE 15 far 0 100 0 - 8.0-9.1 HG13 ILE 93 - HA ILE 15 far 0 99 0 - 8.2-9.1 QG1 VAL 58 - HA ILE 15 far 0 70 0 - 8.6-9.7 QD1 LEU 6 - HA ILE 15 far 0 96 0 - 9.6-10.7 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 11 assignments used, quality = 1.00: * QD1 ILE 15 + HA ILE 15 OK 100 100 100 100 2.7-3.8 678=65, 2.1/670=47...(34) HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 2.2-2.4 670=56, 2.1/678=51...(39) QG2 ILE 7 + HA ILE 15 OK 47 59 100 80 2.4-3.0 3.0/8261=38, 8482/643=17...(18) QD1 ILE 93 - HA ILE 15 far 0 99 0 - 5.4-6.4 QG1 VAL 5 - HA ILE 15 far 0 71 0 - 6.2-7.5 QD2 LEU 57 - HA ILE 15 far 0 65 0 - 6.3-8.4 QG2 ILE 8 - HA ILE 15 far 0 82 0 - 7.8-8.6 QG2 ILE 93 - HA ILE 15 far 0 99 0 - 8.0-9.1 HG13 ILE 93 - HA ILE 15 far 0 96 0 - 8.2-9.1 QG1 VAL 58 - HA ILE 15 far 0 59 0 - 8.6-9.7 QD1 LEU 6 - HA ILE 15 far 0 99 0 - 9.6-10.7 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 - 7.4-9.1 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 3.5-4.0 6263=100, 2.9/643=80...(24) H ASP 11 - HA ILE 15 far 0 94 0 - 6.4-7.3 H ASN 10 - HA ILE 15 far 0 97 0 - 7.6-8.3 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 2.6-3.2 772=94, 2.9/6263=40...(21) HB2 LEU 57 - HA ILE 15 far 0 73 0 - 6.4-8.0 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 2.1-2.6 392=57, 10121/2.1=56...(14) Violated in 0 structures by 0.00 A. Peak 645 from cnoeabs.peaks (8.07, 1.73, 37.98 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 15 + HB ILE 15 OK 100 100 100 100 2.2-2.5 6217=100, 6218/2.1=70...(19) H LYS 13 - HB ILE 15 far 0 100 0 - 4.8-5.1 H GLU 17 - HB ILE 15 far 0 99 0 - 4.9-5.5 H LYS 90 - HB ILE 15 far 0 81 0 - 9.8-11.8 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): 1 out of 6 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 far 15 99 15 - 3.9-4.4 QG2 ILE 8 - HB ILE 15 far 0 88 0 - 8.3-9.0 QD2 LEU 57 - HB ILE 15 far 0 97 0 - 8.7-10.8 QG2 VAL 32 - HB ILE 15 far 0 90 0 - 8.9-9.7 QD1 LEU 57 - HB ILE 15 far 0 94 0 - 9.1-11.0 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 5 assignments used, quality = 1.00: * HG13 ILE 15 + HB ILE 15 OK 100 100 100 100 2.7-3.0 2.9=100 QD1 ILE 15 + HB ILE 15 OK 100 100 100 100 2.2-2.3 3.2=84, 680/2.1=43...(30) QD1 ILE 93 - HB ILE 15 far 0 96 0 - 7.6-8.8 QG2 ILE 8 - HB ILE 15 far 0 73 0 - 8.3-9.0 QG1 VAL 5 - HB ILE 15 far 0 81 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 651 from cnoeabs.peaks (0.76, 1.73, 37.98 ppm; 3.05 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 15 + HB ILE 15 OK 100 100 100 100 2.2-2.3 3.2=84, 680/2.1=43...(30) HG13 ILE 15 + HB ILE 15 OK 100 100 100 100 2.7-3.0 2.9=100 QG2 ILE 7 - HB ILE 15 far 9 59 15 - 3.9-4.4 QD1 ILE 93 - HB ILE 15 far 0 99 0 - 7.6-8.8 QG2 ILE 8 - HB ILE 15 far 0 82 0 - 8.3-9.0 QG1 VAL 5 - HB ILE 15 far 0 71 0 - 8.3-9.8 QD2 LEU 57 - HB ILE 15 far 0 65 0 - 8.7-10.8 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 = 1.00: * H GLU 16 + HB ILE 15 OK 100 100 100 100 2.4-2.9 6231=100, 660/2.1=63...(14) H LYS 90 - HB ILE 15 far 0 77 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 653 from cnoeabs.peaks (8.07, 0.81, 17.32 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 15 + QG2 ILE 15 OK 100 100 100 100 3.6-3.8 6218=100, 6217/2.1=88...(18) H GLU 17 - QG2 ILE 15 far 10 99 10 - 4.6-5.2 H LYS 13 - QG2 ILE 15 far 0 100 0 - 5.8-6.3 H LYS 39 - QG2 ILE 8 far 0 68 0 - 7.5-8.6 H ILE 15 - QG2 ILE 8 far 0 70 0 - 8.3-9.1 H LYS 90 - QG2 ILE 15 far 0 81 0 - 8.4-9.8 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 2.4-2.7 3.2=100 HA ILE 15 - QG2 ILE 8 far 0 70 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 655 from cnoeabs.peaks (1.73, 0.81, 17.32 ppm; 2.90 A): 3 out of 25 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 2.1-2.2 3.2=75, 2.1/680=40...(29) HG3 ARG 19 + QG2 ILE 15 OK 50 75 85 78 1.9-4.8 3.0/8516=20, 3.0/8514=18...(11) HD3 LYS 12 - QG2 ILE 15 far 12 79 15 - 3.3-7.0 HD2 LYS 12 - QG2 ILE 15 far 8 79 10 - 3.3-6.7 HD2 LYS 33 - QG2 ILE 8 far 0 70 0 - 5.7-8.5 HG12 ILE 15 - QG2 ILE 8 far 0 39 0 - 6.2-7.2 HB2 LYS 66 - QG2 ILE 8 far 0 37 0 - 6.3-7.4 HD3 LYS 33 - QG2 ILE 8 far 0 70 0 - 6.3-8.0 HB ILE 56 - QG2 ILE 8 far 0 42 0 - 6.7-7.8 HD2 LYS 13 - QG2 ILE 15 far 0 79 0 - 6.8-9.5 HD2 LYS 33 - QG2 ILE 15 far 0 100 0 - 6.8-9.0 HD3 LYS 13 - QG2 ILE 15 far 0 82 0 - 7.1-9.3 HD3 LYS 66 - QG2 ILE 8 far 0 50 0 - 7.2-9.5 HD3 LYS 33 - QG2 ILE 15 far 0 100 0 - 7.4-9.3 HD3 LYS 90 - QG2 ILE 15 far 0 71 0 - 7.7-11.6 HD2 LYS 90 - QG2 ILE 15 far 0 99 0 - 7.9-11.2 HB3 LEU 70 - QG2 ILE 8 far 0 65 0 - 8.0-10.5 HB ILE 15 - QG2 ILE 8 far 0 70 0 - 8.3-9.0 HD2 LYS 12 - QG2 ILE 8 far 0 48 0 - 8.4-12.0 HG LEU 70 - QG2 ILE 8 far 0 46 0 - 8.4-10.1 HB3 LYS 82 - QG2 ILE 8 far 0 40 0 - 8.5-9.9 HG2 PRO 86 - QG2 ILE 15 far 0 63 0 - 9.1-10.3 HD3 LYS 12 - QG2 ILE 8 far 0 48 0 - 9.3-12.3 HB2 GLU 28 - QG2 ILE 15 far 0 98 0 - 9.5-11.0 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): 2 out of 22 assignments used, quality = 1.00: * HG12 ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-2.2 3.2=99, 2.1/680=46...(29) HB ILE 15 + QG2 ILE 15 OK 65 65 100 100 2.1-2.1 2.1=100 HD3 LYS 12 - QG2 ILE 15 poor 19 100 25 77 3.3-7.0 3.0/10394=27...(11) HD2 LYS 12 - QG2 ILE 15 far 10 100 10 - 3.3-6.7 HD2 LYS 33 - QG2 ILE 8 far 0 46 0 - 5.7-8.5 HD3 LYS 20 - QG2 ILE 15 far 0 93 0 - 5.8-9.0 HD2 LYS 20 - QG2 ILE 15 far 0 96 0 - 5.8-8.4 HG3 LYS 20 - QG2 ILE 15 far 0 93 0 - 6.0-8.9 HG12 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.2-7.2 HD3 LYS 33 - QG2 ILE 8 far 0 46 0 - 6.3-8.0 HD2 LYS 13 - QG2 ILE 15 far 0 100 0 - 6.8-9.5 HD2 LYS 33 - QG2 ILE 15 far 0 75 0 - 6.8-9.0 HD3 LYS 13 - QG2 ILE 15 far 0 99 0 - 7.1-9.3 HD3 LYS 66 - QG2 ILE 8 far 0 69 0 - 7.2-9.5 HD3 LYS 33 - QG2 ILE 15 far 0 75 0 - 7.4-9.3 HD3 LYS 90 - QG2 ILE 15 far 0 100 0 - 7.7-11.6 HB3 LEU 70 - QG2 ILE 8 far 0 57 0 - 8.0-10.5 HB ILE 15 - QG2 ILE 8 far 0 39 0 - 8.3-9.0 HD2 LYS 12 - QG2 ILE 8 far 0 69 0 - 8.4-12.0 HG LEU 70 - QG2 ILE 8 far 0 70 0 - 8.4-10.1 HG2 PRO 86 - QG2 ILE 15 far 0 100 0 - 9.1-10.3 HD3 LYS 12 - QG2 ILE 8 far 0 69 0 - 9.3-12.3 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 22 assignments used, quality = 1.00: QD1 ILE 15 + QG2 ILE 15 OK 96 100 100 96 2.5-3.2 680=55, 8467/10123=26...(26) * HG13 ILE 15 + QG2 ILE 15 OK 94 100 100 94 2.5-3.1 3.2=43, 2.1/680=29...(25) QG1 VAL 58 + QG2 ILE 8 OK 28 42 85 79 2.6-3.6 3.2/10703=18...(18) QD1 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.0-5.8 QD1 ILE 93 - QG2 ILE 15 far 0 96 0 - 5.4-6.6 QG1 VAL 5 - QG2 ILE 15 far 0 81 0 - 5.5-7.1 QD1 LEU 6 - QG2 ILE 8 far 0 63 0 - 6.3-7.1 HG13 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.3-7.0 QG2 ILE 8 - QG2 ILE 15 far 0 73 0 - 6.9-7.8 QD1 LEU 64 - QG2 ILE 8 far 0 66 0 - 6.9-7.8 QG2 ILE 93 - QG2 ILE 15 far 0 100 0 - 7.4-8.2 HG13 ILE 93 - QG2 ILE 15 far 0 99 0 - 7.6-9.2 QD1 LEU 6 - QG2 ILE 15 far 0 96 0 - 7.7-9.1 QG1 VAL 5 - QG2 ILE 8 far 0 50 0 - 7.8-8.5 QG1 VAL 58 - QG2 ILE 15 far 0 70 0 - 8.0-9.2 QG2 VAL 78 - QG2 ILE 8 far 0 43 0 - 8.2-10.2 QG1 VAL 54 - QG2 ILE 8 far 0 69 0 - 8.3-9.1 QD2 LEU 42 - QG2 ILE 8 far 0 66 0 - 8.3-9.6 QG1 VAL 78 - QG2 ILE 8 far 0 68 0 - 8.4-10.6 QG1 VAL 54 - QG2 ILE 15 far 0 100 0 - 8.8-9.7 QD1 ILE 93 - QG2 ILE 8 far 0 64 0 - 8.9-10.0 QD1 LEU 27 - QG2 ILE 15 far 0 97 0 - 9.3-10.3 Violated in 4 structures by 0.01 A. Peak 659 from cnoeabs.peaks (0.76, 0.81, 17.32 ppm; 2.40 A): 4 out of 26 assignments used, quality = 1.00: * QD1 ILE 15 + QG2 ILE 15 OK 96 100 100 96 2.5-3.2 680=55, 8467/10123=27...(26) HG13 ILE 15 + QG2 ILE 15 OK 94 100 100 94 2.5-3.1 3.2=43, 2.1/680=29...(25) QG2 ILE 7 + QG2 ILE 15 OK 32 59 100 54 2.0-3.1 3.0/276=8, 8730/10123=7...(16) QG1 VAL 58 + QG2 ILE 8 OK 22 35 85 75 2.6-3.6 3.2/10703=18...(17) QG2 ILE 7 - QG2 ILE 8 far 0 35 0 - 4.9-5.1 QD1 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.0-5.8 QD1 ILE 93 - QG2 ILE 15 far 0 99 0 - 5.4-6.6 QG1 VAL 5 - QG2 ILE 15 far 0 71 0 - 5.5-7.1 QD1 LEU 6 - QG2 ILE 8 far 0 67 0 - 6.3-7.1 HG13 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.3-7.0 QD2 LEU 57 - QG2 ILE 15 far 0 65 0 - 6.4-8.5 QD2 LEU 57 - QG2 ILE 8 far 0 39 0 - 6.8-7.6 QG2 ILE 8 - QG2 ILE 15 far 0 82 0 - 6.9-7.8 QD1 LEU 64 - QG2 ILE 8 far 0 61 0 - 6.9-7.8 QG2 ILE 93 - QG2 ILE 15 far 0 99 0 - 7.4-8.2 HG13 ILE 93 - QG2 ILE 15 far 0 96 0 - 7.6-9.2 QD1 LEU 6 - QG2 ILE 15 far 0 99 0 - 7.7-9.1 QG1 VAL 5 - QG2 ILE 8 far 0 43 0 - 7.8-8.5 QG1 VAL 58 - QG2 ILE 15 far 0 59 0 - 8.0-9.2 QG2 VAL 78 - QG2 ILE 8 far 0 36 0 - 8.2-10.2 QG1 VAL 54 - QG2 ILE 8 far 0 70 0 - 8.3-9.1 QD2 LEU 42 - QG2 ILE 8 far 0 69 0 - 8.3-9.6 QG1 VAL 78 - QG2 ILE 8 far 0 65 0 - 8.4-10.6 QG1 VAL 54 - QG2 ILE 15 far 0 100 0 - 8.8-9.7 QD1 ILE 93 - QG2 ILE 8 far 0 67 0 - 8.9-10.0 QD1 LEU 27 - QG2 ILE 15 far 0 99 0 - 9.3-10.3 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 2.4-3.4 6231/2.1=84, 4.4=69...(22) H LYS 90 - QG2 ILE 15 far 0 77 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 661 from cnoeabs.peaks (8.07, 1.69, 29.43 ppm; 3.53 A): 2 out of 22 assignments used, quality = 1.00: * H ILE 15 + HG12 ILE 15 OK 100 100 100 100 3.9-4.2 6217/2.9=67, 669/1.8=63...(17) H LYS 90 + HD3 LYS 90 OK 80 80 100 99 2.8-4.2 7419/2.9=42, 3.0/3918=42...(21) H GLU 17 - HD3 LYS 20 poor 13 65 40 52 3.4-7.7 6250/12146=12, ~894=6...(18) H GLU 17 - HD2 LYS 20 poor 11 71 30 52 3.5-6.7 6250/12058=14...(18) H LYS 90 - HB3 ARG 91 far 7 67 10 - 4.4-6.3 H LYS 13 - HD3 LYS 12 far 0 68 0 - 4.5-6.6 H LYS 13 - HD2 LYS 12 far 0 68 0 - 4.9-6.7 H ILE 15 - HD2 LYS 12 far 0 68 0 - 5.3-8.2 H ILE 15 - HD3 LYS 12 far 0 68 0 - 5.3-8.0 H GLU 17 - HD3 LYS 90 far 0 98 0 - 5.4-9.6 H LYS 13 - HG12 ILE 15 far 0 100 0 - 6.7-7.5 H GLU 17 - HD2 LYS 12 far 0 64 0 - 6.9-10.8 H GLU 17 - HD3 LYS 12 far 0 64 0 - 7.0-10.7 H GLU 17 - HG12 ILE 15 far 0 99 0 - 7.0-7.5 H ILE 15 - HD3 LYS 20 far 0 69 0 - 7.6-11.2 H ILE 15 - HD2 LYS 20 far 0 74 0 - 7.7-10.6 H ILE 15 - HD3 LYS 90 far 0 100 0 - 7.8-12.5 H LYS 90 - HD3 LYS 20 far 0 48 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 53 0 - 8.1-11.6 H LYS 13 - HD3 LYS 20 far 0 69 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 74 0 - 8.9-11.7 H LYS 13 - HD3 LYS 90 far 0 100 0 - 9.9-15.1 Violated in 3 structures by 0.01 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 2.9-3.6 4.1=100 HA ILE 15 - HD3 LYS 12 far 0 68 0 - 6.2-9.8 HA ILE 15 - HD2 LYS 12 far 0 68 0 - 6.4-9.8 HA ILE 15 - HD3 LYS 90 far 0 100 0 - 7.0-11.5 HA ILE 15 - HD3 LYS 20 far 0 69 0 - 7.4-10.7 HA ILE 15 - HD2 LYS 20 far 0 74 0 - 7.4-10.5 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): 2 out of 32 assignments used, quality = 1.00: * QG2 ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.1-2.2 3.2=97, 680/2.1=45...(29) QG2 ILE 7 + HG12 ILE 15 OK 93 99 100 94 1.9-3.2 680/2.1=36, 672/1.8=36...(21) QG2 ILE 15 - HD3 LYS 12 poor 17 68 25 - 3.3-7.0 QG2 ILE 15 - HD2 LYS 12 far 7 68 10 - 3.3-6.7 QD2 LEU 2 - HD2 LYS 47 far 0 88 0 - 5.6-10.6 QG2 ILE 15 - HD3 LYS 20 far 0 69 0 - 5.8-9.0 QG2 ILE 15 - HD2 LYS 20 far 0 74 0 - 5.8-8.4 QD1 LEU 57 - HB3 ARG 91 far 0 81 0 - 5.9-8.0 QG2 ILE 8 - HG12 ILE 15 far 0 88 0 - 6.2-7.2 QG2 ILE 7 - HD3 LYS 12 far 0 64 0 - 6.3-9.5 QD2 LEU 2 - HD3 LYS 47 far 0 90 0 - 6.4-11.4 QG2 VAL 32 - HG12 ILE 15 far 0 90 0 - 6.6-7.7 QG2 ILE 7 - HD2 LYS 12 far 0 64 0 - 6.6-9.2 QG2 ILE 52 - HD2 LYS 47 far 0 60 0 - 6.8-9.6 QD1 ILE 76 - HD3 LYS 47 far 0 87 0 - 7.0-8.9 QD2 LEU 57 - HD3 LYS 90 far 0 97 0 - 7.1-10.2 QD2 LEU 57 - HG12 ILE 15 far 0 97 0 - 7.1-9.8 QD1 LEU 57 - HD3 LYS 90 far 0 93 0 - 7.2-9.9 QG2 ILE 52 - HD3 LYS 47 far 0 62 0 - 7.3-9.7 QD2 LEU 57 - HB3 ARG 91 far 0 85 0 - 7.3-9.1 QD1 ILE 76 - HD2 LYS 47 far 0 86 0 - 7.4-9.6 QG2 ILE 15 - HD3 LYS 90 far 0 100 0 - 7.7-11.6 QG2 ILE 7 - HD3 LYS 90 far 0 98 0 - 7.7-11.5 QD1 LEU 57 - HG12 ILE 15 far 0 94 0 - 7.9-10.4 QG2 ILE 7 - HD2 LYS 20 far 0 71 0 - 8.0-10.9 QD2 LEU 38 - HG12 ILE 15 far 0 98 0 - 8.2-11.4 QG2 ILE 8 - HD2 LYS 12 far 0 54 0 - 8.4-12.0 QG2 ILE 7 - HD3 LYS 20 far 0 65 0 - 8.4-11.3 QD1 LEU 6 - HG12 ILE 15 far 0 59 0 - 8.6-10.1 QD1 LEU 6 - HD3 LYS 47 far 0 48 0 - 9.2-13.4 QG2 ILE 8 - HD3 LYS 12 far 0 54 0 - 9.3-12.3 QD1 LEU 6 - HD2 LYS 47 far 0 47 0 - 9.4-13.4 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): 2 out of 47 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 - HD3 LYS 12 far 10 67 15 - 3.0-6.2 QD1 ILE 15 - HD2 LYS 12 far 3 67 5 - 2.8-6.2 QD1 ILE 93 - HD3 LYS 90 far 0 96 0 - 3.7-6.7 HG13 ILE 15 - HD3 LYS 12 far 0 68 0 - 5.3-9.0 HG13 ILE 15 - HD2 LYS 12 far 0 68 0 - 5.6-8.9 QG2 ILE 93 - HD3 LYS 90 far 0 100 0 - 5.6-8.2 HG13 ILE 93 - HD3 LYS 90 far 0 98 0 - 5.8-9.6 QD1 ILE 93 - HB3 ARG 91 far 0 84 0 - 6.1-7.2 QG2 ILE 8 - HG12 ILE 15 far 0 73 0 - 6.2-7.2 QD1 ILE 93 - HD2 LYS 20 far 0 68 0 - 6.5-9.1 HG13 ILE 93 - HB3 ARG 91 far 0 87 0 - 6.5-9.7 QD1 ILE 93 - HD3 LYS 20 far 0 62 0 - 6.8-9.7 QG2 ILE 52 - HD2 LYS 47 far 0 71 0 - 6.8-9.6 QG1 VAL 5 - HG12 ILE 15 far 0 81 0 - 6.9-8.9 QG1 VAL 5 - HD3 LYS 90 far 0 80 0 - 7.1-10.7 QD1 ILE 93 - HG12 ILE 15 far 0 96 0 - 7.1-8.9 QG2 ILE 52 - HD3 LYS 47 far 0 73 0 - 7.3-9.7 QG2 ILE 93 - HD2 LYS 20 far 0 74 0 - 7.3-10.4 QG2 ILE 93 - HB3 ARG 91 far 0 90 0 - 7.7-8.2 QG1 VAL 58 - HG12 ILE 15 far 0 70 0 - 7.8-9.5 QG2 ILE 93 - HD3 LYS 20 far 0 68 0 - 8.1-10.1 QD1 LEU 27 - HD3 LYS 90 far 0 97 0 - 8.3-11.7 HG3 ARG 81 - HB3 ARG 91 far 0 84 0 - 8.3-11.1 QG2 ILE 8 - HD2 LYS 12 far 0 42 0 - 8.4-12.0 QD1 ILE 15 - HD2 LYS 20 far 0 74 0 - 8.5-10.9 QD1 ILE 15 - HD3 LYS 20 far 0 68 0 - 8.6-11.3 QD1 LEU 6 - HG12 ILE 15 far 0 96 0 - 8.6-10.1 QG1 VAL 5 - HB3 ARG 91 far 0 67 0 - 8.7-10.4 QG1 VAL 5 - HD2 LYS 20 far 0 53 0 - 8.9-11.6 QD2 LEU 42 - HD3 LYS 47 far 0 86 0 - 8.9-11.3 HG13 ILE 93 - HD2 LYS 20 far 0 71 0 - 9.0-13.2 QD1 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.0-12.9 HG13 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.1-13.3 QG1 VAL 54 - HD2 LYS 47 far 0 87 0 - 9.1-12.9 QD1 LEU 6 - HD3 LYS 47 far 0 82 0 - 9.2-13.4 QG1 VAL 54 - HD3 LYS 47 far 0 88 0 - 9.3-13.2 QG2 ILE 8 - HD3 LYS 12 far 0 42 0 - 9.3-12.3 HG13 ILE 15 - HD3 LYS 20 far 0 69 0 - 9.3-12.7 QD2 LEU 42 - HD2 LYS 47 far 0 84 0 - 9.3-11.1 QD1 LEU 6 - HD2 LYS 47 far 0 81 0 - 9.4-13.4 HG13 ILE 15 - HD2 LYS 20 far 0 74 0 - 9.4-12.3 QD1 LEU 27 - HB3 ARG 91 far 0 85 0 - 9.5-10.8 QG1 VAL 5 - HD3 LYS 20 far 0 48 0 - 9.5-11.8 QG2 ILE 93 - HG12 ILE 15 far 0 100 0 - 9.7-11.2 HG13 ILE 93 - HG12 ILE 15 far 0 99 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 667 from cnoeabs.peaks (0.76, 1.69, 29.43 ppm; 2.79 A): 3 out of 56 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 QG2 ILE 7 + HG12 ILE 15 OK 41 59 100 69 1.9-3.2 ~8469=15, ~10118=14...(19) QD1 ILE 15 - HD3 LYS 12 far 10 68 15 - 3.0-6.2 QD1 ILE 15 - HD2 LYS 12 far 3 68 5 - 2.8-6.2 QD1 ILE 93 - HD3 LYS 90 far 0 99 0 - 3.7-6.7 HG13 ILE 15 - HD3 LYS 12 far 0 67 0 - 5.3-9.0 HG13 ILE 15 - HD2 LYS 12 far 0 67 0 - 5.6-8.9 QG2 ILE 93 - HD3 LYS 90 far 0 99 0 - 5.6-8.2 HG13 ILE 93 - HD3 LYS 90 far 0 95 0 - 5.8-9.6 QD1 ILE 93 - HB3 ARG 91 far 0 88 0 - 6.1-7.2 QG2 ILE 8 - HG12 ILE 15 far 0 82 0 - 6.2-7.2 QG2 ILE 7 - HD3 LYS 12 far 0 33 0 - 6.3-9.5 QD1 ILE 93 - HD2 LYS 20 far 0 71 0 - 6.5-9.1 HG13 ILE 93 - HB3 ARG 91 far 0 83 0 - 6.5-9.7 QG2 ILE 7 - HD2 LYS 12 far 0 33 0 - 6.6-9.2 QD1 ILE 93 - HD3 LYS 20 far 0 66 0 - 6.8-9.7 QG2 ILE 52 - HD2 LYS 47 far 0 78 0 - 6.8-9.6 QG1 VAL 5 - HG12 ILE 15 far 0 71 0 - 6.9-8.9 QG1 VAL 5 - HD3 LYS 90 far 0 71 0 - 7.1-10.7 QD1 ILE 93 - HG12 ILE 15 far 0 99 0 - 7.1-8.9 QD2 LEU 57 - HD3 LYS 90 far 0 65 0 - 7.1-10.2 QD2 LEU 57 - HG12 ILE 15 far 0 65 0 - 7.1-9.8 QG2 ILE 52 - HD3 LYS 47 far 0 79 0 - 7.3-9.7 QD2 LEU 57 - HB3 ARG 91 far 0 54 0 - 7.3-9.1 QG2 ILE 93 - HD2 LYS 20 far 0 72 0 - 7.3-10.4 QG2 ILE 93 - HB3 ARG 91 far 0 88 0 - 7.7-8.2 QG2 ILE 7 - HD3 LYS 90 far 0 59 0 - 7.7-11.5 QG1 VAL 58 - HG12 ILE 15 far 0 59 0 - 7.8-9.5 QG2 ILE 7 - HD2 LYS 20 far 0 37 0 - 8.0-10.9 QG2 ILE 93 - HD3 LYS 20 far 0 66 0 - 8.1-10.1 QD1 LEU 27 - HD3 LYS 90 far 0 99 0 - 8.3-11.7 HG3 ARG 81 - HB3 ARG 91 far 0 79 0 - 8.3-11.1 QG2 ILE 8 - HD2 LYS 12 far 0 49 0 - 8.4-12.0 QG2 ILE 7 - HD3 LYS 20 far 0 34 0 - 8.4-11.3 QD1 ILE 15 - HD2 LYS 20 far 0 74 0 - 8.5-10.9 QD1 ILE 15 - HD3 LYS 20 far 0 69 0 - 8.6-11.3 QD1 LEU 6 - HG12 ILE 15 far 0 99 0 - 8.6-10.1 QG1 VAL 5 - HB3 ARG 91 far 0 59 0 - 8.7-10.4 QG1 VAL 5 - HD2 LYS 20 far 0 46 0 - 8.9-11.6 QD2 LEU 42 - HD3 LYS 47 far 0 88 0 - 8.9-11.3 HG13 ILE 93 - HD2 LYS 20 far 0 67 0 - 9.0-13.2 QD1 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.0-12.9 HG13 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.1-13.3 QG1 VAL 54 - HD2 LYS 47 far 0 88 0 - 9.1-12.9 QD1 LEU 6 - HD3 LYS 47 far 0 86 0 - 9.2-13.4 QG1 VAL 54 - HD3 LYS 47 far 0 90 0 - 9.3-13.2 QG2 ILE 8 - HD3 LYS 12 far 0 49 0 - 9.3-12.3 HG13 ILE 15 - HD3 LYS 20 far 0 68 0 - 9.3-12.7 QD2 LEU 42 - HD2 LYS 47 far 0 87 0 - 9.3-11.1 QD1 LEU 6 - HD2 LYS 47 far 0 85 0 - 9.4-13.4 HG13 ILE 15 - HD2 LYS 20 far 0 74 0 - 9.4-12.3 QD1 LEU 27 - HB3 ARG 91 far 0 88 0 - 9.5-10.8 QG1 VAL 5 - HD3 LYS 20 far 0 42 0 - 9.5-11.8 QG2 ILE 93 - HG12 ILE 15 far 0 99 0 - 9.7-11.2 HG13 ILE 93 - HG12 ILE 15 far 0 96 0 - 9.9-11.8 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 12 assignments used, quality = 0.95: H LYS 90 + HD3 LYS 90 OK 77 77 100 100 2.8-4.2 3.0/3918=61, 7421/1.8=56...(22) * H GLU 16 + HG12 ILE 15 OK 60 100 60 100 4.9-5.3 6231/2.9=81, 684/2.1=68...(11) H LYS 90 + HB3 ARG 91 OK 43 64 75 89 4.4-6.3 7431/3.9=50, 7453/4.3=41...(10) H ARG 46 - HD3 LYS 47 poor 18 88 20 - 4.5-6.9 H GLU 16 - HD3 LYS 12 far 10 68 15 - 4.4-8.0 H GLU 16 - HD2 LYS 12 far 7 68 10 - 4.4-8.0 H ARG 46 - HD2 LYS 47 far 4 87 5 - 5.1-6.9 H GLU 16 - HD2 LYS 20 far 0 74 0 - 5.2-8.3 H GLU 16 - HD3 LYS 20 far 0 69 0 - 5.3-8.7 H GLU 16 - HD3 LYS 90 far 0 100 0 - 7.7-11.9 H LYS 90 - HD3 LYS 20 far 0 46 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 50 0 - 8.1-11.6 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 2.5-3.9 6217/2.9=77, 6218/3.2=65...(21) H LYS 13 - HG13 ILE 15 far 0 100 0 - 5.9-7.6 H GLU 17 - HG13 ILE 15 far 0 99 0 - 6.1-7.0 H LYS 90 - HG13 ILE 15 far 0 81 0 - 9.0-10.9 Violated in 2 structures by 0.00 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 2.2-2.4 4.1=84, 678/2.1=74...(40) 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 12 assignments used, quality = 1.00: * HB ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.7-3.0 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 - 4.5-8.5 HD3 LYS 12 - HG13 ILE 15 far 0 79 0 - 5.3-9.0 HD2 LYS 12 - HG13 ILE 15 far 0 79 0 - 5.6-8.9 HD2 LYS 13 - HG13 ILE 15 far 0 79 0 - 8.1-11.6 HD3 LYS 13 - HG13 ILE 15 far 0 82 0 - 8.3-11.6 HD2 LYS 33 - HG13 ILE 15 far 0 100 0 - 8.7-11.1 HD2 LYS 90 - HG13 ILE 15 far 0 99 0 - 8.9-13.2 HD3 LYS 33 - HG13 ILE 15 far 0 100 0 - 8.9-11.3 HG2 PRO 86 - HG13 ILE 15 far 0 63 0 - 9.0-11.5 HD3 LYS 90 - HG13 ILE 15 far 0 71 0 - 9.1-13.3 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 2.5-3.1 3.2=81, 680/2.1=42...(28) QG2 ILE 7 + HG13 ILE 15 OK 92 99 100 94 1.9-2.8 680/2.1=34, 664/1.8=30...(21) QG2 ILE 8 - HG13 ILE 15 far 0 88 0 - 6.3-7.0 QD2 LEU 57 - HG13 ILE 15 far 0 97 0 - 6.8-8.9 QG2 VAL 32 - HG13 ILE 15 far 0 90 0 - 6.8-8.8 QD1 LEU 57 - HG13 ILE 15 far 0 94 0 - 7.3-9.0 QD2 LEU 38 - HG13 ILE 15 far 0 98 0 - 8.2-11.1 QD1 LEU 6 - HG13 ILE 15 far 0 59 0 - 8.7-10.8 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 13 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 2.7-3.0 2.9=100 HD3 LYS 12 - HG13 ILE 15 far 0 100 0 - 5.3-9.0 HD2 LYS 12 - HG13 ILE 15 far 0 100 0 - 5.6-8.9 HD2 LYS 13 - HG13 ILE 15 far 0 100 0 - 8.1-11.6 HD3 LYS 13 - HG13 ILE 15 far 0 99 0 - 8.3-11.6 HD2 LYS 33 - HG13 ILE 15 far 0 75 0 - 8.7-11.1 HD3 LYS 33 - HG13 ILE 15 far 0 75 0 - 8.9-11.3 HG2 PRO 86 - HG13 ILE 15 far 0 100 0 - 9.0-11.5 HD3 LYS 90 - HG13 ILE 15 far 0 100 0 - 9.1-13.3 HD3 LYS 20 - HG13 ILE 15 far 0 93 0 - 9.3-12.7 HD2 LYS 20 - HG13 ILE 15 far 0 96 0 - 9.4-12.3 HG3 LYS 20 - HG13 ILE 15 far 0 93 0 - 9.6-12.9 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 4.5-4.9 6231/2.9=96, 684/2.1=89...(14) H LYS 90 - HG13 ILE 15 far 0 77 0 - 9.0-10.9 Violated in 0 structures by 0.00 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 1.9-3.1 6217/3.2=64, 669/2.1=62...(20) H LYS 13 + QD1 ILE 15 OK 56 100 60 93 4.2-4.9 3.6/8446=49...(12) H GLU 17 - QD1 ILE 15 far 0 99 0 - 5.5-6.4 H LYS 90 - QD1 ILE 15 far 0 81 0 - 8.0-10.8 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 2.7-3.8 4.2=68, 670/2.1=64...(35) Violated in 15 structures by 0.06 A. Peak 679 from cnoeabs.peaks (1.73, 0.76, 13.00 ppm; 2.95 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.2-2.3 3.2=76, 2.1/680=41...(30) HG12 ILE 15 + QD1 ILE 15 OK 65 65 100 100 2.1-2.1 2.1=100 HD3 LYS 12 - QD1 ILE 15 far 12 79 15 - 3.0-6.2 HD2 LYS 12 - QD1 ILE 15 far 8 79 10 - 2.8-6.2 HG3 ARG 19 - QD1 ILE 15 far 0 75 0 - 5.4-7.9 HD2 LYS 33 - QD1 ILE 15 far 0 100 0 - 5.6-8.3 HD3 LYS 33 - QD1 ILE 15 far 0 100 0 - 5.7-7.8 HD2 LYS 13 - QD1 ILE 15 far 0 79 0 - 6.0-8.4 HD3 LYS 13 - QD1 ILE 15 far 0 82 0 - 6.2-8.5 HG2 PRO 86 - QD1 ILE 15 far 0 63 0 - 7.6-9.9 HD3 LYS 90 - QD1 ILE 15 far 0 71 0 - 9.0-12.9 HD2 LYS 90 - QD1 ILE 15 far 0 99 0 - 9.3-12.8 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 96 100 100 96 2.5-3.2 3.0=52, 10123/8467=27...(28) QG2 ILE 7 + QD1 ILE 15 OK 77 99 95 83 2.5-3.3 8282/8467=24...(18) QG2 ILE 8 - QD1 ILE 15 far 0 88 0 - 5.0-5.8 QG2 VAL 32 - QD1 ILE 15 far 0 90 0 - 6.5-7.2 QD2 LEU 57 - QD1 ILE 15 far 0 97 0 - 6.5-8.9 QD1 LEU 57 - QD1 ILE 15 far 0 94 0 - 7.1-9.1 QD2 LEU 38 - QD1 ILE 15 far 0 98 0 - 7.5-9.4 QD1 LEU 6 - QD1 ILE 15 far 0 59 0 - 8.4-9.5 Violated in 20 structures by 0.06 A. Peak 681 from cnoeabs.peaks (1.69, 0.76, 13.00 ppm; 2.89 A): 2 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 HB ILE 15 + QD1 ILE 15 OK 65 65 100 99 2.2-2.3 3.2=72, 2.1/680=40...(29) HD3 LYS 12 - QD1 ILE 15 far 15 100 15 - 3.0-6.2 HD2 LYS 12 - QD1 ILE 15 far 10 100 10 - 2.8-6.2 HD2 LYS 33 - QD1 ILE 15 far 0 75 0 - 5.6-8.3 HD3 LYS 33 - QD1 ILE 15 far 0 75 0 - 5.7-7.8 HD2 LYS 13 - QD1 ILE 15 far 0 100 0 - 6.0-8.4 HD3 LYS 13 - QD1 ILE 15 far 0 99 0 - 6.2-8.5 HG2 PRO 86 - QD1 ILE 15 far 0 100 0 - 7.6-9.9 HD2 LYS 20 - QD1 ILE 15 far 0 96 0 - 8.5-10.9 HD3 LYS 20 - QD1 ILE 15 far 0 93 0 - 8.6-11.3 HG3 LYS 20 - QD1 ILE 15 far 0 93 0 - 8.8-11.7 HD3 LYS 90 - QD1 ILE 15 far 0 100 0 - 9.0-12.9 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 4.0-4.3 6231/3.2=80, 660/3.0=73...(15) H LYS 90 - QD1 ILE 15 far 0 77 0 - 8.0-10.8 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 2.8-2.8 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 - 5.9-8.2 H GLY 101 - HA GLU 95 far 0 47 0 - 7.2-9.7 H GLU 16 - HA LYS 20 far 0 81 0 - 8.1-9.6 H LYS 90 - HA GLU 16 far 0 77 0 - 9.1-11.3 H LYS 90 - HA LYS 20 far 0 55 0 - 9.7-11.3 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): 1 out of 26 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 98 - HA GLU 95 poor 18 30 95 64 2.0-4.7 1.8/4376=23, 4368=22...(6) HB2 GLU 23 - HA LYS 20 poor 15 77 20 - 3.6-4.6 HB3 GLU 98 - HA GLU 95 poor 13 29 45 - 3.5-4.9 HB2 GLU 16 - HA GLU 17 far 6 55 10 - 4.0-5.5 HB2 GLU 99 - HA GLU 95 far 0 29 0 - 4.4-7.1 HB2 MET 21 - HA GLU 17 far 0 41 0 - 4.8-7.2 HB3 PRO 86 - HA GLU 17 far 0 37 0 - 4.8-6.9 HB3 GLU 99 - HA GLU 95 far 0 23 0 - 5.1-7.9 HB2 MET 21 - HA LYS 20 far 0 62 0 - 5.5-6.5 QE MET 21 - HA LYS 20 far 0 65 0 - 5.8-6.3 HB2 GLU 16 - HA LYS 20 far 0 81 0 - 5.8-8.4 QE MET 21 - HA GLU 95 far 0 37 0 - 6.0-7.3 QE MET 21 - HA GLU 17 far 0 43 0 - 6.5-7.8 HG12 ILE 93 - HA GLU 17 far 0 27 0 - 7.0-10.8 HB2 MET 21 - HA GLU 16 far 0 85 0 - 7.2-9.4 HG12 ILE 93 - HA LYS 20 far 0 43 0 - 7.5-10.5 HB3 PRO 86 - HA GLU 16 far 0 79 0 - 8.0-10.0 HG12 ILE 93 - HA GLU 16 far 0 61 0 - 8.3-11.4 HG12 ILE 93 - HA GLU 95 far 0 23 0 - 8.5-9.6 HB2 MET 21 - HA GLU 95 far 0 35 0 - 8.7-10.9 HG3 GLU 104 - HA GLU 95 far 0 38 0 - 9.0-18.2 HB2 GLU 23 - HA GLU 16 far 0 99 0 - 9.1-10.5 QE MET 21 - HA GLU 16 far 0 88 0 - 9.1-9.8 HG3 GLU 28 - HA LYS 20 far 0 76 0 - 9.3-13.4 HB2 GLU 23 - HA GLU 17 far 0 52 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 688 from cnoeabs.peaks (2.17, 4.04, 59.03 ppm; 3.30 A): 4 out of 11 assignments used, quality = 1.00: * HB3 GLU 16 + HA GLU 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 23 + HA LYS 20 OK 58 76 100 76 2.2-3.4 6366/6358=36, 705=30...(7) HB3 GLU 95 + HA GLU 95 OK 47 47 100 100 2.2-3.0 3.0=100 HB2 GLU 95 + HA GLU 95 OK 22 22 100 100 2.5-3.0 3.0=100 HB3 GLU 16 - HA GLU 17 far 8 55 15 - 4.1-5.6 HB3 GLU 16 - HA LYS 20 far 0 81 0 - 6.3-8.8 HG3 PRO 86 - HA GLU 17 far 0 36 0 - 6.9-9.0 HB3 GLU 23 - HA GLU 16 far 0 98 0 - 7.8-9.6 HB3 GLU 23 - HA GLU 17 far 0 52 0 - 8.1-9.1 HG2 GLU 104 - HA GLU 95 far 0 41 0 - 9.6-17.2 HG3 PRO 86 - HA GLU 16 far 0 77 0 - 9.9-12.2 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 2.5-3.7 712=100, 6239/3.0=60...(26) HG2 GLU 16 - HA GLU 17 poor 11 55 20 - 2.9-6.5 HG2 GLU 16 - HA LYS 20 far 0 81 0 - 7.0-9.6 Violated in 0 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 2.4-4.0 1.8/712=82, 4.1=71...(23) HG2 GLU 23 + HA LYS 20 OK 41 58 90 79 2.0-4.9 1.8/10471=41...(8) HG2 GLU 95 + HA GLU 95 OK 34 34 100 100 2.1-4.2 4.1=69, 1.8/4308=61...(10) HG3 GLU 16 - HA GLU 17 poor 11 55 20 - 3.5-6.5 HG2 GLU 23 - HA GLU 16 far 0 81 0 - 6.9-9.2 HG2 GLU 23 - HA GLU 17 far 0 38 0 - 7.6-10.2 HG3 GLU 16 - HA LYS 20 far 0 81 0 - 7.8-10.3 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 3.5-3.6 3.6=87, 6250/3.0=55...(9) 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 - 5.1-5.4 H LYS 90 - HA GLU 17 far 0 48 0 - 5.9-8.2 H ILE 15 - HA GLU 17 far 0 52 0 - 6.8-7.3 H GLU 17 - HA LYS 20 far 0 81 0 - 7.0-8.2 H LYS 13 - HA GLU 16 far 0 98 0 - 7.1-7.6 H SER 102 - HA GLU 95 far 0 48 0 - 8.0-12.4 H LYS 13 - HA GLU 17 far 0 52 0 - 8.2-9.2 H LYS 90 - HA GLU 16 far 0 95 0 - 9.1-11.3 H LYS 90 - HA LYS 20 far 0 72 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 692 from cnoeabs.peaks (8.90, 4.04, 59.03 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 19 + HA GLU 16 OK 100 100 100 100 3.1-3.6 6278=62, 6279/3.6=50...(19) H ARG 19 + HA GLU 17 OK 54 55 100 98 4.2-4.9 6281/3.6=66, 6279/2.9=57...(9) H ARG 19 - HA LYS 20 far 0 81 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 693 from cnoeabs.peaks (1.89, 4.04, 59.03 ppm; 3.21 A): 3 out of 24 assignments used, quality = 0.96: HB2 LYS 20 + HA LYS 20 OK 80 80 100 100 2.4-3.0 3.0=100 * HB2 ARG 19 + HA GLU 16 OK 58 100 65 90 2.5-4.7 1.8/798=32, 788=29...(15) HB3 ARG 19 + HA GLU 16 OK 51 63 95 85 2.2-4.6 1.8/788=27, 3.0/8503=23...(16) HB2 ARG 19 - HA LYS 20 far 4 81 5 - 4.1-5.6 HB2 LYS 20 - HA GLU 17 far 3 55 5 - 2.7-5.5 HB3 ARG 19 - HA LYS 20 far 0 44 0 - 4.2-5.6 HB3 ARG 19 - HA GLU 17 far 0 28 0 - 4.9-7.3 HB2 LYS 94 - HA GLU 95 far 0 31 0 - 5.0-5.6 HB2 LYS 20 - HA GLU 16 far 0 100 0 - 5.1-8.0 HB2 LYS 12 - HA GLU 16 far 0 81 0 - 5.7-6.4 HB2 ARG 19 - HA GLU 17 far 0 55 0 - 5.9-7.5 HB3 LYS 13 - HA GLU 17 far 0 44 0 - 6.6-8.3 HB3 LYS 12 - HA GLU 16 far 0 84 0 - 7.1-7.9 HB3 LEU 14 - HA GLU 16 far 0 99 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 90 0 - 7.5-8.1 HB2 LYS 13 - HA GLU 17 far 0 42 0 - 7.5-9.0 HB2 LYS 13 - HA GLU 16 far 0 87 0 - 7.8-8.6 HB3 LEU 14 - HA GLU 17 far 0 53 0 - 8.0-8.5 HB2 LYS 12 - HA GLU 17 far 0 38 0 - 8.5-9.9 HB2 LYS 94 - HA GLU 17 far 0 36 0 - 8.9-11.9 HB2 LYS 94 - HA LYS 20 far 0 55 0 - 9.5-11.3 HB VAL 5 - HA LYS 20 far 0 54 0 - 9.7-10.5 HB3 LYS 12 - HA GLU 17 far 0 40 0 - 9.7-11.0 HB VAL 5 - HA GLU 16 far 0 75 0 - 9.8-10.8 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 27 assignments used, quality = 0.99: HB3 LYS 20 + HA LYS 20 OK 80 80 100 100 2.4-3.0 3.0=100 * HB3 ARG 19 + HA GLU 16 OK 79 100 90 88 2.2-4.6 798=33, 1.8/788=24...(16) HB2 GLU 17 + HA GLU 17 OK 52 52 100 100 2.4-2.6 2.9=100 HB2 ARG 19 + HA GLU 16 OK 31 63 60 81 2.5-4.7 1.8/798=30, 3.0/8503=21...(14) HB3 LYS 20 + HA GLU 17 OK 27 55 80 61 2.7-4.9 870=24, 6325/6323=14...(10) HB2 ARG 19 - HA LYS 20 far 0 44 0 - 4.1-5.6 HB3 ARG 19 - HA LYS 20 far 0 81 0 - 4.2-5.6 HB3 LYS 24 - HA LYS 20 far 0 50 0 - 4.7-7.9 HB3 ARG 19 - HA GLU 17 far 0 55 0 - 4.9-7.3 HB2 LYS 24 - HA LYS 20 far 0 50 0 - 4.9-7.6 HB3 LYS 20 - HA GLU 16 far 0 100 0 - 4.9-6.8 HB2 LYS 94 - HA GLU 95 far 0 47 0 - 5.0-5.6 HB2 ARG 19 - HA GLU 17 far 0 28 0 - 5.9-7.5 HB2 GLU 17 - HA GLU 16 far 0 98 0 - 6.5-6.6 HB3 LYS 13 - HA GLU 17 far 0 50 0 - 6.6-8.3 HB3 LEU 14 - HA GLU 16 far 0 82 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 96 0 - 7.5-8.1 HB2 LYS 13 - HA GLU 17 far 0 51 0 - 7.5-9.0 HB2 GLU 17 - HA LYS 20 far 0 76 0 - 7.6-8.3 HB2 LYS 13 - HA GLU 16 far 0 98 0 - 7.8-8.6 HB3 LYS 24 - HA GLU 17 far 0 33 0 - 7.9-11.1 HB3 LEU 14 - HA GLU 17 far 0 39 0 - 8.0-8.5 HB2 LYS 24 - HA GLU 17 far 0 33 0 - 8.9-11.1 HB2 LYS 94 - HA GLU 17 far 0 54 0 - 8.9-11.9 HB2 LYS 94 - HA LYS 20 far 0 79 0 - 9.5-11.3 HB2 LYS 24 - HA GLU 95 far 0 28 0 - 9.6-12.8 HB3 LYS 24 - HA GLU 95 far 0 28 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 695 from cnoeabs.peaks (4.15, 2.08, 29.20 ppm; 3.05 A): 1 out of 4 assignments used, quality = 0.95: HA GLU 23 + HB2 GLU 23 OK 95 95 100 100 2.4-2.6 3.0=100 ! HA LYS 13 - HB2 GLU 16 far 10 100 10 - 3.3-5.2 HA GLU 62 - HB3 GLU 35 far 0 61 0 - 7.6-11.5 HA LYS 47 - HB3 GLU 43 far 0 93 0 - 8.1-9.6 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 2.3-3.6 6237=100, 6238/1.8=81...(13) H ARG 46 - HB3 GLU 43 far 0 95 0 - 5.1-5.8 H LYS 90 - HB2 GLU 16 far 0 77 0 - 9.6-12.0 Violated in 17 structures by 0.15 A. Peak 697 from cnoeabs.peaks (4.04, 2.08, 29.20 ppm; 3.23 A): 1 out of 9 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 far 10 95 10 - 3.6-4.6 HA GLU 17 - HB2 GLU 16 far 5 99 5 - 4.0-5.5 HA LYS 66 - HB3 GLU 35 far 0 61 0 - 4.5-8.2 HA LEU 70 - HB3 GLU 35 far 0 75 0 - 5.7-9.4 HA LYS 20 - HB2 GLU 16 far 0 100 0 - 5.8-8.4 HA ARG 46 - HB3 GLU 43 far 0 72 0 - 7.5-8.3 HA GLU 16 - HB2 GLU 23 far 0 96 0 - 9.1-10.5 HA GLU 17 - HB2 GLU 23 far 0 95 0 - 9.7-10.7 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 13 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 63 81 100 77 2.2-2.9 3.0=51, 6695/6694=17...(13) HG2 GLU 35 + HB3 GLU 35 OK 57 65 100 87 2.4-3.0 2.9=54, 1.8/1551=21...(23) HG3 GLU 35 + HB3 GLU 35 OK 56 65 100 86 2.2-3.0 2.9=54, 1.8/1551=21...(22) HG2 GLU 44 - HB3 GLU 43 far 0 68 0 - 3.7-6.6 HB2 GLU 69 - HB3 GLU 35 far 0 50 0 - 5.8-9.3 HB2 GLU 63 - HB3 GLU 35 far 0 63 0 - 6.3-9.3 HG2 GLU 69 - HB3 GLU 35 far 0 50 0 - 6.8-10.8 HB3 GLU 69 - HB3 GLU 35 far 0 50 0 - 7.4-10.9 HB3 GLU 23 - HB2 GLU 16 far 0 98 0 - 8.2-11.2 HG3 PRO 86 - HB2 GLU 16 far 0 77 0 - 9.1-11.9 HG2 GLU 43 - HB3 GLU 35 far 0 78 0 - 9.8-13.1 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 2.8-3.0 3.0=91, 712/3.0=40...(26) HG3 GLU 43 + HB3 GLU 43 OK 88 89 100 99 2.2-3.0 3.0=92, 6696/6694=33...(21) HG3 GLU 44 - HB3 GLU 43 poor 6 90 30 22 3.3-6.9 4.8/6707=20, 2247=2 HB2 TYR 41 - HB3 GLU 43 far 0 80 0 - 6.6-7.1 HG3 GLU 69 - HB3 GLU 35 far 0 93 0 - 8.3-11.7 HG2 GLU 48 - HB3 GLU 43 far 0 96 0 - 9.7-12.3 HB2 TYR 41 - HB3 GLU 35 far 0 76 0 - 9.8-12.7 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 10 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...(22) HG3 GLU 43 + HB3 GLU 43 OK 76 80 100 95 2.2-3.0 3.0=77, 6696/6694=26...(19) HG2 GLU 23 + HB2 GLU 23 OK 71 74 100 97 2.6-3.0 2.9=86, 4303/1.8=25...(15) HB2 TYR 41 - HB3 GLU 43 far 0 89 0 - 6.6-7.1 HG2 GLU 63 - HB3 GLU 35 far 0 93 0 - 6.8-10.3 HG2 GLU 62 - HB3 GLU 35 far 0 58 0 - 6.9-10.3 HG3 GLU 62 - HB3 GLU 35 far 0 58 0 - 7.0-11.4 HG2 GLU 23 - HB2 GLU 16 far 0 81 0 - 7.9-10.7 HG2 GLU 48 - HB3 GLU 43 far 0 61 0 - 9.7-12.3 HB2 TYR 41 - HB3 GLU 35 far 0 86 0 - 9.8-12.7 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 6 assignments used, quality = 1.00: * H GLU 17 + HB2 GLU 16 OK 100 100 100 100 2.3-3.7 6250=100, 710/1.8=70...(7) H LYS 39 - HB3 GLU 35 far 0 81 0 - 4.5-6.6 H ILE 15 - HB2 GLU 16 far 0 99 0 - 4.8-6.3 H LYS 13 - HB2 GLU 16 far 0 98 0 - 5.2-7.3 H LYS 39 - HB3 GLU 43 far 0 85 0 - 7.1-8.3 H LYS 90 - HB2 GLU 16 far 0 95 0 - 9.6-12.0 Violated in 2 structures by 0.02 A. Peak 703 from cnoeabs.peaks (4.15, 2.17, 29.20 ppm; 3.22 A): 2 out of 7 assignments used, quality = 0.98: HA GLU 23 + HB3 GLU 23 OK 94 94 100 100 3.0-3.0 3.0=100 * HA LYS 13 + HB3 GLU 16 OK 64 100 70 92 2.8-5.0 493/1.8=59, 494=46...(7) HA MET 1 - HB3 GLN 50 far 0 80 0 - 5.7-8.9 HA GLU 99 - HB3 GLU 95 far 0 48 0 - 5.7-8.9 HA GLU 98 - HB3 GLU 95 far 0 45 0 - 6.6-8.4 HA LYS 47 - HB3 GLN 50 far 0 77 0 - 6.8-9.1 HA GLU 104 - HB3 GLU 95 far 0 52 0 - 9.7-17.0 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 5 assignments used, quality = 1.00: * H GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.5-3.6 6238=100, 6237/1.8=78...(13) H GLY 101 - HB3 GLU 95 far 0 72 0 - 6.6-11.4 H LYS 90 - HB3 GLU 95 far 0 49 0 - 8.4-11.7 H LYS 90 - HB3 GLU 16 far 0 77 0 - 8.8-12.1 H ARG 46 - HB3 GLN 50 far 0 79 0 - 9.7-11.0 Violated in 3 structures by 0.02 A. Peak 705 from cnoeabs.peaks (4.04, 2.17, 29.20 ppm; 3.15 A): 3 out of 9 assignments used, quality = 1.00: * HA GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 20 + HB3 GLU 23 OK 68 94 100 72 2.2-3.4 857=32, 6358/6366=32...(6) HA GLU 95 + HB3 GLU 95 OK 59 59 100 100 2.2-3.0 3.0=100 HA GLU 17 - HB3 GLU 16 far 0 99 0 - 4.1-5.6 HB2 SER 49 - HB3 GLN 50 far 0 75 0 - 4.4-6.8 HA LYS 20 - HB3 GLU 16 far 0 100 0 - 6.3-8.8 HA ARG 46 - HB3 GLN 50 far 0 56 0 - 7.7-9.3 HA GLU 16 - HB3 GLU 23 far 0 95 0 - 7.8-9.6 HA GLU 17 - HB3 GLU 23 far 0 94 0 - 8.1-9.1 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 21 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 HB2 GLU 98 - HB3 GLU 95 far 0 48 0 - 3.6-7.6 HB2 GLU 99 - HB3 GLU 95 far 0 46 0 - 3.7-8.5 HB3 GLU 48 - HB3 GLN 50 far 0 58 0 - 4.5-6.4 HB3 GLU 99 - HB3 GLU 95 far 0 38 0 - 4.6-9.4 HB3 GLU 98 - HB3 GLU 95 far 0 46 0 - 4.7-7.2 QE MET 21 - HB3 GLU 23 far 0 80 0 - 5.3-6.3 HB2 MET 21 - HB3 GLU 23 far 0 77 0 - 6.3-6.9 QE MET 21 - HB3 GLU 95 far 0 58 0 - 6.3-8.8 HB3 PRO 86 - HB3 GLU 16 far 0 79 0 - 6.4-10.3 HG12 ILE 93 - HB3 GLU 95 far 0 38 0 - 7.9-10.3 HG3 GLU 104 - HB3 GLU 95 far 0 59 0 - 8.1-18.2 HB2 GLU 16 - HB3 GLU 23 far 0 95 0 - 8.2-11.2 HB2 MET 21 - HB3 GLU 16 far 0 85 0 - 8.3-10.7 HB3 GLU 88 - HB3 GLU 95 far 0 73 0 - 8.3-11.0 HB2 MET 21 - HB3 GLU 95 far 0 56 0 - 8.5-11.8 HG12 ILE 93 - HB3 GLU 23 far 0 54 0 - 8.6-11.2 HG2 GLU 28 - HB3 GLU 23 far 0 91 0 - 8.9-12.0 HG3 GLU 28 - HB3 GLU 23 far 0 91 0 - 9.4-11.8 QE MET 21 - HB3 GLU 16 far 0 88 0 - 9.7-11.1 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 3 assignments used, quality = 1.00: * HG2 GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 GLU 48 - HB3 GLN 50 far 0 80 0 - 4.9-7.6 HD3 ARG 81 - HB3 GLU 95 far 0 49 0 - 8.4-12.2 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...(27) HG2 GLU 23 + HB3 GLU 23 OK 72 72 100 100 2.2-3.0 2.9=100 HG2 GLU 95 + HB3 GLU 95 OK 53 53 100 100 2.3-3.0 2.9=100 HB2 GLU 48 - HB3 GLN 50 poor 6 80 25 30 3.0-5.4 10630/6814=11...(6) HG2 GLU 48 - HB3 GLN 50 far 0 47 0 - 4.9-7.6 HG2 GLU 23 - HB3 GLU 16 far 0 81 0 - 8.1-11.8 HD3 ARG 81 - HB3 GLU 95 far 0 70 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 710 from cnoeabs.peaks (8.06, 2.17, 29.20 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 17 + HB3 GLU 16 OK 100 100 100 100 2.3-3.9 6251=95, 6250/1.8=80...(9) H ILE 15 - HB3 GLU 16 far 0 99 0 - 4.7-6.3 H LYS 13 - HB3 GLU 16 far 0 98 0 - 5.2-7.1 H SER 102 - HB3 GLU 95 far 0 73 0 - 6.5-13.0 H LYS 90 - HB3 GLU 95 far 0 65 0 - 8.4-11.7 H LYS 90 - HB3 GLU 16 far 0 95 0 - 8.8-12.1 H GLU 17 - HB3 GLU 23 far 0 95 0 - 9.6-10.8 Violated in 6 structures by 0.08 A. Peak 711 from cnoeabs.peaks (8.02, 2.34, 36.00 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 16 + HG2 GLU 16 OK 100 100 100 100 1.9-3.8 6239=100, 6240/1.8=81...(12) H ARG 46 - HG3 GLU 44 far 4 72 5 - 4.6-7.0 H ARG 46 - HG3 GLU 43 far 0 61 0 - 5.4-7.1 H ARG 46 - HG2 GLU 48 far 0 81 0 - 5.6-8.1 H LYS 90 - HG2 GLU 16 far 0 77 0 - 8.4-12.9 Violated in 0 structures by 0.00 A. Peak 712 from cnoeabs.peaks (4.04, 2.34, 36.00 ppm; 3.31 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 16 + HG2 GLU 16 OK 100 100 100 100 2.5-3.7 689=71, 3.0/6239=48...(25) HA LYS 66 - HG3 GLU 69 far 10 69 15 - 4.0-5.4 HA GLU 17 - HG2 GLU 16 far 10 99 10 - 2.9-6.5 HA ARG 46 - HG2 GLU 48 far 0 58 0 - 5.6-7.7 HA LEU 70 - HG3 GLU 69 far 0 83 0 - 6.3-6.6 HA ARG 46 - HG3 GLU 43 far 0 42 0 - 6.9-9.3 HB2 SER 49 - HG2 GLU 48 far 0 78 0 - 7.0-8.4 HA LYS 20 - HG2 GLU 16 far 0 100 0 - 7.0-9.6 HA ARG 46 - HG3 GLU 44 far 0 50 0 - 7.1-9.8 HA LEU 70 - HG3 GLU 43 far 0 47 0 - 8.3-10.5 HB2 SER 49 - HG3 GLU 44 far 0 68 0 - 9.0-13.3 HB2 SER 49 - HG3 GLU 43 far 0 58 0 - 9.7-13.9 Violated in 6 structures by 0.09 A. Peak 713 from cnoeabs.peaks (2.08, 2.34, 36.00 ppm; 2.86 A): 3 out of 21 assignments used, quality = 1.00: * HB2 GLU 16 + HG2 GLU 16 OK 99 100 100 99 2.8-3.0 3.0=85, 3.0/712=38...(16) HB3 GLU 48 + HG2 GLU 48 OK 58 60 100 97 2.2-3.0 3.0=85, ~2253=23...(14) HB3 GLU 43 + HG3 GLU 43 OK 58 59 100 98 2.2-3.0 3.0=86, 6694/6696=31...(26) HB3 GLU 43 - HG3 GLU 44 poor 4 70 30 21 3.3-6.9 6707/4.8=19, 700=3 HB2 MET 74 - HG3 GLU 43 far 0 58 0 - 3.8-7.6 HB3 GLU 48 - HG3 GLU 44 far 0 52 0 - 5.6-10.9 HB3 PRO 86 - HG2 GLU 16 far 0 79 0 - 6.1-9.7 HG2 GLU 28 - HG3 GLU 44 far 0 69 0 - 7.2-12.7 HB3 LEU 38 - HG3 GLU 43 far 0 62 0 - 8.0-10.6 HG3 GLU 28 - HG2 GLU 48 far 0 78 0 - 8.0-13.2 HB3 GLU 35 - HG3 GLU 69 far 0 99 0 - 8.3-11.7 HB2 MET 21 - HG2 GLU 16 far 0 85 0 - 8.3-12.0 HB2 LEU 64 - HG3 GLU 69 far 0 61 0 - 8.5-10.1 HG3 GLU 28 - HG3 GLU 44 far 0 69 0 - 8.8-12.7 HG2 GLU 28 - HG2 GLU 48 far 0 78 0 - 9.4-13.0 HB2 MET 74 - HG3 GLU 44 far 0 68 0 - 9.5-12.3 HG12 ILE 93 - HG2 GLU 16 far 0 61 0 - 9.7-13.5 QE MET 21 - HG2 GLU 16 far 0 88 0 - 9.7-11.9 HB3 GLU 43 - HG2 GLU 48 far 0 79 0 - 9.7-12.3 HB3 LEU 38 - HG3 GLU 69 far 0 99 0 - 9.8-12.9 HG3 GLU 37 - HG3 GLU 43 far 0 36 0 - 9.9-13.0 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 21 assignments used, quality = 1.00: * HB3 GLU 16 + HG2 GLU 16 OK 91 100 100 91 2.2-2.8 3.0=52, 3.0/712=26...(14) 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 HB3 GLU 69 + HG3 GLU 69 OK 48 57 100 85 2.3-2.9 3.0=53, 3.0/3118=26...(11) HB2 GLU 69 + HG3 GLU 69 OK 48 57 100 85 2.8-3.0 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 HB3 GLN 50 - HG2 GLU 48 far 0 80 0 - 4.9-7.6 HB2 GLN 72 - HG3 GLU 69 far 0 99 0 - 5.1-7.4 HG2 GLU 43 - HG3 GLU 44 far 0 58 0 - 5.1-8.9 HG2 GLU 44 - HG3 GLU 43 far 0 40 0 - 5.6-8.6 HG2 GLU 44 - HG2 GLU 48 far 0 55 0 - 6.1-9.8 HG3 PRO 86 - HG2 GLU 16 far 0 77 0 - 7.1-11.7 HG2 MET 1 - HG2 GLU 48 far 0 52 0 - 8.1-13.2 HB3 GLU 75 - HG3 GLU 43 far 0 48 0 - 8.3-12.1 HG3 GLU 35 - HG3 GLU 43 far 0 40 0 - 8.7-12.2 HG2 GLU 35 - HG3 GLU 43 far 0 40 0 - 8.9-12.1 HG2 GLU 75 - HG3 GLU 43 far 0 61 0 - 9.3-13.9 HG3 GLU 75 - HG3 GLU 43 far 0 60 0 - 9.4-13.5 HG2 GLU 35 - HG3 GLU 69 far 0 73 0 - 9.4-13.8 HG3 GLU 35 - HG3 GLU 69 far 0 73 0 - 9.8-13.7 HB2 GLU 75 - HG3 GLU 43 far 0 41 0 - 9.9-13.8 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 74 83 100 90 2.4-3.0 3.0=51, 2253/1.8=34...(16) HB2 TYR 41 - HG3 GLU 44 far 0 66 0 - 3.9-8.2 HG2 GLU 48 - HG3 GLU 44 far 0 42 0 - 5.3-9.3 HG3 GLU 43 - HG3 GLU 44 far 0 57 0 - 5.4-8.9 HB2 TYR 41 - HG3 GLU 43 far 0 56 0 - 6.7-8.8 HB2 TYR 4 - HG3 GLU 44 far 0 72 0 - 7.1-10.8 HB2 GLU 48 - HG3 GLU 44 far 0 73 0 - 7.3-12.0 HB2 TYR 4 - HG2 GLU 48 far 0 81 0 - 7.4-11.3 HG3 GLU 62 - HG3 GLU 69 far 0 65 0 - 8.4-11.2 HG2 GLU 62 - HG3 GLU 69 far 0 65 0 - 8.5-12.0 HG2 GLU 23 - HG2 GLU 16 far 0 81 0 - 9.0-12.7 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 1.9-4.5 6250/3.0=72, 710/3.0=66...(6) H ILE 15 + HG2 GLU 16 OK 62 99 90 70 3.7-5.9 4.6/6239=43, 6252=27...(5) H LYS 13 - HG2 GLU 16 poor 20 98 20 - 4.3-6.2 H LYS 39 - HG3 GLU 43 far 0 52 0 - 6.0-8.1 H GLU 75 - HG3 GLU 43 far 0 58 0 - 8.1-11.5 H LYS 90 - HG2 GLU 16 far 0 95 0 - 8.4-12.9 H LYS 39 - HG3 GLU 44 far 0 62 0 - 9.4-12.9 H GLU 75 - HG3 GLU 69 far 0 96 0 - 9.6-10.3 Violated in 14 structures by 0.04 A. Peak 718 from cnoeabs.peaks (8.02, 2.30, 36.00 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 16 + HG3 GLU 16 OK 100 100 100 100 2.6-3.5 6240=100, 6239/1.8=84...(11) H ARG 46 - HG3 GLU 43 far 0 47 0 - 5.4-7.1 H LYS 90 - HG3 GLU 16 far 0 77 0 - 8.5-13.2 H GLU 16 - HG2 GLU 23 far 0 50 0 - 9.6-11.6 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 11 assignments used, quality = 1.00: * HA GLU 16 + HG3 GLU 16 OK 100 100 100 100 2.4-4.0 4.1=75, 689/1.8=74...(23) HA LYS 20 + HG2 GLU 23 OK 35 48 90 80 2.0-4.9 10471/1.8=43...(7) HA GLU 17 - HG3 GLU 16 poor 20 99 20 - 3.5-6.5 HB3 SER 59 - HG2 GLU 63 far 0 99 0 - 4.9-7.8 HA GLU 16 - HG2 GLU 23 far 0 50 0 - 6.9-9.2 HA ARG 46 - HG3 GLU 43 far 0 32 0 - 6.9-9.3 HA GLU 17 - HG2 GLU 23 far 0 48 0 - 7.6-10.2 HA LYS 20 - HG3 GLU 16 far 0 100 0 - 7.8-10.3 HA LYS 66 - HG2 GLU 63 far 0 71 0 - 8.1-9.7 HA LEU 70 - HG3 GLU 43 far 0 36 0 - 8.3-10.5 HB2 SER 49 - HG3 GLU 43 far 0 45 0 - 9.7-13.9 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...(16) HB2 GLU 23 + HG2 GLU 23 OK 47 47 100 100 2.6-3.0 2.9=100 HB3 GLU 43 + HG3 GLU 43 OK 45 46 100 100 2.2-3.0 3.0=100 HB3 GLU 62 - HG2 GLU 63 far 15 97 15 - 3.3-7.3 HB2 MET 74 - HG3 GLU 43 far 2 45 5 - 3.8-7.6 HB2 LEU 64 - HG2 GLU 63 far 0 63 0 - 5.7-7.1 HB2 MET 21 - HG2 GLU 23 far 0 37 0 - 5.8-8.1 HB3 PRO 86 - HG3 GLU 16 far 0 79 0 - 5.8-9.4 QE MET 21 - HG2 GLU 23 far 0 38 0 - 5.9-7.5 HG2 GLU 28 - HG2 GLU 23 far 0 46 0 - 6.3-10.9 HB3 GLU 35 - HG2 GLU 63 far 0 100 0 - 6.8-10.3 HG3 GLU 28 - HG2 GLU 23 far 0 46 0 - 7.7-10.6 HB2 GLU 16 - HG2 GLU 23 far 0 50 0 - 7.9-10.7 HB3 LEU 38 - HG3 GLU 43 far 0 48 0 - 8.0-10.6 HB3 LEU 38 - HG2 GLU 63 far 0 100 0 - 8.1-11.4 HG12 ILE 93 - HG2 GLU 23 far 0 24 0 - 8.1-10.9 HB2 MET 21 - HG3 GLU 16 far 0 85 0 - 8.3-12.6 QE MET 21 - HG3 GLU 16 far 0 88 0 - 9.7-12.4 HG3 GLU 37 - HG3 GLU 43 far 0 27 0 - 9.9-13.0 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 15 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 64 73 100 88 2.3-3.0 3.0=67, 3.0/2766=19...(10) HB3 GLU 23 + HG2 GLU 23 OK 43 46 100 93 2.2-3.0 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 - 5.6-8.6 HG3 PRO 86 - HG3 GLU 16 far 0 77 0 - 6.9-11.2 HB3 GLU 16 - HG2 GLU 23 far 0 50 0 - 8.1-11.8 HB3 GLU 75 - HG3 GLU 43 far 0 36 0 - 8.3-12.1 HG2 GLU 35 - HG2 GLU 63 far 0 75 0 - 8.7-12.7 HG3 GLU 35 - HG3 GLU 43 far 0 30 0 - 8.7-12.2 HG2 GLU 35 - HG3 GLU 43 far 0 30 0 - 8.9-12.1 HG2 GLU 75 - HG3 GLU 43 far 0 47 0 - 9.3-13.9 HG3 GLU 75 - HG3 GLU 43 far 0 46 0 - 9.4-13.5 HG3 GLU 35 - HG2 GLU 63 far 0 75 0 - 9.5-12.6 HB2 GLU 75 - HG3 GLU 43 far 0 31 0 - 9.9-13.8 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 - 5.4-8.9 HB2 TYR 41 - HG3 GLU 43 far 0 36 0 - 6.7-8.8 HG2 GLU 16 - HG2 GLU 23 far 0 50 0 - 9.0-12.7 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 7 assignments used, quality = 1.00: * H GLU 17 + HG3 GLU 16 OK 100 100 100 100 2.0-4.5 6253=80, 6250/3.0=76...(7) H LYS 13 + HG3 GLU 16 OK 58 98 80 74 4.4-5.8 2.9/8479=38, ~493=30...(6) H ILE 15 + HG3 GLU 16 OK 34 99 45 77 4.4-5.4 4.6/6240=47, 6252/1.8=27...(5) H LYS 39 - HG3 GLU 43 far 0 40 0 - 6.0-8.1 H GLU 75 - HG3 GLU 43 far 0 45 0 - 8.1-11.5 H LYS 90 - HG3 GLU 16 far 0 95 0 - 8.5-13.2 H GLU 17 - HG2 GLU 23 far 0 50 0 - 9.0-11.3 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 3.5-3.6 3.6=87, 6250/3.0=55...(9) H ILE 15 - HA GLU 16 far 0 52 0 - 5.1-5.4 H LYS 90 - HA GLU 17 far 0 95 0 - 5.9-8.2 H ILE 15 - HA GLU 17 far 0 99 0 - 6.8-7.3 H LYS 13 - HA GLU 16 far 0 52 0 - 7.1-7.6 H LYS 13 - HA GLU 17 far 0 98 0 - 8.2-9.2 H LYS 39 - HA LYS 66 far 0 49 0 - 8.5-10.8 H LYS 90 - HA GLU 16 far 0 48 0 - 9.1-11.3 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): 3 out of 17 assignments used, quality = 1.00: * HB2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 LYS 20 + HA GLU 17 OK 44 100 75 59 2.7-4.9 870=21, 871/732=15...(10) HB3 ARG 19 + HA GLU 16 OK 31 52 75 81 2.2-4.6 798=28, 1.8/788=21...(12) HB3 ARG 19 - HA GLU 17 far 0 98 0 - 4.9-7.3 HB3 LYS 20 - HA GLU 16 far 0 54 0 - 4.9-6.8 HB2 GLU 17 - HA GLU 16 far 0 55 0 - 6.5-6.6 HB3 LYS 13 - HA GLU 17 far 0 82 0 - 6.6-8.3 HB2 LYS 73 - HA LYS 66 far 0 52 0 - 7.3-8.7 HB3 LEU 14 - HA GLU 16 far 0 26 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 39 0 - 7.5-8.1 HB2 LYS 13 - HA GLU 17 far 0 85 0 - 7.5-9.0 HB2 LYS 13 - HA GLU 16 far 0 41 0 - 7.8-8.6 HB3 LYS 24 - HA GLU 17 far 0 91 0 - 7.9-11.1 HB3 LEU 14 - HA GLU 17 far 0 59 0 - 8.0-8.5 HB3 LYS 73 - HA LYS 66 far 0 53 0 - 8.7-10.0 HB2 LYS 24 - HA GLU 17 far 0 91 0 - 8.9-11.1 HB2 LYS 94 - HA GLU 17 far 0 93 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 728 from cnoeabs.peaks (2.01, 4.05, 58.64 ppm; 3.42 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 17 + HA GLU 17 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 GLU 35 - HA LYS 66 far 0 59 0 - 5.1-9.6 HB3 GLU 17 - HA GLU 16 far 0 55 0 - 5.6-6.0 HB2 GLU 62 - HA LYS 66 far 0 57 0 - 6.6-9.0 HG12 ILE 93 - HA GLU 17 far 0 75 0 - 7.0-10.8 HG12 ILE 93 - HA GLU 16 far 0 35 0 - 8.3-11.4 QE MET 74 - HA LYS 66 far 0 58 0 - 8.7-10.1 HB3 LYS 94 - HA GLU 17 far 0 96 0 - 9.7-12.7 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 7 assignments used, quality = 1.00: * HG2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.2-3.8 3.9=92, 748/2.9=76...(14) HG2 GLU 17 - HA GLU 16 far 0 55 0 - 5.2-7.1 HG3 GLU 62 - HA LYS 66 far 0 50 0 - 5.2-8.3 HG2 GLU 62 - HA LYS 66 far 0 50 0 - 5.3-7.7 HG2 GLU 23 - HA GLU 16 far 0 40 0 - 6.9-9.2 HB3 GLN 72 - HA LYS 66 far 0 57 0 - 7.2-8.7 HG2 GLU 23 - HA GLU 17 far 0 84 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 730 from cnoeabs.peaks (2.43, 4.05, 58.64 ppm; 3.92 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 17 + HA GLU 17 OK 100 100 100 100 2.4-3.8 3.9=98, 1.8/729=77...(18) HB3 MET 21 - HA GLU 17 far 8 77 10 - 4.8-7.8 HG3 MET 21 - HA GLU 17 poor 7 79 35 24 3.9-7.9 5.1/6318=14, 968/8492=8...(4) HG3 GLU 17 - HA GLU 16 far 0 55 0 - 5.4-6.9 HB3 MET 21 - HA GLU 16 far 0 36 0 - 7.2-9.9 HG3 MET 21 - HA GLU 16 far 0 37 0 - 7.8-10.1 HG2 GLN 72 - HA LYS 66 far 0 58 0 - 8.7-10.9 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 55 55 100 99 3.9-4.3 6259/3.6=70, 6264/3.0=66...(11) 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 4 assignments used, quality = 0.97: * H LYS 20 + HA GLU 17 OK 87 100 100 87 3.7-4.2 6296/3.6=30, 6294=26...(14) H LYS 66 + HA LYS 66 OK 56 56 100 100 2.8-2.9 3.0=100 H LYS 20 + HA GLU 16 OK 46 55 95 87 3.5-4.8 6306=34, 6291/6278=30...(14) HE ARG 30 - HA GLU 16 far 0 55 0 - 9.4-14.1 Violated in 0 structures by 0.00 A. Peak 733 from cnoeabs.peaks (1.89, 4.05, 58.64 ppm; 3.23 A): 2 out of 21 assignments used, quality = 0.62: HB3 LYS 66 + HA LYS 66 OK 41 41 100 100 2.9-3.0 3.0=100 HB2 ARG 19 + HA GLU 16 OK 36 55 75 88 2.5-4.7 1.8/798=32, 788=29...(13) ! HB2 LYS 20 - HA GLU 17 far 5 100 5 - 2.7-5.5 HB2 LYS 20 - HA GLU 16 far 0 55 0 - 5.1-8.0 HB3 LYS 68 - HA LYS 66 far 0 51 0 - 5.1-7.0 HB2 LYS 12 - HA GLU 16 far 0 41 0 - 5.7-6.4 HB2 ARG 19 - HA GLU 17 far 0 100 0 - 5.9-7.5 HB3 LYS 13 - HA GLU 17 far 0 85 0 - 6.6-8.3 HB3 LYS 12 - HA GLU 16 far 0 43 0 - 7.1-7.9 HB3 LEU 14 - HA GLU 16 far 0 51 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 41 0 - 7.5-8.1 HB2 LYS 13 - HA GLU 17 far 0 82 0 - 7.5-9.0 HB2 LYS 13 - HA GLU 16 far 0 39 0 - 7.8-8.6 HB3 LEU 14 - HA GLU 17 far 0 98 0 - 8.0-8.5 HB2 LYS 12 - HA GLU 17 far 0 85 0 - 8.5-9.9 HB2 LYS 94 - HA GLU 17 far 0 71 0 - 8.9-11.9 HB3 LYS 39 - HA LYS 66 far 0 42 0 - 9.0-11.6 HG LEU 42 - HA LYS 66 far 0 58 0 - 9.7-11.7 HB3 LYS 12 - HA GLU 17 far 0 88 0 - 9.7-11.0 HB ILE 8 - HA LYS 66 far 0 58 0 - 9.7-10.8 HB VAL 5 - HA GLU 16 far 0 38 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 734 from cnoeabs.peaks (1.93, 4.05, 58.64 ppm; 3.07 A): 3 out of 19 assignments used, quality = 1.00: HB2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.4-2.6 2.9=100 * HB3 LYS 20 + HA GLU 17 OK 50 100 80 63 2.7-4.9 870=23, 871/732=17...(10) HB3 ARG 19 + HA GLU 16 OK 42 55 90 85 2.2-4.6 798=32, 1.8/788=24...(13) HB3 ARG 19 - HA GLU 17 far 0 100 0 - 4.9-7.3 HB3 LYS 20 - HA GLU 16 far 0 55 0 - 4.9-6.8 HB2 GLU 17 - HA GLU 16 far 0 54 0 - 6.5-6.6 HB3 LYS 13 - HA GLU 17 far 0 92 0 - 6.6-8.3 HB2 LYS 73 - HA LYS 66 far 0 46 0 - 7.3-8.7 HB3 LEU 14 - HA GLU 16 far 0 34 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 46 0 - 7.5-8.1 HB2 LYS 13 - HA GLU 17 far 0 94 0 - 7.5-9.0 HB2 LYS 13 - HA GLU 16 far 0 47 0 - 7.8-8.6 HB3 LYS 24 - HA GLU 17 far 0 81 0 - 7.9-11.1 HB3 LEU 14 - HA GLU 17 far 0 73 0 - 8.0-8.5 HB3 LYS 73 - HA LYS 66 far 0 47 0 - 8.7-10.0 HB2 LYS 24 - HA GLU 17 far 0 81 0 - 8.9-11.1 HB2 LYS 94 - HA GLU 17 far 0 98 0 - 8.9-11.9 HG LEU 42 - HA LYS 66 far 0 29 0 - 9.7-11.7 HB ILE 8 - HA LYS 66 far 0 28 0 - 9.7-10.8 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 4.0-5.2 593/1.8=74, 8477/3.0=63...(13) HA LYS 90 + HB2 GLU 17 OK 74 98 85 89 4.2-6.9 4.0/12027=56, 3.0/736=33...(10) HA GLU 88 - HB2 GLU 17 far 0 88 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 736 from cnoeabs.peaks (8.06, 1.94, 29.01 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 17 + HB2 GLU 17 OK 100 100 100 100 3.5-3.6 4.0=100 H LYS 90 + HB2 GLU 17 OK 68 95 90 80 3.6-6.4 7420/12027=39...(10) H ILE 15 - HB2 GLU 17 far 0 99 0 - 6.6-7.5 H LYS 13 - HB2 GLU 17 far 0 98 0 - 8.2-9.5 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 2.4-2.6 2.9=100 HA PRO 86 + HB2 GLU 17 OK 21 63 50 65 4.1-5.9 745/1.8=18, ~12333=14...(14) HA GLU 16 - HB2 GLU 17 far 0 99 0 - 6.5-6.6 HA LYS 20 - HB2 GLU 17 far 0 100 0 - 7.6-8.3 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 - 6.6-10.5 HB3 LYS 94 - HB2 GLU 17 far 0 96 0 - 8.8-11.6 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 2 assignments used, quality = 1.00: * HG2 GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 23 - HB2 GLU 17 far 0 84 0 - 9.4-12.0 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 3 assignments used, quality = 1.00: * HG3 GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 MET 21 - HB2 GLU 17 lone 2 79 35 9 4.1-7.5 8548/735=5, 730/2.9=4 HB3 MET 21 - HB2 GLU 17 far 0 77 0 - 4.9-8.0 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 1 assignment used, quality = 1.00: * H ALA 18 + HB2 GLU 17 OK 100 100 100 100 3.4-4.0 6269/1.8=94, 4.6=88...(14) Violated in 0 structures by 0.00 A. Peak 743 from cnoeabs.peaks (3.68, 2.01, 29.01 ppm; 4.84 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 14 + HB3 GLU 17 OK 100 100 100 100 2.5-3.8 593=76, 8477/748=63...(13) HA LYS 90 + HB3 GLU 17 OK 50 98 55 94 4.2-7.4 4.0/12029=46...(10) HA LEU 42 + HB2 GLU 44 OK 36 51 90 80 5.2-6.7 6719/6724=54...(5) HA LEU 42 - HB3 GLU 44 far 0 51 0 - 6.8-7.2 HA GLU 37 - HB2 GLU 35 far 0 47 0 - 7.5-8.4 HA GLU 88 - HB3 GLU 17 far 0 88 0 - 8.0-10.3 HA GLU 37 - HB2 GLU 44 far 0 46 0 - 8.2-10.1 HA GLU 37 - HB3 GLU 44 far 0 46 0 - 8.9-11.2 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 6 assignments used, quality = 1.00: * H GLU 17 + HB3 GLU 17 OK 100 100 100 100 2.3-2.8 6256=100, 6258/3.0=70...(13) H LYS 90 + HB3 GLU 17 OK 43 95 55 82 3.8-6.3 7420/12029=31...(13) H ILE 15 - HB3 GLU 17 far 10 99 10 - 4.8-5.9 H LYS 39 - HB2 GLU 35 far 3 54 5 - 4.6-6.8 H LYS 13 - HB3 GLU 17 far 0 98 0 - 6.6-8.4 H LYS 39 - HB2 GLU 44 far 0 53 0 - 8.9-10.6 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 12 assignments used, quality = 1.00: * HA GLU 17 + HB3 GLU 17 OK 100 100 100 100 3.0-3.0 2.9=100 HA PRO 86 + HB3 GLU 17 OK 29 63 90 52 3.4-5.4 9885/593=15, ~12333=12...(10) HB2 SER 49 - HB2 GLN 50 far 0 87 0 - 5.0-7.6 HA LYS 66 - HB2 GLU 35 far 0 48 0 - 5.1-9.6 HA GLU 16 - HB3 GLU 17 far 0 99 0 - 5.6-6.0 HA LEU 70 - HB2 GLU 35 far 0 39 0 - 6.1-10.0 HA ARG 46 - HB2 GLU 44 far 0 52 0 - 7.5-8.3 HA ARG 46 - HB3 GLU 44 far 0 52 0 - 7.6-8.7 HA LYS 20 - HB3 GLU 17 far 0 100 0 - 8.1-8.8 HA ARG 46 - HB2 GLN 50 far 0 74 0 - 8.5-10.0 HB2 SER 49 - HB2 GLU 44 far 0 62 0 - 9.6-12.6 HB2 SER 49 - HB3 GLU 44 far 0 62 0 - 9.9-12.6 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 31 assignments used, quality = 1.00: * HB2 GLU 17 + HB3 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 47 - HB3 GLU 44 far 0 55 0 - 4.4-6.9 HB3 LYS 13 - HB3 GLU 17 far 0 82 0 - 4.7-7.0 HB2 GLU 43 - HB2 GLU 44 far 0 35 0 - 4.9-6.3 HB2 GLU 43 - HB3 GLU 44 far 0 35 0 - 5.3-6.5 HB3 LEU 14 - HB3 GLU 17 far 0 59 0 - 5.3-6.2 HB3 LYS 47 - HB2 GLU 44 far 0 55 0 - 5.4-7.4 HB3 LYS 20 - HB3 GLU 17 far 0 100 0 - 5.4-7.7 HB2 LYS 13 - HB3 GLU 17 far 0 85 0 - 5.7-8.0 HB2 LYS 47 - HB3 GLU 44 far 0 45 0 - 5.8-8.0 QE MET 1 - HB2 GLN 50 far 0 53 0 - 6.2-8.0 HB3 ARG 46 - HB2 GLU 44 far 0 55 0 - 6.4-8.5 HB3 ARG 19 - HB3 GLU 17 far 0 98 0 - 6.5-8.7 HB3 ARG 46 - HB3 GLU 44 far 0 55 0 - 6.5-8.7 HB2 ARG 46 - HB2 GLU 44 far 0 38 0 - 6.6-8.4 HB2 ARG 46 - HB3 GLU 44 far 0 38 0 - 6.7-8.9 HB2 GLU 37 - HB2 GLU 35 far 0 35 0 - 6.9-7.5 HB2 LYS 47 - HB2 GLU 44 far 0 45 0 - 7.0-8.5 HB2 MET 1 - HB2 GLN 50 far 0 87 0 - 7.8-11.2 HB2 LYS 73 - HB2 GLU 35 far 0 57 0 - 7.8-12.6 HG3 GLU 88 - HB3 GLU 17 far 0 100 0 - 8.3-11.1 HB3 LYS 33 - HB2 GLU 35 far 0 47 0 - 8.4-9.8 HB VAL 32 - HB2 GLU 35 far 0 64 0 - 8.5-9.7 HB3 LYS 73 - HB2 GLU 35 far 0 58 0 - 8.5-13.4 HB2 LYS 33 - HB2 GLU 35 far 0 49 0 - 8.6-10.7 HB2 LYS 47 - HB2 GLN 50 far 0 66 0 - 8.8-10.6 HB2 LYS 94 - HB3 GLU 17 far 0 93 0 - 8.9-12.8 HB3 LYS 47 - HB2 GLN 50 far 0 79 0 - 9.6-11.5 HB3 MET 74 - HB2 GLU 44 far 0 52 0 - 9.8-11.3 HB2 GLU 37 - HB2 GLU 44 far 0 34 0 - 9.9-12.0 HB3 MET 74 - HB2 GLU 35 far 0 53 0 - 10.0-14.1 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 5 assignments used, quality = 0.99: * HG2 GLU 17 + HB3 GLU 17 OK 99 100 100 99 2.3-2.9 3.0=91, 6257/6256=34...(13) HG3 GLU 62 - HB2 GLU 35 far 0 55 0 - 6.5-12.5 HG2 GLU 62 - HB2 GLU 35 far 0 55 0 - 7.3-11.0 HG2 GLU 37 - HB2 GLU 35 far 0 59 0 - 7.8-8.8 HG2 GLU 23 - HB3 GLU 17 far 0 84 0 - 9.7-12.0 Violated in 0 structures by 0.00 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 2.3-3.0 2.9=100 HG3 MET 21 - HB3 GLU 17 far 0 79 0 - 5.2-8.0 HB3 MET 21 - HB3 GLU 17 far 0 77 0 - 5.4-9.1 HG3 GLU 48 - HB3 GLU 44 far 0 63 0 - 5.6-9.1 HB3 TYR 4 - HB2 GLU 44 far 0 43 0 - 6.3-10.0 HG3 GLU 48 - HB2 GLN 50 far 0 87 0 - 6.3-8.9 HG3 MET 1 - HB2 GLN 50 far 0 84 0 - 6.4-10.2 HG3 GLU 48 - HB2 GLU 44 far 0 63 0 - 6.5-10.3 HB3 TYR 4 - HB3 GLU 44 far 0 43 0 - 7.4-10.1 HB2 ASP 11 - HB3 GLU 17 far 0 100 0 - 8.6-10.0 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 2.6-3.0 6269=100, 6259/6256=84...(15) H ASP 11 - HB3 GLU 17 far 0 94 0 - 9.0-10.4 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 7 assignments used, quality = 1.00: * H GLU 17 + HG2 GLU 17 OK 100 100 100 100 1.9-3.6 6257=100, 6258/1.8=87...(10) H SER 102 - HG2 GLU 99 far 0 75 0 - 4.9-9.4 H LYS 90 - HG2 GLU 17 far 0 95 0 - 5.4-8.9 H ILE 15 - HG2 GLU 17 far 0 99 0 - 5.5-6.7 H LYS 13 - HG2 GLU 17 far 0 98 0 - 6.1-8.1 H SER 102 - HG2 GLU 98 far 0 60 0 - 7.9-13.6 H GLU 17 - HG2 GLU 23 far 0 54 0 - 9.0-11.3 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 2.2-3.8 729=95, 2.9/748=75...(14) HA LYS 20 + HG2 GLU 23 OK 41 54 95 79 2.0-4.9 10471/1.8=45...(6) HA GLU 95 - HG2 GLU 98 poor 16 39 40 - 2.8-5.5 HA PRO 86 - HG2 GLU 17 far 10 63 15 - 4.3-7.1 HA GLU 95 - HG2 GLU 99 poor 4 51 40 21 3.3-6.6 7598/4.7=13, 759/1.8=4...(5) HA GLU 16 - HG2 GLU 17 far 0 99 0 - 5.2-7.1 HA GLU 16 - HG2 GLU 23 far 0 53 0 - 6.9-9.2 HA GLU 17 - HG2 GLU 23 far 0 54 0 - 7.6-10.2 HA LYS 20 - HG2 GLU 17 far 0 100 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 753 from cnoeabs.peaks (1.94, 2.24, 36.00 ppm; 3.33 A): 1 out of 21 assignments used, quality = 1.00: * HB2 GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 13 - HG2 GLU 17 poor 16 82 20 - 3.5-5.7 HB3 ARG 19 - HG2 GLU 23 far 3 51 5 - 3.4-6.7 HB3 LYS 20 - HG2 GLU 23 far 0 53 0 - 4.7-7.3 HB2 LYS 13 - HG2 GLU 17 far 0 85 0 - 4.8-6.7 HB2 LYS 94 - HG2 GLU 98 far 0 51 0 - 5.1-8.7 HB3 LYS 20 - HG2 GLU 17 far 0 100 0 - 5.2-8.3 HB3 LEU 14 - HG2 GLU 17 far 0 59 0 - 5.8-7.3 QE MET 1 - HG2 GLU 99 far 0 44 0 - 6.2-10.4 HB2 LYS 24 - HG2 GLU 23 far 0 44 0 - 6.5-8.0 HB3 LYS 24 - HG2 GLU 23 far 0 44 0 - 6.6-8.1 HB3 ARG 19 - HG2 GLU 17 far 0 98 0 - 6.7-9.8 HG3 GLU 88 - HG2 GLU 17 far 0 100 0 - 8.6-12.8 HB2 LYS 24 - HG2 GLU 98 far 0 49 0 - 8.7-12.1 HB2 LYS 94 - HG2 GLU 99 far 0 65 0 - 8.8-11.1 HB2 MET 1 - HG2 GLU 99 far 0 76 0 - 8.9-15.1 HB3 LYS 24 - HG2 GLU 98 far 0 49 0 - 9.0-11.2 HB2 GLU 17 - HG2 GLU 23 far 0 54 0 - 9.4-12.0 HB2 LYS 94 - HG2 GLU 23 far 0 46 0 - 9.8-12.6 HB2 MET 1 - HG2 GLU 98 far 0 60 0 - 9.9-13.6 QE MET 1 - HG2 GLU 98 far 0 33 0 - 9.9-12.0 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 17 assignments used, quality = 1.00: * HB3 GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.3-2.9 748=100, 6256/6257=35...(12) 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 2.3-3.0 3.0=100 HB3 GLU 98 + HG2 GLU 98 OK 31 31 100 99 2.3-3.0 3.0=97, 3.0/4365=30...(11) HB2 GLU 98 + HG2 GLU 98 OK 30 30 100 99 2.3-3.0 3.0=97, 3.0/4365=30...(11) HB2 GLU 98 - HG2 GLU 99 poor 12 39 30 - 3.2-7.6 HB3 GLU 98 - HG2 GLU 99 poor 8 41 20 - 3.1-6.7 HB3 GLU 99 - HG2 GLU 98 far 0 38 0 - 5.9-8.6 HB2 GLU 99 - HG2 GLU 98 far 0 31 0 - 6.0-8.3 QE MET 1 - HG2 GLU 99 far 0 51 0 - 6.2-10.4 HB3 LYS 94 - HG2 GLU 98 far 0 53 0 - 6.3-8.2 HB3 LYS 94 - HG2 GLU 99 far 0 68 0 - 7.5-11.1 HG12 ILE 93 - HG2 GLU 23 far 0 34 0 - 8.1-10.9 HG12 ILE 93 - HG2 GLU 17 far 0 75 0 - 9.1-12.4 HB3 GLU 17 - HG2 GLU 23 far 0 54 0 - 9.7-12.0 HG12 ILE 93 - HG2 GLU 99 far 0 50 0 - 9.8-13.3 QE MET 1 - HG2 GLU 98 far 0 39 0 - 9.9-12.0 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 11 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 GLU 99 - HG2 GLU 98 far 0 58 0 - 5.6-8.6 HB3 MET 21 - HG2 GLU 23 far 0 35 0 - 6.3-8.1 HG3 MET 21 - HG2 GLU 17 far 0 79 0 - 6.4-9.8 HG3 MET 21 - HG2 GLU 23 far 0 36 0 - 6.8-10.0 HB3 MET 21 - HG2 GLU 17 far 0 77 0 - 7.3-10.5 HG3 MET 1 - HG2 GLU 99 far 0 72 0 - 8.7-15.0 HB2 ASP 11 - HG2 GLU 17 far 0 100 0 - 8.8-10.0 HB3 MET 21 - HG2 GLU 98 far 0 39 0 - 9.5-13.3 HG3 GLU 17 - HG2 GLU 23 far 0 54 0 - 10.0-13.1 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 4.2-5.1 6269/748=90...(10) H ALA 18 - HG2 GLU 23 far 0 54 0 - 8.1-9.8 H LEU 55 - HG2 GLU 99 far 0 65 0 - 9.1-13.7 H ASP 11 - HG2 GLU 17 far 0 94 0 - 9.7-10.9 Violated in 2 structures by 0.00 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 2.0-3.4 6258=100, 6257/1.8=75...(14) H SER 102 - HG3 GLU 99 far 0 98 0 - 4.6-8.8 H ILE 15 - HG3 GLU 17 far 0 99 0 - 5.1-7.2 H LYS 90 - HG3 GLU 17 far 0 95 0 - 5.5-8.2 H LYS 13 - HG3 GLU 17 far 0 98 0 - 6.2-7.9 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 2.4-3.8 3.9=84, 729/1.8=71...(18) HA PRO 86 + HG3 GLU 17 OK 26 63 55 75 3.7-7.8 2.3/12333=24...(13) HA GLU 95 - HG3 GLU 99 lone 6 73 50 17 3.2-6.4 7598/4428=14, 4276/1.8=3 HA GLU 16 - HG3 GLU 17 far 0 99 0 - 5.4-6.9 HA ARG 46 - HG3 GLU 48 far 0 71 0 - 5.9-8.4 HB2 SER 49 - HG3 GLU 48 far 0 83 0 - 6.6-9.1 HA LYS 20 - HG3 GLU 17 far 0 100 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 760 from cnoeabs.peaks (1.94, 2.43, 36.00 ppm; 3.36 A): 1 out of 17 assignments used, quality = 1.00: * HB2 GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 47 - HG3 GLU 48 poor 16 63 25 - 3.2-6.3 HB3 LYS 47 - HG3 GLU 48 poor 14 75 30 64 2.5-6.8 6783/6794=35, 13=15...(8) HB3 LYS 13 - HG3 GLU 17 poor 7 82 35 25 3.6-5.7 4.6/8418=9, 3.0/4429=8...(6) HB2 LYS 13 - HG3 GLU 17 far 0 85 0 - 4.6-6.7 HB3 LYS 20 - HG3 GLU 17 far 0 100 0 - 5.2-8.6 HB3 LEU 14 - HG3 GLU 17 far 0 59 0 - 5.4-8.2 QE MET 1 - HG3 GLU 99 far 0 63 0 - 6.7-10.4 HB3 ARG 19 - HG3 GLU 17 far 0 98 0 - 6.9-10.0 HB2 ARG 46 - HG3 GLU 48 far 0 53 0 - 7.3-9.9 HB3 ARG 46 - HG3 GLU 48 far 0 74 0 - 7.5-9.7 QE MET 1 - HG3 GLU 48 far 0 50 0 - 7.6-10.9 HG3 GLU 88 - HG3 GLU 17 far 0 100 0 - 8.4-13.0 HB2 MET 1 - HG3 GLU 48 far 0 84 0 - 8.5-12.6 HB2 LYS 94 - HG3 GLU 99 far 0 89 0 - 8.7-11.3 HB2 MET 1 - HG3 GLU 99 far 0 98 0 - 8.8-14.6 HB2 GLU 43 - HG3 GLU 48 far 0 50 0 - 9.7-12.9 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...(14) HB3 GLU 99 + HG3 GLU 99 OK 71 71 100 100 2.4-3.0 3.0=100 HB2 GLU 99 + HG3 GLU 99 OK 60 60 100 100 2.2-3.0 3.0=100 HB2 GLU 98 - HG3 GLU 99 poor 14 58 25 - 3.4-6.1 HB2 LYS 47 - HG3 GLU 48 far 4 45 10 - 3.2-6.3 HB3 GLU 98 - HG3 GLU 99 far 0 60 0 - 3.9-7.1 HB3 GLU 44 - HG3 GLU 48 far 0 83 0 - 5.6-9.1 HB2 GLN 50 - HG3 GLU 48 far 0 75 0 - 6.3-8.9 HB2 GLU 44 - HG3 GLU 48 far 0 83 0 - 6.5-10.3 QE MET 1 - HG3 GLU 99 far 0 73 0 - 6.7-10.4 HB2 ARG 46 - HG3 GLU 48 far 0 55 0 - 7.3-9.9 HB3 LYS 94 - HG3 GLU 99 far 0 92 0 - 7.4-11.5 QE MET 1 - HG3 GLU 48 far 0 58 0 - 7.6-10.9 HB3 MET 1 - HG3 GLU 48 far 0 84 0 - 8.5-12.6 HG12 ILE 93 - HG3 GLU 99 far 0 71 0 - 8.9-13.7 HG12 ILE 93 - HG3 GLU 17 far 0 75 0 - 9.1-12.0 HB3 MET 1 - HG3 GLU 99 far 0 98 0 - 9.9-15.2 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 5 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 - 3.9-7.3 HG2 GLU 98 - HG3 GLU 99 far 0 75 0 - 5.6-8.6 HG2 GLU 23 - HG3 GLU 17 far 0 84 0 - 10.0-13.1 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 4.0-5.0 6259/6258=90...(11) H LEU 55 - HG3 GLU 99 far 0 89 0 - 8.9-13.9 H ASP 11 - HG3 GLU 17 far 0 94 0 - 9.2-11.7 Violated in 1 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 - 7.1-8.2 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 3.5-3.6 3.6=100 H LEU 57 - HA ALA 18 far 0 79 0 - 8.6-9.7 H VAL 5 - HA ALA 18 far 0 94 0 - 9.4-10.7 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 3.4-3.8 6319=60, 8560/2.1=53...(15) H ALA 25 - HA ALA 18 far 0 84 0 - 8.3-9.4 H SER 85 - HA ALA 18 far 0 100 0 - 9.7-11.7 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 = 0.98: * HB2 MET 21 + HA ALA 18 OK 97 100 100 97 2.3-4.5 959=52, 6333/769=49...(12) HG12 ILE 93 + HA ALA 18 OK 33 98 35 98 2.6-6.1 2.1/8480=79, ~10020=47...(10) HB3 LYS 94 - HA ALA 18 far 0 81 0 - 7.0-9.4 HB2 GLU 16 - HA ALA 18 far 0 85 0 - 7.4-8.3 HB3 GLU 88 - HA ALA 18 far 0 82 0 - 8.8-10.4 HB2 GLU 23 - HA ALA 18 far 0 65 0 - 9.3-10.3 Violated in 4 structures by 0.03 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 2.3-5.2 1.8/959=80, 4.0/769=79...(15) HG3 MET 21 + HA ALA 18 OK 100 100 100 100 3.6-5.5 1.8/8545=77, 3.0/959=71...(16) HG3 GLU 17 + HA ALA 18 OK 42 77 55 100 6.2-6.7 3.9/8492=68, ~757=60...(11) 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 2.6-3.2 643=100, 6263/2.9=42...(21) 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 2.1-2.3 2.9=100 H LEU 55 - QB ALA 18 far 0 93 0 - 8.0-8.8 H ASP 11 - QB ALA 18 far 0 94 0 - 8.0-8.6 H ASN 10 - QB ALA 18 far 0 97 0 - 8.8-9.5 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...(21) 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 2.3-2.9 6283=100, 6281/2.9=59...(22) H LEU 57 - QB ALA 18 far 0 79 0 - 5.7-6.4 H VAL 5 - QB ALA 18 far 0 94 0 - 6.9-8.1 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 - 7.2-8.8 H LEU 57 - HA LYS 68 far 0 78 0 - 9.0-10.4 H ASP 77 - HA LYS 68 far 0 98 0 - 9.1-11.3 H LEU 57 - HA ARG 19 far 0 79 0 - 9.8-10.8 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 10 assignments used, quality = 1.00: * HB2 ARG 19 + HA ARG 19 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 68 + HA LYS 68 OK 90 90 100 100 2.4-3.0 3.0=100 HB3 ARG 19 + HA ARG 19 OK 63 63 100 100 2.2-3.0 3.0=100 HB VAL 5 - HA ARG 19 far 0 75 0 - 5.2-6.6 HB2 LYS 20 - HA ARG 19 far 0 100 0 - 5.7-6.6 HB3 LYS 66 - HA LYS 68 far 0 74 0 - 7.4-8.0 HG LEU 42 - HA LYS 68 far 0 100 0 - 7.4-9.5 HB VAL 54 - HA LYS 68 far 0 99 0 - 7.9-9.3 HB2 LYS 94 - HA ARG 19 far 0 77 0 - 9.6-12.1 HB3 LEU 14 - HA ARG 19 far 0 99 0 - 9.9-11.3 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 2.2-3.0 3.0=100 HB2 ARG 19 + HA ARG 19 OK 63 63 100 100 2.3-2.7 3.0=100 HB3 LYS 20 - HA ARG 19 far 0 100 0 - 5.5-6.6 HG LEU 42 - HA LYS 68 far 0 70 0 - 7.4-9.5 HB2 LYS 73 - HA LYS 68 far 0 80 0 - 7.5-8.8 HB2 GLU 17 - HA ARG 19 far 0 98 0 - 7.8-8.4 HB3 LYS 24 - HA ARG 19 far 0 71 0 - 7.8-10.9 HB2 LYS 24 - HA ARG 19 far 0 71 0 - 8.1-10.7 HB3 MET 74 - HA LYS 68 far 0 70 0 - 8.1-11.2 HB3 LYS 73 - HA LYS 68 far 0 81 0 - 9.2-10.3 HB2 LYS 94 - HA ARG 19 far 0 100 0 - 9.6-12.1 HB3 LEU 14 - HA ARG 19 far 0 82 0 - 9.9-11.3 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 10 assignments used, quality = 1.00: * HG2 ARG 19 + HA ARG 19 OK 100 100 100 100 2.3-3.8 809=71, 1.8/782=67...(28) HB3 LEU 29 + HA ARG 19 OK 96 99 100 98 2.3-3.6 3.1/8685=49, 3.1/8507=28...(23) HG3 LYS 73 - HA LYS 68 far 0 97 0 - 7.3-9.5 HB2 ARG 79 - HA LYS 68 far 0 96 0 - 7.3-9.4 HG3 LYS 90 - HA ARG 19 far 0 100 0 - 8.2-10.4 HB3 GLU 28 - HA ARG 19 far 0 90 0 - 8.4-10.2 HG LEU 27 - HA ARG 19 far 0 98 0 - 8.4-9.7 HB2 ARG 30 - HA ARG 19 far 0 94 0 - 8.4-9.6 HG2 LYS 24 - HA ARG 19 far 0 100 0 - 9.1-10.2 HD2 LYS 66 - HA LYS 68 far 0 95 0 - 9.1-10.5 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 2.6-3.8 818=83, 1.8/809=67...(25) HB VAL 78 - HA LYS 68 far 0 91 0 - 4.6-7.9 HB ILE 56 - HA LYS 68 far 0 100 0 - 5.1-6.4 HD2 LYS 90 - HA ARG 19 far 0 91 0 - 7.2-10.9 HB ILE 15 - HA ARG 19 far 0 75 0 - 7.3-8.6 HB2 LYS 66 - HA LYS 68 far 0 99 0 - 7.5-8.0 HD2 ARG 81 - HA LYS 68 far 0 67 0 - 7.6-11.0 HB2 GLU 28 - HA ARG 19 far 0 94 0 - 8.1-9.7 HB3 GLU 63 - HA LYS 68 far 0 93 0 - 9.1-10.4 HB3 LYS 82 - HA LYS 68 far 0 100 0 - 10.0-12.0 Violated in 6 structures by 0.02 A. Peak 783 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 19 + HA ARG 19 OK 100 100 100 100 2.6-5.5 3.0/782=81, 3.0/809=77...(23) * HD2 ARG 19 + HA ARG 19 OK 100 100 100 100 3.8-5.5 3.0/782=81, 3.0/809=77...(24) HB2 ASP 77 - HA LYS 68 far 0 72 0 - 9.7-12.0 HB3 TRP 92 - HA ARG 19 far 0 93 0 - 9.9-12.7 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 4 assignments used, quality = 1.00: * HD3 ARG 19 + HA ARG 19 OK 100 100 100 100 2.6-5.5 3.0/782=81, 3.0/809=77...(23) HD2 ARG 19 + HA ARG 19 OK 100 100 100 100 3.8-5.5 3.0/782=81, 3.0/809=77...(24) HB2 ASP 77 - HA LYS 68 far 0 72 0 - 9.7-12.0 HB3 TRP 92 - HA ARG 19 far 0 93 0 - 9.9-12.7 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 - 6.0-7.7 H LYS 66 - HA LYS 68 far 0 98 0 - 6.7-7.1 HE ARG 30 - HA ARG 19 far 0 100 0 - 7.2-11.0 H GLU 28 - HA ARG 19 far 0 100 0 - 7.8-9.3 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 1 assignment used, quality = 1.00: * H ALA 22 + HA ARG 19 OK 100 100 100 100 3.5-4.0 6353/787=59, 6343/3.6=52...(15) Violated in 0 structures by 0.00 A. Peak 787 from cnoeabs.peaks (1.44, 3.81, 59.98 ppm; 3.09 A): 2 out of 10 assignments used, quality = 0.97: * QB ALA 22 + HA ARG 19 OK 94 100 100 94 2.6-3.4 1007=50, 6353/786=32...(18) QB ALA 71 + HA LYS 68 OK 43 84 100 51 2.6-3.6 2.9/12163=23...(8) HG LEU 29 - HA ARG 19 far 15 100 15 - 3.9-5.0 HG2 LYS 20 - HA ARG 19 far 0 90 0 - 5.1-7.0 HB2 LEU 27 - HA ARG 19 far 0 90 0 - 6.2-7.6 HG LEU 38 - HA LYS 68 far 0 86 0 - 6.5-11.0 HB2 LEU 38 - HA LYS 68 far 0 91 0 - 7.6-10.2 HG12 ILE 7 - HA ARG 19 far 0 99 0 - 7.9-9.4 HG3 LYS 39 - HA LYS 68 far 0 99 0 - 8.9-13.1 HG13 ILE 76 - HA LYS 68 far 0 100 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 788 from cnoeabs.peaks (4.04, 1.89, 29.57 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 16 + HB2 ARG 19 OK 98 100 100 98 2.5-4.7 733=47, 8503/3.0=38...(17) HA LYS 20 + HB2 ARG 19 OK 76 100 80 95 4.1-5.6 2.9/797=59, 11086/3.0=40...(12) HA GLU 17 - HB2 ARG 19 far 0 99 0 - 5.9-7.5 HA ARG 46 - HB2 GLU 43 far 0 42 0 - 6.8-7.6 HB2 SER 49 - HB2 GLU 43 far 0 57 0 - 9.8-12.0 Violated in 4 structures by 0.02 A. Peak 789 from cnoeabs.peaks (8.90, 1.89, 29.57 ppm; 3.69 A): 1 out of 2 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...(18) H VAL 5 - HB2 ARG 19 far 0 94 0 - 8.0-10.7 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 2.3-2.7 3.0=100 HB3 SER 102 - HB3 GLU 104 far 3 58 5 - 4.6-9.5 HA ALA 18 - HB2 ARG 19 far 0 70 0 - 5.6-6.6 HA ALA 22 - HB2 ARG 19 far 0 95 0 - 7.2-8.7 HA ALA 71 - HB2 GLU 43 far 0 33 0 - 9.1-11.5 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): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 29 + HB2 ARG 19 OK 39 99 40 98 2.7-5.4 3.1/8674=37, 781/3.0=30...(24) HG3 LYS 47 - HB2 GLU 43 far 0 32 0 - 5.3-8.6 HB2 LEU 103 - HB3 GLU 104 far 0 58 0 - 6.1-7.7 HG LEU 103 - HB3 GLU 104 far 0 58 0 - 6.2-8.9 HB2 ARG 79 - HB3 GLU 104 far 0 53 0 - 7.7-16.6 HD3 LYS 53 - HB3 GLU 104 far 0 35 0 - 8.0-16.9 HB2 ARG 30 - HB2 ARG 19 far 0 94 0 - 8.3-10.7 HG3 LYS 90 - HB2 ARG 19 far 0 100 0 - 8.7-11.6 HB3 GLU 28 - HB2 ARG 19 far 0 90 0 - 8.7-11.9 HG2 LYS 24 - HB2 ARG 19 far 0 100 0 - 9.4-11.1 HG3 LYS 12 - HB2 ARG 19 far 0 99 0 - 9.7-12.5 HG LEU 27 - HB2 ARG 19 far 0 98 0 - 9.8-12.1 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 7 assignments used, quality = 1.00: * HG3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 46 - HB2 GLU 43 far 2 44 5 - 3.7-7.2 HD2 ARG 81 - HB3 GLU 104 far 0 32 0 - 4.9-20.6 HB ILE 15 - HB2 ARG 19 far 0 75 0 - 5.1-8.0 HB2 LYS 39 - HB2 GLU 43 far 0 31 0 - 7.8-9.5 HB2 GLU 28 - HB2 ARG 19 far 0 94 0 - 8.4-11.2 HD2 LYS 90 - HB2 ARG 19 far 0 91 0 - 9.0-12.5 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 4 assignments used, quality = 1.00: * HD2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.3-3.9 3.6=100 HD3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.3-3.9 3.6=100 HD3 ARG 46 + HB2 GLU 43 OK 22 54 45 91 3.9-6.6 10171/3.0=47...(13) HB2 HIS 106 - HB3 GLU 104 far 6 57 10 - 4.7-9.7 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 4 assignments used, quality = 1.00: HD2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.3-3.9 3.6=100 * HD3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.3-3.9 3.6=100 HD3 ARG 46 + HB2 GLU 43 OK 22 54 45 91 3.9-6.6 10171/3.0=47...(13) HB2 HIS 106 - HB3 GLU 104 far 6 57 10 - 4.7-9.7 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 5 assignments used, quality = 1.00: * H LYS 20 + HB2 ARG 19 OK 100 100 100 100 3.1-4.2 4.1=98, 6291/789=63...(19) H TYR 41 - HB2 GLU 43 far 0 39 0 - 6.8-7.3 HE ARG 30 - HB2 ARG 19 far 0 100 0 - 7.2-11.5 H GLU 28 - HB2 ARG 19 far 0 100 0 - 8.4-10.9 H VAL 78 - HB3 GLU 104 far 0 29 0 - 9.7-19.0 Violated in 1 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 = 0.99: * HA GLU 16 + HB3 ARG 19 OK 97 100 100 97 2.2-4.6 733/1.8=40, 847=39...(18) HA LYS 20 + HB3 ARG 19 OK 69 100 75 92 4.2-5.6 11086/3.0=34, ~797=33...(14) HA GLU 17 - HB3 ARG 19 far 0 99 0 - 4.9-7.3 HA ARG 46 - HB2 GLU 43 far 0 31 0 - 6.8-7.6 HB2 SER 49 - HB2 GLU 43 far 0 43 0 - 9.8-12.0 Violated in 5 structures by 0.04 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 2.2-3.6 3.9=89, 6288/3.0=59...(21) H VAL 5 - HB3 ARG 19 far 0 94 0 - 8.5-11.7 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 2.2-3.0 3.0=100 HA ALA 18 - HB3 ARG 19 far 0 70 0 - 5.6-6.6 HA ALA 22 - HB3 ARG 19 far 0 95 0 - 7.3-8.5 HA ALA 71 - HB2 GLU 43 far 0 25 0 - 9.1-11.5 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 8 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 98 3.4-6.4 781/3.0=30, 3.1/8517=25...(23) HG3 LYS 47 - HB2 GLU 43 far 0 24 0 - 5.3-8.6 HB2 ARG 30 - HB3 ARG 19 far 0 94 0 - 7.8-11.7 HG3 LYS 90 - HB3 ARG 19 far 0 100 0 - 8.7-11.5 HG3 LYS 12 - HB3 ARG 19 far 0 99 0 - 8.7-11.7 HB3 GLU 28 - HB3 ARG 19 far 0 90 0 - 9.0-13.1 HG2 LYS 24 - HB3 ARG 19 far 0 100 0 - 9.3-11.3 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 2.2-3.0 3.0=100 HG3 ARG 46 - HB2 GLU 43 far 2 33 5 - 3.7-7.2 HB ILE 15 - HB3 ARG 19 far 0 75 0 - 5.3-7.8 HB2 LYS 39 - HB2 GLU 43 far 0 23 0 - 7.8-9.5 HD2 LYS 90 - HB3 ARG 19 far 0 91 0 - 8.0-12.1 HB2 GLU 28 - HB3 ARG 19 far 0 94 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 805 from cnoeabs.peaks (3.18, 1.93, 29.57 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.1-3.8 3.6=100 * HD2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.2-4.2 3.6=100 HD3 ARG 46 - HB2 GLU 43 poor 18 41 45 - 3.9-6.6 Violated in 0 structures by 0.00 A. Peak 806 from cnoeabs.peaks (3.18, 1.93, 29.57 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.1-3.8 3.6=100 HD2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.2-4.2 3.6=100 HD3 ARG 46 - HB2 GLU 43 poor 18 41 45 - 3.9-6.6 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 2.2-4.2 4.1=100 HE ARG 30 - HB3 ARG 19 far 0 100 0 - 6.1-12.9 H TYR 41 - HB2 GLU 43 far 0 29 0 - 6.8-7.3 H GLU 28 - HB3 ARG 19 far 0 100 0 - 9.0-12.1 H SER 9 - HB3 ARG 19 far 0 93 0 - 10.0-12.9 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 2.6-4.2 6287=100, 6288/1.8=92...(23) H VAL 5 - HG2 ARG 19 far 0 94 0 - 8.2-11.5 H LEU 57 - HG2 ARG 19 far 0 79 0 - 9.6-13.3 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 2.3-3.8 4.0=91, 782/1.8=81...(28) HA ALA 18 - HG2 ARG 19 far 0 70 0 - 5.5-7.0 HA ALA 22 - HG2 ARG 19 far 0 95 0 - 7.7-9.4 HA LYS 68 - HD2 LYS 66 far 0 86 0 - 9.1-10.5 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 13 assignments used, quality = 1.00: * HB2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.3-3.0 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 2.7-4.2 3.6=84, ~2943=44...(45) HB2 LYS 20 - HG2 ARG 19 far 5 100 5 - 4.0-8.3 HB VAL 5 - HG2 ARG 19 far 0 75 0 - 6.2-9.4 HB2 LYS 12 - HG2 ARG 19 far 0 81 0 - 6.9-10.1 HB3 LYS 68 - HD2 LYS 66 far 0 74 0 - 8.0-11.1 HB3 LEU 14 - HG2 ARG 19 far 0 99 0 - 8.4-11.3 HB3 LYS 12 - HG2 ARG 19 far 0 84 0 - 8.6-11.7 HB ILE 8 - HD2 LYS 66 far 0 87 0 - 9.2-12.0 HB3 LYS 39 - HD2 LYS 66 far 0 60 0 - 9.5-13.4 HB3 LYS 13 - HG2 ARG 19 far 0 90 0 - 9.8-12.0 HB2 LYS 13 - HG2 ARG 19 far 0 87 0 - 10.0-12.4 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 12 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 2.3-3.0 3.0=100 HB3 LYS 20 - HG2 ARG 19 far 10 100 10 - 4.0-7.7 HB2 GLU 17 - HG2 ARG 19 far 0 98 0 - 7.2-9.4 HB2 LYS 24 - HG2 ARG 19 far 0 71 0 - 7.8-12.9 HB2 LYS 73 - HD2 LYS 66 far 0 64 0 - 8.3-12.5 HB3 LEU 14 - HG2 ARG 19 far 0 82 0 - 8.4-11.3 HB3 LYS 73 - HD2 LYS 66 far 0 65 0 - 9.2-13.8 HB ILE 8 - HD2 LYS 66 far 0 54 0 - 9.2-12.0 HB3 LYS 24 - HG2 ARG 19 far 0 71 0 - 9.3-13.0 HB3 LYS 13 - HG2 ARG 19 far 0 96 0 - 9.8-12.0 HB2 LYS 13 - HG2 ARG 19 far 0 98 0 - 10.0-12.4 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 59 86 70 99 2.6-3.8 3.6=45, 2943/1.8=43...(52) HB ILE 15 - HG2 ARG 19 far 0 75 0 - 4.8-8.5 HB3 GLU 63 - HD2 LYS 66 far 0 77 0 - 6.9-9.4 HB2 LYS 39 - HD2 LYS 66 far 0 47 0 - 7.9-12.5 HB2 GLU 28 - HG2 ARG 19 far 0 94 0 - 8.9-12.1 HD2 LYS 90 - HG2 ARG 19 far 0 91 0 - 9.1-12.7 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: * HD2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.4-3.0 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: HD2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.4-3.0 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 1.9-4.9 6302=100, 6303/1.8=90...(17) H LYS 66 + HD2 LYS 66 OK 84 84 100 100 3.5-4.9 7074/1.8=95, 7073=92...(31) HE ARG 30 - HG2 ARG 19 far 0 100 0 - 6.4-13.3 H SER 9 - HG2 ARG 19 far 0 93 0 - 9.3-13.3 H GLU 28 - HG2 ARG 19 far 0 100 0 - 9.3-12.5 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 1.9-3.1 6288=100, 6287/1.8=82...(22) H VAL 5 - HG3 ARG 19 far 0 94 0 - 9.2-11.3 H LEU 57 - HG3 ARG 19 far 0 79 0 - 9.8-13.1 Violated in 0 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 2.6-3.8 782=100, 809/1.8=75...(25) HA ALA 18 - HG3 ARG 19 far 0 70 0 - 5.3-6.3 HA ALA 22 - HG3 ARG 19 far 0 95 0 - 8.2-9.5 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 9 assignments used, quality = 1.00: * HB2 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 19 + HG3 ARG 19 OK 63 63 100 100 2.2-3.0 3.0=100 HB2 LYS 20 - HG3 ARG 19 far 0 100 0 - 4.6-8.0 HB2 LYS 12 - HG3 ARG 19 far 0 81 0 - 6.7-8.8 HB VAL 5 - HG3 ARG 19 far 0 75 0 - 7.2-9.6 HB3 LEU 14 - HG3 ARG 19 far 0 99 0 - 8.0-9.9 HB3 LYS 12 - HG3 ARG 19 far 0 84 0 - 8.3-10.5 HB3 LYS 13 - HG3 ARG 19 far 0 90 0 - 9.1-10.3 HB2 LYS 13 - HG3 ARG 19 far 0 87 0 - 9.5-10.7 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 9 assignments used, quality = 1.00: * HB3 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 19 + HG3 ARG 19 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 LYS 20 - HG3 ARG 19 far 15 100 15 - 3.9-7.1 HB2 GLU 17 - HG3 ARG 19 far 0 98 0 - 6.7-8.1 HB3 LEU 14 - HG3 ARG 19 far 0 82 0 - 8.0-9.9 HB2 LYS 24 - HG3 ARG 19 far 0 71 0 - 8.2-13.3 HB3 LYS 13 - HG3 ARG 19 far 0 96 0 - 9.1-10.3 HB2 LYS 13 - HG3 ARG 19 far 0 98 0 - 9.5-10.7 HB3 LYS 24 - HG3 ARG 19 far 0 71 0 - 9.7-13.4 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 6 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 far 0 99 0 - 4.2-6.4 HG3 LYS 12 - HG3 ARG 19 far 0 99 0 - 7.4-11.1 HG3 LYS 90 - HG3 ARG 19 far 0 100 0 - 8.1-11.2 HB2 ARG 30 - HG3 ARG 19 far 0 94 0 - 8.1-11.3 HG2 LYS 24 - HG3 ARG 19 far 0 100 0 - 9.0-12.5 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 3 assignments used, quality = 1.00: * H LYS 20 + HG3 ARG 19 OK 100 100 100 100 2.2-4.4 4.9=100 HE ARG 30 - HG3 ARG 19 far 0 100 0 - 7.7-12.7 H SER 9 - HG3 ARG 19 far 0 93 0 - 9.1-12.6 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 + HD3 ARG 19 OK 100 100 100 100 3.7-5.0 6288/3.0=79, 6287/3.0=70...(22) * H ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.7-5.1 6288/3.0=79, 6287/3.0=70...(23) H VAL 5 - HD3 ARG 19 far 0 94 0 - 8.7-12.6 H VAL 5 - HD2 ARG 19 far 0 94 0 - 9.2-12.6 Violated in 0 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 = 0.99: * HA ARG 19 + HD2 ARG 19 OK 95 100 95 100 3.8-5.5 782/3.0=76, 809/3.0=72...(24) HA ARG 19 + HD3 ARG 19 OK 80 100 80 100 2.6-5.5 782/3.0=76, 809/3.0=72...(23) HA ALA 18 - HD2 ARG 19 far 0 70 0 - 7.1-8.4 HA ALA 18 - HD3 ARG 19 far 0 70 0 - 7.1-8.2 HA ALA 22 - HD3 ARG 19 far 0 95 0 - 7.8-10.8 HA ALA 22 - HD2 ARG 19 far 0 95 0 - 9.1-10.9 Violated in 3 structures by 0.00 A. Peak 828 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.28 A): 4 out of 18 assignments used, quality = 1.00: HB2 ARG 19 + HD3 ARG 19 OK 97 100 100 97 2.3-3.9 3.6=77, ~782=16, ~818=16...(16) * HB2 ARG 19 + HD2 ARG 19 OK 96 100 100 96 2.3-3.9 3.6=77, 3.0/827=18...(16) HB3 ARG 19 + HD3 ARG 19 OK 61 63 100 96 2.1-3.8 3.6=77, ~782=16, ~818=16...(16) HB3 ARG 19 + HD2 ARG 19 OK 58 63 95 96 2.2-4.2 3.6=77, 3.0/827=18...(16) HB2 LYS 12 - HD2 ARG 19 far 0 81 0 - 5.6-8.6 HB2 LYS 20 - HD2 ARG 19 far 0 100 0 - 5.9-9.5 HB2 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.2-8.6 HB2 LYS 12 - HD3 ARG 19 far 0 81 0 - 6.4-9.8 HB3 LYS 12 - HD2 ARG 19 far 0 84 0 - 7.3-10.1 HB VAL 5 - HD3 ARG 19 far 0 75 0 - 7.6-10.8 HB3 LYS 12 - HD3 ARG 19 far 0 84 0 - 7.8-11.3 HB3 LEU 14 - HD2 ARG 19 far 0 99 0 - 8.0-10.8 HB VAL 5 - HD2 ARG 19 far 0 75 0 - 8.1-10.7 HB3 LEU 14 - HD3 ARG 19 far 0 99 0 - 8.5-11.8 HB3 LYS 13 - HD2 ARG 19 far 0 90 0 - 8.9-11.9 HB2 LYS 13 - HD2 ARG 19 far 0 87 0 - 9.1-11.9 HB3 LYS 13 - HD3 ARG 19 far 0 90 0 - 9.3-12.6 HB2 LYS 13 - HD3 ARG 19 far 0 87 0 - 9.6-12.8 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 16 assignments used, quality = 1.00: HB3 ARG 19 + HD3 ARG 19 OK 98 100 100 98 2.1-3.8 3.6=81, ~782=17, ~818=17...(17) * HB3 ARG 19 + HD2 ARG 19 OK 97 100 100 97 2.2-4.2 3.6=81, 3.0/836=19...(16) HB2 ARG 19 + HD3 ARG 19 OK 62 63 100 97 2.3-3.9 3.6=81, ~782=17, ~818=17...(16) HB2 ARG 19 + HD2 ARG 19 OK 61 63 100 97 2.3-3.9 3.6=81, 3.0/836=19...(16) HB3 LYS 20 - HD3 ARG 19 far 0 100 0 - 5.8-8.0 HB3 LYS 20 - HD2 ARG 19 far 0 100 0 - 6.4-8.9 HB3 LEU 14 - HD2 ARG 19 far 0 82 0 - 8.0-10.8 HB2 GLU 17 - HD2 ARG 19 far 0 98 0 - 8.2-10.5 HB2 GLU 17 - HD3 ARG 19 far 0 98 0 - 8.3-10.3 HB3 LEU 14 - HD3 ARG 19 far 0 82 0 - 8.5-11.8 HB3 LYS 13 - HD2 ARG 19 far 0 96 0 - 8.9-11.9 HB2 LYS 13 - HD2 ARG 19 far 0 98 0 - 9.1-11.9 HB3 LYS 13 - HD3 ARG 19 far 0 96 0 - 9.3-12.6 HB2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.6-12.8 HB2 LYS 24 - HD3 ARG 19 far 0 71 0 - 9.9-13.9 HB VAL 32 - HD2 ARG 19 far 0 99 0 - 10.0-13.6 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 8 assignments used, quality = 1.00: * HG2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 - HD3 ARG 19 far 5 99 5 - 3.8-7.6 HB3 LEU 29 - HD2 ARG 19 far 0 99 0 - 5.0-7.6 HG3 LYS 12 - HD2 ARG 19 far 0 99 0 - 6.5-9.6 HB2 ARG 30 - HD2 ARG 19 far 0 94 0 - 7.0-11.1 HB2 ARG 30 - HD3 ARG 19 far 0 94 0 - 7.4-11.3 HG3 LYS 12 - HD3 ARG 19 far 0 99 0 - 7.9-11.1 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 4 75 5 - 3.7-6.6 HB ILE 15 - HD3 ARG 19 far 0 75 0 - 4.6-7.1 HB2 GLU 28 - HD3 ARG 19 far 0 94 0 - 9.2-13.1 HD2 LYS 90 - HD2 ARG 19 far 0 91 0 - 9.4-14.0 HD2 LYS 90 - HD3 ARG 19 far 0 91 0 - 9.6-13.7 HD3 LYS 33 - HD2 ARG 19 far 0 65 0 - 10.0-15.0 HD2 LYS 33 - HD2 ARG 19 far 0 65 0 - 10.0-14.2 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 7 assignments used, quality = 1.00: H LYS 20 + HD3 ARG 19 OK 100 100 100 100 4.3-5.5 6303/3.0=80, 797/3.6=76...(15) * H LYS 20 + HD2 ARG 19 OK 70 100 70 100 4.1-6.2 6303/3.0=80, 797/3.6=76...(15) HE ARG 30 - HD3 ARG 19 far 5 100 5 - 5.2-12.9 HE ARG 30 - HD2 ARG 19 far 5 100 5 - 6.0-13.1 H SER 9 - HD2 ARG 19 far 0 93 0 - 9.0-12.1 H GLU 28 - HD3 ARG 19 far 0 100 0 - 9.8-13.5 H SER 9 - HD3 ARG 19 far 0 93 0 - 9.9-12.7 Violated in 1 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 + HD3 ARG 19 OK 100 100 100 100 3.7-5.0 6288/3.0=79, 6287/3.0=70...(22) H ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.7-5.1 6288/3.0=79, 6287/3.0=70...(23) H VAL 5 - HD3 ARG 19 far 0 94 0 - 8.7-12.6 H VAL 5 - HD2 ARG 19 far 0 94 0 - 9.2-12.6 Violated in 0 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 = 0.99: HA ARG 19 + HD2 ARG 19 OK 95 100 95 100 3.8-5.5 782/3.0=76, 809/3.0=72...(24) * HA ARG 19 + HD3 ARG 19 OK 80 100 80 100 2.6-5.5 782/3.0=76, 809/3.0=72...(23) HA ALA 18 - HD2 ARG 19 far 0 70 0 - 7.1-8.4 HA ALA 18 - HD3 ARG 19 far 0 70 0 - 7.1-8.2 HA ALA 22 - HD3 ARG 19 far 0 95 0 - 7.8-10.8 HA ALA 22 - HD2 ARG 19 far 0 95 0 - 9.1-10.9 Violated in 3 structures by 0.00 A. Peak 837 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.28 A): 4 out of 18 assignments used, quality = 1.00: * HB2 ARG 19 + HD3 ARG 19 OK 97 100 100 97 2.3-3.9 3.6=77, ~782=16, ~818=16...(16) HB2 ARG 19 + HD2 ARG 19 OK 96 100 100 96 2.3-3.9 3.6=77, 3.0/827=18...(16) HB3 ARG 19 + HD3 ARG 19 OK 61 63 100 96 2.1-3.8 3.6=77, ~782=16, ~818=16...(16) HB3 ARG 19 + HD2 ARG 19 OK 58 63 95 96 2.2-4.2 3.6=77, 3.0/827=18...(16) HB2 LYS 12 - HD2 ARG 19 far 0 81 0 - 5.6-8.6 HB2 LYS 20 - HD2 ARG 19 far 0 100 0 - 5.9-9.5 HB2 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.2-8.6 HB2 LYS 12 - HD3 ARG 19 far 0 81 0 - 6.4-9.8 HB3 LYS 12 - HD2 ARG 19 far 0 84 0 - 7.3-10.1 HB VAL 5 - HD3 ARG 19 far 0 75 0 - 7.6-10.8 HB3 LYS 12 - HD3 ARG 19 far 0 84 0 - 7.8-11.3 HB3 LEU 14 - HD2 ARG 19 far 0 99 0 - 8.0-10.8 HB VAL 5 - HD2 ARG 19 far 0 75 0 - 8.1-10.7 HB3 LEU 14 - HD3 ARG 19 far 0 99 0 - 8.5-11.8 HB3 LYS 13 - HD2 ARG 19 far 0 90 0 - 8.9-11.9 HB2 LYS 13 - HD2 ARG 19 far 0 87 0 - 9.1-11.9 HB3 LYS 13 - HD3 ARG 19 far 0 90 0 - 9.3-12.6 HB2 LYS 13 - HD3 ARG 19 far 0 87 0 - 9.6-12.8 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 16 assignments used, quality = 1.00: * HB3 ARG 19 + HD3 ARG 19 OK 98 100 100 98 2.1-3.8 3.6=81, ~782=17, ~818=17...(17) HB3 ARG 19 + HD2 ARG 19 OK 97 100 100 97 2.2-4.2 3.6=81, 3.0/836=19...(16) HB2 ARG 19 + HD3 ARG 19 OK 62 63 100 97 2.3-3.9 3.6=81, ~782=17, ~818=17...(16) HB2 ARG 19 + HD2 ARG 19 OK 61 63 100 97 2.3-3.9 3.6=81, 3.0/836=19...(16) HB3 LYS 20 - HD3 ARG 19 far 0 100 0 - 5.8-8.0 HB3 LYS 20 - HD2 ARG 19 far 0 100 0 - 6.4-8.9 HB3 LEU 14 - HD2 ARG 19 far 0 82 0 - 8.0-10.8 HB2 GLU 17 - HD2 ARG 19 far 0 98 0 - 8.2-10.5 HB2 GLU 17 - HD3 ARG 19 far 0 98 0 - 8.3-10.3 HB3 LEU 14 - HD3 ARG 19 far 0 82 0 - 8.5-11.8 HB3 LYS 13 - HD2 ARG 19 far 0 96 0 - 8.9-11.9 HB2 LYS 13 - HD2 ARG 19 far 0 98 0 - 9.1-11.9 HB3 LYS 13 - HD3 ARG 19 far 0 96 0 - 9.3-12.6 HB2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.6-12.8 HB2 LYS 24 - HD3 ARG 19 far 0 71 0 - 9.9-13.9 HB VAL 32 - HD2 ARG 19 far 0 99 0 - 10.0-13.6 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 8 assignments used, quality = 1.00: HG2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 - HD3 ARG 19 far 5 99 5 - 3.8-7.6 HB3 LEU 29 - HD2 ARG 19 far 0 99 0 - 5.0-7.6 HG3 LYS 12 - HD2 ARG 19 far 0 99 0 - 6.5-9.6 HB2 ARG 30 - HD2 ARG 19 far 0 94 0 - 7.0-11.1 HB2 ARG 30 - HD3 ARG 19 far 0 94 0 - 7.4-11.3 HG3 LYS 12 - HD3 ARG 19 far 0 99 0 - 7.9-11.1 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 4 75 5 - 3.7-6.6 HB ILE 15 - HD3 ARG 19 far 0 75 0 - 4.6-7.1 HB2 GLU 28 - HD3 ARG 19 far 0 94 0 - 9.2-13.1 HD2 LYS 90 - HD2 ARG 19 far 0 91 0 - 9.4-14.0 HD2 LYS 90 - HD3 ARG 19 far 0 91 0 - 9.6-13.7 HD3 LYS 33 - HD2 ARG 19 far 0 65 0 - 10.0-15.0 HD2 LYS 33 - HD2 ARG 19 far 0 65 0 - 10.0-14.2 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 7 assignments used, quality = 1.00: * H LYS 20 + HD3 ARG 19 OK 100 100 100 100 4.3-5.5 6303/3.0=80, 797/3.6=76...(15) H LYS 20 + HD2 ARG 19 OK 70 100 70 100 4.1-6.2 6303/3.0=80, 797/3.6=76...(15) HE ARG 30 - HD3 ARG 19 far 5 100 5 - 5.2-12.9 HE ARG 30 - HD2 ARG 19 far 5 100 5 - 6.0-13.1 H SER 9 - HD2 ARG 19 far 0 93 0 - 9.0-12.1 H GLU 28 - HD3 ARG 19 far 0 100 0 - 9.8-13.5 H SER 9 - HD3 ARG 19 far 0 93 0 - 9.9-12.7 Violated in 1 structures by 0.00 A. Peak 844 from cnoeabs.peaks (7.79, 4.05, 59.30 ppm; 3.35 A): 3 out of 5 assignments used, quality = 1.00: * H LYS 20 + HA LYS 20 OK 100 100 100 100 2.7-2.9 2.9=100 H LYS 20 + HA GLU 16 OK 66 81 95 87 3.5-4.8 6306=34, 6291/6278=27...(18) H GLU 99 + HA GLU 95 OK 31 59 85 61 3.3-4.8 7595/7583=18...(9) HE ARG 30 - HA GLU 16 far 0 80 0 - 9.4-14.1 H GLU 28 - HA LYS 20 far 0 100 0 - 9.9-11.6 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 2.4-3.0 3.0=100 HB2 ARG 19 + HA GLU 16 OK 45 80 65 87 2.5-4.7 1.8/798=30, 788=26...(14) HB2 ARG 19 - HA LYS 20 far 0 100 0 - 4.1-5.6 HB2 LYS 94 - HA GLU 95 far 0 35 0 - 5.0-5.6 HB2 LYS 20 - HA GLU 16 far 0 81 0 - 5.1-8.0 HB2 LYS 12 - HA GLU 16 far 0 62 0 - 5.7-6.4 HB3 LYS 12 - HA GLU 16 far 0 65 0 - 7.1-7.9 HB3 LEU 14 - HA GLU 16 far 0 76 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 62 0 - 7.5-8.1 HB2 LYS 13 - HA GLU 16 far 0 60 0 - 7.8-8.6 HB2 LYS 94 - HA LYS 20 far 0 71 0 - 9.5-11.3 HB VAL 5 - HA LYS 20 far 0 81 0 - 9.7-10.5 HB VAL 5 - HA GLU 16 far 0 58 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 847 from cnoeabs.peaks (1.93, 4.05, 59.30 ppm; 3.15 A): 2 out of 15 assignments used, quality = 1.00: * HB3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 19 + HA GLU 16 OK 64 80 90 89 2.2-4.6 798=35, 1.8/788=25...(16) HB3 ARG 19 - HA LYS 20 far 0 100 0 - 4.2-5.6 HB3 LYS 24 - HA LYS 20 far 0 81 0 - 4.7-7.9 HB2 LYS 24 - HA LYS 20 far 0 81 0 - 4.9-7.6 HB3 LYS 20 - HA GLU 16 far 0 81 0 - 4.9-6.8 HB2 LYS 94 - HA GLU 95 far 0 55 0 - 5.0-5.6 HB2 GLU 17 - HA GLU 16 far 0 79 0 - 6.5-6.6 HB3 LEU 14 - HA GLU 16 far 0 52 0 - 7.5-8.4 HB3 LYS 13 - HA GLU 16 far 0 69 0 - 7.5-8.1 HB2 GLU 17 - HA LYS 20 far 0 100 0 - 7.6-8.3 HB2 LYS 13 - HA GLU 16 far 0 71 0 - 7.8-8.6 HB2 LYS 94 - HA LYS 20 far 0 98 0 - 9.5-11.3 HB2 LYS 24 - HA GLU 95 far 0 41 0 - 9.6-12.8 HB3 LYS 24 - HA GLU 95 far 0 41 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 848 from cnoeabs.peaks (1.46, 4.05, 59.30 ppm; 3.37 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.2-3.6 3.7=77, 6309/2.9=48...(69) HG2 LYS 20 - HA GLU 16 poor 17 81 30 72 3.6-6.3 10462/3.0=17...(17) QB ALA 22 - HA LYS 20 far 0 90 0 - 4.8-5.4 HG2 LYS 12 - HA GLU 16 far 0 76 0 - 6.4-8.5 HB2 ARG 91 - HA GLU 95 far 0 39 0 - 6.5-9.0 HG3 ARG 91 - HA GLU 95 far 0 58 0 - 6.6-10.2 QB ALA 22 - HA GLU 16 far 0 66 0 - 6.9-7.7 HG LEU 29 - HA GLU 16 far 0 66 0 - 7.3-8.6 HB2 LEU 27 - HA LYS 20 far 0 100 0 - 8.3-9.3 HG LEU 29 - HA LYS 20 far 0 90 0 - 8.6-9.8 HG2 LYS 13 - HA GLU 16 far 0 60 0 - 8.8-9.8 QB ALA 22 - HA GLU 95 far 0 47 0 - 8.9-10.5 HG12 ILE 7 - HA GLU 16 far 0 50 0 - 9.0-9.9 HB2 LEU 27 - HA GLU 95 far 0 59 0 - 10.0-10.8 Violated in 5 structures by 0.03 A. Peak 849 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.36 A): 5 out of 18 assignments used, quality = 1.00: * HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.6-4.0 3.7=77, 1.8/848=60...(70) HD2 LYS 20 + HA LYS 20 OK 30 100 30 99 2.4-5.1 2.8/848=46, 5.3=26...(96) HD3 LYS 20 + HA LYS 20 OK 30 100 30 99 2.2-5.4 2.8/848=46, 5.3=26...(96) HD3 LYS 20 + HA GLU 16 OK 26 81 45 71 3.3-6.9 12146/3.0=15, ~12146=11...(18) HD2 LYS 20 + HA GLU 16 OK 25 80 45 70 3.4-6.5 12146/3.0=18, 905=11...(18) HG3 LYS 20 - HA GLU 16 poor 15 81 30 62 3.5-7.1 893/6306=14, 1.8/883=11...(13) HD2 LYS 24 - HA LYS 20 far 5 91 5 - 3.5-7.7 HD3 LYS 24 - HA LYS 20 far 4 90 5 - 3.8-8.3 HD2 LYS 12 - HA GLU 16 far 0 61 0 - 5.2-9.3 HD3 LYS 12 - HA GLU 16 far 0 61 0 - 5.5-9.3 HG12 ILE 15 - HA GLU 16 far 0 70 0 - 6.2-6.5 HD3 LYS 13 - HA GLU 16 far 0 58 0 - 6.5-9.7 HD2 LYS 13 - HA GLU 16 far 0 61 0 - 6.5-10.3 HB3 ARG 91 - HA GLU 95 far 0 57 0 - 6.7-9.1 HD3 LYS 90 - HA GLU 16 far 0 66 0 - 7.5-12.2 HD3 LYS 90 - HA LYS 20 far 0 90 0 - 7.7-11.8 HG2 PRO 86 - HA GLU 16 far 0 71 0 - 9.3-11.6 HD3 LYS 90 - HA GLU 95 far 0 47 0 - 9.3-13.3 Violated in 0 structures by 0.00 A. Peak 850 from cnoeabs.peaks (1.68, 4.05, 59.30 ppm; 3.36 A): 5 out of 18 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.6-4.0 3.7=77, 1.8/848=60...(70) * HD2 LYS 20 + HA LYS 20 OK 30 100 30 99 2.4-5.1 2.8/848=46, 5.3=26...(96) HD3 LYS 20 + HA LYS 20 OK 30 100 30 99 2.2-5.4 2.8/848=46, 5.3=26...(96) HD3 LYS 20 + HA GLU 16 OK 26 80 45 71 3.3-6.9 12145/3.0=15, ~12146=11...(18) HD2 LYS 20 + HA GLU 16 OK 25 81 45 70 3.4-6.5 12145/3.0=18, 905=11...(18) HG3 LYS 20 - HA GLU 16 poor 15 80 30 62 3.5-7.1 893/6306=14, 1.8/883=11...(13) HD2 LYS 24 - HA LYS 20 far 5 94 5 - 3.5-7.7 HD3 LYS 24 - HA LYS 20 far 5 93 5 - 3.8-8.3 HD2 LYS 12 - HA GLU 16 far 0 65 0 - 5.2-9.3 HD3 LYS 12 - HA GLU 16 far 0 65 0 - 5.5-9.3 HG12 ILE 15 - HA GLU 16 far 0 73 0 - 6.2-6.5 HD3 LYS 13 - HA GLU 16 far 0 62 0 - 6.5-9.7 HD2 LYS 13 - HA GLU 16 far 0 65 0 - 6.5-10.3 HB3 ARG 91 - HA GLU 95 far 0 58 0 - 6.7-9.1 HD3 LYS 90 - HA GLU 16 far 0 70 0 - 7.5-12.2 HD3 LYS 90 - HA LYS 20 far 0 93 0 - 7.7-11.8 HG2 PRO 86 - HA GLU 16 far 0 74 0 - 9.3-11.6 HD3 LYS 90 - HA GLU 95 far 0 50 0 - 9.3-13.3 Violated in 0 structures by 0.00 A. Peak 851 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.36 A): 5 out of 18 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.6-4.0 3.7=77, 1.8/848=60...(70) HD2 LYS 20 + HA LYS 20 OK 30 100 30 99 2.4-5.1 2.8/848=46, 5.3=26...(96) * HD3 LYS 20 + HA LYS 20 OK 30 100 30 99 2.2-5.4 2.8/848=46, 5.3=26...(96) HD3 LYS 20 + HA GLU 16 OK 26 81 45 71 3.3-6.9 12146/3.0=15, ~12146=11...(18) HD2 LYS 20 + HA GLU 16 OK 25 80 45 70 3.4-6.5 12146/3.0=18, 905=11...(18) HG3 LYS 20 - HA GLU 16 poor 15 81 30 62 3.5-7.1 893/6306=14, 1.8/883=11...(13) HD2 LYS 24 - HA LYS 20 far 5 91 5 - 3.5-7.7 HD3 LYS 24 - HA LYS 20 far 4 90 5 - 3.8-8.3 HD2 LYS 12 - HA GLU 16 far 0 61 0 - 5.2-9.3 HD3 LYS 12 - HA GLU 16 far 0 61 0 - 5.5-9.3 HG12 ILE 15 - HA GLU 16 far 0 70 0 - 6.2-6.5 HD3 LYS 13 - HA GLU 16 far 0 58 0 - 6.5-9.7 HD2 LYS 13 - HA GLU 16 far 0 61 0 - 6.5-10.3 HB3 ARG 91 - HA GLU 95 far 0 57 0 - 6.7-9.1 HD3 LYS 90 - HA GLU 16 far 0 66 0 - 7.5-12.2 HD3 LYS 90 - HA LYS 20 far 0 90 0 - 7.7-11.8 HG2 PRO 86 - HA GLU 16 far 0 71 0 - 9.3-11.6 HD3 LYS 90 - HA GLU 95 far 0 47 0 - 9.3-13.3 Violated in 0 structures by 0.00 A. Peak 852 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 4.78 A): 4 out of 13 assignments used, quality = 0.99: HE3 LYS 20 + HA LYS 20 OK 85 100 85 100 2.1-6.0 3.6/848=68, 6.3=43...(96) * HE2 LYS 20 + HA LYS 20 OK 85 100 85 100 3.1-6.2 3.6/848=68, 6.3=43...(96) HE3 LYS 20 + HA GLU 16 OK 23 81 35 81 4.1-8.2 10530/3.0=21, ~12146=17...(14) HE2 LYS 20 + HA GLU 16 OK 20 81 30 83 3.9-7.9 10530/3.0=21, ~12146=17...(15) HE2 LYS 94 - HA GLU 95 poor 17 57 30 - 4.6-7.4 HE3 LYS 94 - HA GLU 95 poor 15 59 35 75 4.7-8.4 ~7535=23, ~7534=19...(8) HG2 MET 21 - HA LYS 20 far 0 81 0 - 6.0-7.4 HE3 LYS 90 - HA GLU 16 far 0 64 0 - 6.6-12.5 HE3 LYS 90 - HA LYS 20 far 0 87 0 - 7.9-12.5 HG2 MET 21 - HA GLU 16 far 0 58 0 - 8.2-10.4 HG2 MET 21 - HA GLU 95 far 0 41 0 - 9.0-10.4 HE2 LYS 94 - HA LYS 20 far 0 99 0 - 9.1-15.1 HE3 LYS 94 - HA LYS 20 far 0 100 0 - 9.9-14.7 Violated in 1 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 = 0.99: * HE3 LYS 20 + HA LYS 20 OK 85 100 85 100 2.1-6.0 3.6/848=68, 6.3=43...(96) HE2 LYS 20 + HA LYS 20 OK 85 100 85 100 3.1-6.2 3.6/848=68, 6.3=43...(96) HE3 LYS 20 + HA GLU 16 OK 23 81 35 81 4.1-8.2 10530/3.0=21, ~12146=17...(14) HE2 LYS 20 + HA GLU 16 OK 20 81 30 83 3.9-7.9 10530/3.0=21, ~12146=17...(15) HE2 LYS 94 - HA GLU 95 poor 17 57 30 - 4.6-7.4 HE3 LYS 94 - HA GLU 95 poor 15 59 35 75 4.7-8.4 ~7535=23, ~7534=19...(8) HG2 MET 21 - HA LYS 20 far 0 82 0 - 6.0-7.4 HE3 LYS 90 - HA GLU 16 far 0 65 0 - 6.6-12.5 HE3 LYS 90 - HA LYS 20 far 0 88 0 - 7.9-12.5 HG2 MET 21 - HA GLU 16 far 0 60 0 - 8.2-10.4 HG2 MET 21 - HA GLU 95 far 0 42 0 - 9.0-10.4 HE2 LYS 94 - HA LYS 20 far 0 100 0 - 9.1-15.1 HE3 LYS 94 - HA LYS 20 far 0 100 0 - 9.9-14.7 Violated in 1 structures by 0.00 A. Peak 854 from cnoeabs.peaks (7.68, 4.05, 59.30 ppm; 3.99 A): 2 out of 5 assignments used, quality = 1.00: * H MET 21 + HA LYS 20 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 98 + HA GLU 95 OK 32 39 100 81 3.0-3.5 7583=32, 7563/3.6=24...(8) H MET 21 - HA GLU 16 far 0 81 0 - 6.0-6.9 H ALA 25 - HA LYS 20 far 0 84 0 - 6.3-7.1 H ALA 25 - HA GLU 95 far 0 43 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 855 from cnoeabs.peaks (8.28, 4.05, 59.30 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 23 + HA LYS 20 OK 100 100 100 100 3.4-3.8 6358=100, 6354/6344=49...(9) H LYS 94 - HA GLU 95 far 0 55 0 - 5.2-5.5 H LEU 27 - HA LYS 20 far 0 68 0 - 7.7-8.5 H GLU 23 - HA GLU 16 far 0 81 0 - 7.8-8.8 H LYS 94 - HA LYS 20 far 0 98 0 - 9.5-10.9 H LEU 103 - HA GLU 95 far 0 56 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 856 from cnoeabs.peaks (2.09, 4.05, 59.30 ppm; 3.14 A): 1 out of 14 assignments used, quality = 0.77: HB2 GLU 16 + HA GLU 16 OK 77 77 100 100 2.5-3.0 3.0=100 ! HB2 GLU 23 - HA LYS 20 far 10 100 10 - 3.6-4.6 HB2 MET 21 - HA LYS 20 far 0 65 0 - 5.5-6.5 QE MET 21 - HA LYS 20 far 0 98 0 - 5.8-6.3 HB2 GLU 16 - HA LYS 20 far 0 99 0 - 5.8-8.4 QE MET 21 - HA GLU 95 far 0 55 0 - 6.0-7.3 HB2 MET 21 - HA GLU 16 far 0 46 0 - 7.2-9.4 HB2 PRO 86 - HA GLU 16 far 0 50 0 - 7.6-9.8 HB3 PRO 86 - HA GLU 16 far 0 71 0 - 8.0-10.0 HB2 MET 21 - HA GLU 95 far 0 31 0 - 8.7-10.9 HG3 GLU 104 - HA GLU 95 far 0 56 0 - 9.0-18.2 HB2 GLU 23 - HA GLU 16 far 0 81 0 - 9.1-10.5 QE MET 21 - HA GLU 16 far 0 76 0 - 9.1-9.8 HG3 GLU 28 - HA LYS 20 far 0 88 0 - 9.3-13.4 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 = 0.97: HB3 GLU 16 + HA GLU 16 OK 76 76 100 100 2.3-3.0 3.0=100 * HB3 GLU 23 + HA LYS 20 OK 67 100 100 67 2.2-3.4 6366/855=29, 1027=25...(6) HB3 GLU 95 + HA GLU 95 OK 58 58 100 100 2.2-3.0 3.0=100 HB3 GLU 16 - HA LYS 20 far 0 98 0 - 6.3-8.8 HB2 PRO 86 - HA GLU 16 far 0 49 0 - 7.6-9.8 HB3 GLU 23 - HA GLU 16 far 0 81 0 - 7.8-9.6 HG2 GLU 104 - HA GLU 95 far 0 58 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 858 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.97 A): 2 out of 12 assignments used, quality = 1.00: HA LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 * HA GLU 17 + HB2 LYS 20 OK 23 100 30 75 2.7-5.5 734/1.8=25, 732/4.0=24...(10) HA GLU 16 - HB2 LYS 20 far 0 99 0 - 5.1-8.0 HA LYS 66 - HB3 LYS 68 far 0 68 0 - 5.1-7.0 HA LEU 70 - HB3 LYS 39 far 0 39 0 - 5.6-7.8 HA GLU 16 - HB2 LYS 12 far 0 62 0 - 5.7-6.4 HA GLU 16 - HB3 LYS 12 far 0 66 0 - 7.1-7.9 HA LEU 70 - HB3 LYS 68 far 0 55 0 - 7.6-8.7 HA GLU 17 - HB2 LYS 12 far 0 63 0 - 8.5-9.9 HA LYS 66 - HB3 LYS 39 far 0 49 0 - 9.0-11.6 HA PRO 86 - HB2 LYS 20 far 0 63 0 - 9.0-12.7 HA GLU 17 - HB3 LYS 12 far 0 68 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 859 from cnoeabs.peaks (7.79, 1.89, 32.22 ppm; 4.09 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-3.6 4.0=100 H LYS 66 - HB3 LYS 68 far 13 83 15 - 4.9-7.2 H TYR 41 - HB3 LYS 39 far 0 42 0 - 5.0-5.7 H VAL 78 - HB3 LYS 68 far 0 47 0 - 7.1-10.5 H SER 9 - HB2 LYS 12 far 0 54 0 - 9.2-10.2 H SER 9 - HB3 LYS 12 far 0 58 0 - 9.3-10.1 H LYS 20 - HB2 LYS 12 far 0 63 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 860 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.97 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 17 + HB2 LYS 20 OK 23 100 30 75 2.7-5.5 734/1.8=25, 732/4.0=24...(10) HA GLU 16 - HB2 LYS 20 far 0 100 0 - 5.1-8.0 HA LYS 66 - HB3 LYS 68 far 0 66 0 - 5.1-7.0 HA LEU 70 - HB3 LYS 39 far 0 40 0 - 5.6-7.8 HA GLU 16 - HB2 LYS 12 far 0 62 0 - 5.7-6.4 HA GLU 16 - HB3 LYS 12 far 0 67 0 - 7.1-7.9 HA LEU 70 - HB3 LYS 68 far 0 57 0 - 7.6-8.7 HA GLU 17 - HB2 LYS 12 far 0 63 0 - 8.5-9.9 HA LYS 66 - HB3 LYS 39 far 0 48 0 - 9.0-11.6 HA PRO 86 - HB2 LYS 20 far 0 61 0 - 9.0-12.7 HA GLU 17 - HB3 LYS 12 far 0 68 0 - 9.7-11.0 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 27 assignments used, quality = 1.00: * HB3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 - HB2 LYS 20 far 0 81 0 - 4.4-7.8 HB2 LYS 13 - HB3 LYS 12 far 0 59 0 - 4.6-5.9 HB2 LYS 24 - HB2 LYS 20 far 0 81 0 - 4.6-8.7 HB2 GLU 17 - HB2 LYS 20 far 0 100 0 - 4.8-7.5 HG LEU 42 - HB3 LYS 39 far 0 33 0 - 5.4-6.7 HB3 LYS 13 - HB3 LYS 12 far 0 57 0 - 5.5-6.4 HB3 ARG 19 - HB2 LYS 20 far 0 100 0 - 5.5-7.3 HB2 LYS 13 - HB2 LYS 12 far 0 55 0 - 5.7-6.6 HB3 LYS 13 - HB2 LYS 12 far 0 53 0 - 6.0-6.8 HB2 GLU 43 - HB3 LYS 39 far 0 45 0 - 6.2-8.9 HB3 MET 74 - HB3 LYS 39 far 0 45 0 - 6.4-9.0 HB3 LEU 14 - HB3 LYS 12 far 0 43 0 - 6.9-7.4 HB2 LYS 73 - HB3 LYS 39 far 0 51 0 - 7.0-10.6 HB3 LEU 14 - HB2 LYS 12 far 0 39 0 - 7.1-7.7 HB3 LYS 73 - HB3 LYS 39 far 0 52 0 - 7.5-10.7 HB3 ARG 19 - HB2 LYS 12 far 0 63 0 - 7.7-10.0 HB2 LYS 94 - HB2 LYS 20 far 0 98 0 - 8.1-10.8 HB2 LYS 73 - HB3 LYS 68 far 0 71 0 - 8.4-10.4 HB3 ARG 46 - HB3 LYS 39 far 0 49 0 - 9.1-11.8 HB3 ARG 19 - HB3 LYS 12 far 0 67 0 - 9.2-11.6 HG LEU 42 - HB3 LYS 68 far 0 47 0 - 9.5-12.0 HB2 GLU 17 - HB2 LYS 12 far 0 62 0 - 9.7-11.0 HB3 LYS 13 - HB2 LYS 20 far 0 92 0 - 9.7-13.0 HB VAL 32 - HB3 LYS 39 far 0 64 0 - 9.7-11.7 HB3 MET 74 - HB3 LYS 68 far 0 63 0 - 9.8-13.6 HB ILE 8 - HB3 LYS 68 far 0 45 0 - 9.8-12.3 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 25 assignments used, quality = 1.00: * HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 64 64 100 100 2.6-3.0 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 59 59 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 58 58 100 100 2.5-3.0 3.0=100 HG LEU 64 + HB3 LYS 68 OK 44 71 75 82 3.0-5.8 ~12320=21, 9501/2857=13...(19) HG LEU 38 - HB3 LYS 39 far 3 65 5 - 3.4-7.8 HG2 LYS 13 - HB3 LYS 12 far 2 49 5 - 4.1-6.5 HG2 LYS 13 - HB2 LYS 12 far 0 45 0 - 4.9-7.7 HB3 LEU 64 - HB3 LYS 68 far 0 55 0 - 5.1-8.1 HB2 LEU 38 - HB3 LYS 39 far 0 65 0 - 5.1-7.3 QB ALA 22 - HB2 LYS 20 far 0 90 0 - 6.2-6.9 HD3 LYS 40 - HB3 LYS 39 far 0 63 0 - 6.3-8.7 HG2 LYS 73 - HB3 LYS 39 far 0 37 0 - 6.6-10.9 HD2 LYS 40 - HB3 LYS 39 far 0 64 0 - 6.6-9.3 HG2 LYS 66 - HB3 LYS 68 far 0 54 0 - 6.7-9.1 HG LEU 38 - HB3 LYS 68 far 0 86 0 - 7.5-12.4 HG2 LYS 73 - HB3 LYS 68 far 0 52 0 - 7.9-11.6 HG3 LYS 66 - HB3 LYS 68 far 0 50 0 - 8.0-10.3 HG13 ILE 76 - HB3 LYS 39 far 0 53 0 - 8.3-11.4 HB2 LEU 38 - HB3 LYS 68 far 0 86 0 - 9.0-12.0 HG2 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.3-11.3 HG LEU 29 - HB2 LYS 20 far 0 90 0 - 9.5-11.5 HG3 LYS 66 - HB3 LYS 39 far 0 35 0 - 9.5-12.8 HB2 LEU 27 - HB2 LYS 20 far 0 100 0 - 9.6-11.0 HD2 LYS 82 - HB3 LYS 68 far 0 86 0 - 9.8-12.9 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 42 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 20 + HB2 LYS 20 OK 84 100 85 98 2.4-4.1 3.5=65, ~848=12...(76) HD3 LYS 20 + HB2 LYS 20 OK 79 100 80 98 2.3-4.2 3.5=65, ~848=12...(76) HD2 LYS 68 + HB3 LYS 68 OK 71 72 100 99 2.1-3.9 3.5=67, ~3055=14...(70) HD3 LYS 68 + HB3 LYS 68 OK 60 71 85 99 2.3-4.1 3.5=67, 3044/3.0=19...(71) 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 2.0-3.8 3.6=62, 1726/1.8=29...(43) HD2 LYS 12 + HB3 LYS 12 OK 50 50 100 100 2.5-3.9 3.6=62, ~463=14, ~464=14...(86) HD3 LYS 12 + HB2 LYS 12 OK 46 46 100 100 2.1-3.7 3.6=62, ~463=14, ~464=14...(87) HD2 LYS 12 + HB2 LYS 12 OK 44 46 95 100 2.1-4.0 3.6=62, ~463=14, ~464=14...(87) HD3 LYS 12 + HB3 LYS 12 OK 43 50 85 100 2.1-4.2 3.6=62, ~463=14, ~464=14...(87) HD3 LYS 39 + HB3 LYS 39 OK 39 39 100 99 2.0-3.7 3.6=62, 1726/1.8=28...(45) HD3 LYS 13 - HB3 LYS 12 poor 14 48 30 - 3.4-7.1 HD3 LYS 24 - HB2 LYS 20 far 13 90 15 - 2.9-7.7 HD3 LYS 13 - HB2 LYS 12 far 7 44 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 5 50 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 5 46 10 - 3.7-7.8 HD2 LYS 24 - HB2 LYS 20 far 5 91 5 - 3.7-7.3 HG LEU 70 - HB3 LYS 39 far 0 50 0 - 4.2-7.9 HB2 LYS 40 - HB3 LYS 39 far 0 45 0 - 4.3-6.0 HB3 LYS 40 - HB3 LYS 39 far 0 63 0 - 4.6-6.5 HD3 LYS 73 - HB3 LYS 39 far 0 63 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 54 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 65 0 - 6.4-9.7 HG12 ILE 15 - HB3 LYS 12 far 0 58 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 69 0 - 6.7-9.3 HD3 LYS 90 - HB2 LYS 20 far 0 90 0 - 7.0-10.7 HB3 ARG 79 - HB3 LYS 68 far 0 74 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 64 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.0-11.1 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 85 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 43 0 - 8.9-10.9 HB ILE 76 - HB3 LYS 68 far 0 60 0 - 9.1-12.2 HD3 LYS 66 - HB3 LYS 39 far 0 47 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 84 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 81 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 84 0 - 9.6-14.1 HB3 LEU 6 - HB3 LYS 68 far 0 66 0 - 9.9-13.6 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 44 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 20 + HB2 LYS 20 OK 84 100 85 98 2.4-4.1 3.5=65, ~848=12...(76) HD3 LYS 20 + HB2 LYS 20 OK 79 100 80 98 2.3-4.2 3.5=65, ~848=12...(76) HD2 LYS 68 + HB3 LYS 68 OK 67 68 100 99 2.1-3.9 3.5=67, ~3055=14...(69) HD3 LYS 68 + HB3 LYS 68 OK 56 66 85 99 2.3-4.1 3.5=67, 3044/3.0=18...(71) HD2 LYS 12 + HB3 LYS 12 OK 54 54 100 100 2.5-3.9 3.6=62, ~463=14, ~464=14...(86) 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 2.0-3.8 3.6=62, 1726/1.8=28...(43) HD3 LYS 12 + HB2 LYS 12 OK 50 50 100 100 2.1-3.7 3.6=62, ~463=14, ~464=14...(87) HD2 LYS 12 + HB2 LYS 12 OK 47 50 95 100 2.1-4.0 3.6=62, ~463=14, ~464=14...(87) HD3 LYS 12 + HB3 LYS 12 OK 46 54 85 100 2.1-4.2 3.6=62, ~463=14, ~464=14...(87) HD3 LYS 39 + HB3 LYS 39 OK 35 35 100 99 2.0-3.7 3.6=62, 1726/1.8=26...(45) HD3 LYS 13 - HB3 LYS 12 poor 15 52 30 - 3.4-7.1 HD3 LYS 24 - HB2 LYS 20 far 14 93 15 - 2.9-7.7 HD3 LYS 13 - HB2 LYS 12 far 7 48 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 5 54 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 5 50 10 - 3.7-7.8 HD2 LYS 24 - HB2 LYS 20 far 5 94 5 - 3.7-7.3 HG LEU 70 - HB3 LYS 39 far 0 53 0 - 4.2-7.9 HB2 LYS 40 - HB3 LYS 39 far 0 42 0 - 4.3-6.0 HB3 LYS 40 - HB3 LYS 39 far 0 64 0 - 4.6-6.5 HB3 LEU 70 - HB3 LYS 39 far 0 33 0 - 5.0-7.5 HD3 LYS 73 - HB3 LYS 39 far 0 61 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 56 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 69 0 - 6.4-9.7 HG12 ILE 15 - HB3 LYS 12 far 0 61 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 73 0 - 6.7-9.3 HB3 LEU 70 - HB3 LYS 68 far 0 47 0 - 6.8-8.9 HD3 LYS 90 - HB2 LYS 20 far 0 93 0 - 7.0-10.7 HB3 ARG 79 - HB3 LYS 68 far 0 71 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 62 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.0-11.1 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 83 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 39 0 - 8.9-10.9 HB ILE 76 - HB3 LYS 68 far 0 55 0 - 9.1-12.2 HD3 LYS 66 - HB3 LYS 39 far 0 50 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 82 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 85 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 88 0 - 9.6-14.1 HB3 LEU 6 - HB3 LYS 68 far 0 62 0 - 9.9-13.6 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 42 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 20 + HB2 LYS 20 OK 84 100 85 98 2.4-4.1 3.5=65, ~848=12...(76) * HD3 LYS 20 + HB2 LYS 20 OK 79 100 80 98 2.3-4.2 3.5=65, ~848=12...(76) HD2 LYS 68 + HB3 LYS 68 OK 71 72 100 99 2.1-3.9 3.5=67, ~3055=14...(70) HD3 LYS 68 + HB3 LYS 68 OK 60 71 85 99 2.3-4.1 3.5=67, 3044/3.0=19...(71) 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 2.0-3.8 3.6=62, 1726/1.8=29...(43) HD2 LYS 12 + HB3 LYS 12 OK 50 50 100 100 2.5-3.9 3.6=62, ~463=14, ~464=14...(86) HD3 LYS 12 + HB2 LYS 12 OK 46 46 100 100 2.1-3.7 3.6=62, ~463=14, ~464=14...(87) HD2 LYS 12 + HB2 LYS 12 OK 44 46 95 100 2.1-4.0 3.6=62, ~463=14, ~464=14...(87) HD3 LYS 12 + HB3 LYS 12 OK 43 50 85 100 2.1-4.2 3.6=62, ~463=14, ~464=14...(87) HD3 LYS 39 + HB3 LYS 39 OK 39 39 100 99 2.0-3.7 3.6=62, 1726/1.8=28...(45) HD3 LYS 13 - HB3 LYS 12 poor 14 48 30 - 3.4-7.1 HD3 LYS 24 - HB2 LYS 20 far 13 90 15 - 2.9-7.7 HD3 LYS 13 - HB2 LYS 12 far 7 44 15 - 3.5-7.6 HD2 LYS 13 - HB3 LYS 12 far 5 50 10 - 3.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 5 46 10 - 3.7-7.8 HD2 LYS 24 - HB2 LYS 20 far 5 91 5 - 3.7-7.3 HG LEU 70 - HB3 LYS 39 far 0 50 0 - 4.2-7.9 HB2 LYS 40 - HB3 LYS 39 far 0 45 0 - 4.3-6.0 HB3 LYS 40 - HB3 LYS 39 far 0 63 0 - 4.6-6.5 HD3 LYS 73 - HB3 LYS 39 far 0 63 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 54 0 - 5.8-7.3 HD3 LYS 66 - HB3 LYS 68 far 0 65 0 - 6.4-9.7 HG12 ILE 15 - HB3 LYS 12 far 0 58 0 - 6.6-7.9 HG LEU 70 - HB3 LYS 68 far 0 69 0 - 6.7-9.3 HD3 LYS 90 - HB2 LYS 20 far 0 90 0 - 7.0-10.7 HB3 ARG 79 - HB3 LYS 68 far 0 74 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 64 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.0-11.1 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 85 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 43 0 - 8.9-10.9 HB ILE 76 - HB3 LYS 68 far 0 60 0 - 9.1-12.2 HD3 LYS 66 - HB3 LYS 39 far 0 47 0 - 9.2-13.2 HD3 LYS 73 - HB3 LYS 68 far 0 84 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.4-12.5 HD3 LYS 13 - HB2 LYS 20 far 0 81 0 - 9.5-14.4 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-12.4 HD2 LYS 13 - HB2 LYS 20 far 0 84 0 - 9.6-14.1 HB3 LEU 6 - HB3 LYS 68 far 0 66 0 - 9.9-13.6 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 24 assignments used, quality = 1.00: * HE2 LYS 20 + HB2 LYS 20 OK 95 100 95 100 2.2-5.1 4.7=64, 6313/4.0=21...(100) HE3 LYS 20 + HB2 LYS 20 OK 90 100 90 100 2.0-5.2 4.7=64, 929/1.8=20...(99) HE2 LYS 68 + HB3 LYS 68 OK 86 86 100 100 3.3-4.9 5.0=54, 3078/1.8=25...(84) HE3 LYS 68 + HB3 LYS 68 OK 86 86 100 100 3.1-4.9 5.0=54, 3078/1.8=23...(83) HE3 LYS 39 + HB3 LYS 39 OK 37 37 100 100 2.3-4.7 4.9=57, ~1737=24...(44) HG2 MET 21 - HB2 LYS 20 far 4 81 5 - 4.1-7.2 HE2 LYS 73 - HB3 LYS 39 far 0 32 0 - 5.8-12.1 HE3 LYS 73 - HB3 LYS 39 far 0 38 0 - 6.8-12.3 HE3 LYS 90 - HB2 LYS 20 far 0 87 0 - 7.2-11.1 HE3 LYS 66 - HB3 LYS 68 far 0 83 0 - 7.3-11.1 HE3 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.8-13.0 HB2 ASN 10 - HB3 LYS 12 far 0 61 0 - 7.9-9.3 HE2 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.9-12.9 HE2 LYS 66 - HB3 LYS 68 far 0 78 0 - 7.9-11.4 HE2 LYS 94 - HB2 LYS 20 far 0 99 0 - 8.3-14.3 HE3 LYS 66 - HB3 LYS 39 far 0 62 0 - 8.5-14.5 HE3 LYS 94 - HB2 LYS 20 far 0 100 0 - 8.7-14.1 HE3 LYS 73 - HB3 LYS 68 far 0 54 0 - 8.9-14.2 HB2 ASN 10 - HB2 LYS 12 far 0 56 0 - 9.0-10.0 HE2 LYS 66 - HB3 LYS 39 far 0 57 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.8 HE2 LYS 73 - HB3 LYS 68 far 0 45 0 - 9.5-12.8 HE3 LYS 90 - HB2 LYS 12 far 0 49 0 - 9.9-16.6 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 24 assignments used, quality = 1.00: HE2 LYS 20 + HB2 LYS 20 OK 95 100 95 100 2.2-5.1 4.7=64, 6314/4.0=21...(100) * HE3 LYS 20 + HB2 LYS 20 OK 90 100 90 100 2.0-5.2 4.7=64, 929/1.8=20...(99) HE2 LYS 68 + HB3 LYS 68 OK 86 86 100 100 3.3-4.9 5.0=54, 3078/1.8=24...(84) HE3 LYS 68 + HB3 LYS 68 OK 86 86 100 100 3.1-4.9 5.0=54, 3078/1.8=23...(83) HE3 LYS 39 + HB3 LYS 39 OK 35 35 100 100 2.3-4.7 4.9=57, ~1737=24...(43) HG2 MET 21 - HB2 LYS 20 far 4 82 5 - 4.1-7.2 HE2 LYS 73 - HB3 LYS 39 far 0 33 0 - 5.8-12.1 HE3 LYS 73 - HB3 LYS 39 far 0 39 0 - 6.8-12.3 HE3 LYS 90 - HB2 LYS 20 far 0 88 0 - 7.2-11.1 HE3 LYS 66 - HB3 LYS 68 far 0 82 0 - 7.3-11.1 HE3 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.8-13.0 HB2 ASN 10 - HB3 LYS 12 far 0 62 0 - 7.9-9.3 HE2 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.9-12.9 HE2 LYS 66 - HB3 LYS 68 far 0 77 0 - 7.9-11.4 HE2 LYS 94 - HB2 LYS 20 far 0 100 0 - 8.3-14.3 HE3 LYS 66 - HB3 LYS 39 far 0 61 0 - 8.5-14.5 HE3 LYS 94 - HB2 LYS 20 far 0 100 0 - 8.7-14.1 HE3 LYS 73 - HB3 LYS 68 far 0 55 0 - 8.9-14.2 HB2 ASN 10 - HB2 LYS 12 far 0 57 0 - 9.0-10.0 HE2 LYS 66 - HB3 LYS 39 far 0 56 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.8 HE2 LYS 73 - HB3 LYS 68 far 0 47 0 - 9.5-12.8 HE3 LYS 90 - HB2 LYS 12 far 0 50 0 - 9.9-16.6 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 2.7-3.9 6324=100, 6325/1.8=98...(16) H LEU 64 - HB3 LYS 68 far 0 55 0 - 6.3-8.9 H ALA 25 - HB2 LYS 20 far 0 84 0 - 7.2-8.4 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 19 assignments used, quality = 1.00: HA LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 * HA GLU 17 + HB3 LYS 20 OK 57 100 85 68 2.7-4.9 734=26, 732/871=19...(10) HA LEU 70 + HB2 LYS 73 OK 34 46 100 74 2.0-4.1 10813/2.9=19, 10815=19...(13) HA LEU 70 + HB3 LYS 73 OK 21 48 60 74 3.4-5.1 10813/2.9=19...(13) HA LYS 20 - HB3 LYS 24 far 0 58 0 - 4.7-7.9 HA LYS 20 - HB2 LYS 24 far 0 58 0 - 4.9-7.6 HA GLU 16 - HB3 LYS 20 far 0 99 0 - 4.9-6.8 HA GLU 95 - HB2 LYS 94 far 0 69 0 - 5.0-5.6 HA ARG 46 - HB3 LYS 47 far 0 74 0 - 5.5-5.9 HB2 SER 49 - HB3 LYS 47 far 0 87 0 - 6.9-8.7 HA LYS 66 - HB2 LYS 73 far 0 57 0 - 7.3-8.7 HA GLU 17 - HB3 LYS 24 far 0 58 0 - 7.9-11.1 HA PRO 86 - HB3 LYS 20 far 0 63 0 - 8.7-11.8 HA LYS 66 - HB3 LYS 73 far 0 59 0 - 8.7-10.0 HA GLU 17 - HB2 LYS 24 far 0 58 0 - 8.9-11.1 HA GLU 17 - HB2 LYS 94 far 0 96 0 - 8.9-11.9 HA LYS 20 - HB2 LYS 94 far 0 96 0 - 9.5-11.3 HA GLU 95 - HB2 LYS 24 far 0 38 0 - 9.6-12.8 HA GLU 95 - HB3 LYS 24 far 0 38 0 - 9.6-12.2 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 9 assignments used, quality = 0.99: * H LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.1-3.6 4.0=59, 6315/6325=48...(15) H LYS 20 - HB3 LYS 24 far 0 58 0 - 6.5-9.5 H LYS 20 - HB2 LYS 24 far 0 58 0 - 6.9-9.6 H GLU 99 - HB2 MET 1 far 0 56 0 - 7.8-12.5 H GLU 99 - HB2 LYS 94 far 0 96 0 - 7.8-9.2 H LYS 20 - HB2 LYS 94 far 0 96 0 - 9.2-11.7 H GLU 28 - HB2 MET 1 far 0 55 0 - 9.8-11.9 H VAL 78 - HB2 LYS 73 far 0 39 0 - 9.9-11.6 H LYS 66 - HB2 LYS 73 far 0 72 0 - 9.9-11.1 Violated in 1 structures by 0.01 A. Peak 872 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.23 A): 4 out of 19 assignments used, quality = 1.00: * HA LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 17 + HB3 LYS 20 OK 57 100 85 68 2.7-4.9 734=26, 732/871=19...(10) HA LEU 70 + HB2 LYS 73 OK 36 47 100 75 2.0-4.1 10813/2.9=20, 10815=19...(13) HA LEU 70 + HB3 LYS 73 OK 22 49 60 75 3.4-5.1 10813/2.9=20...(13) HA LYS 20 - HB3 LYS 24 far 0 58 0 - 4.7-7.9 HA LYS 20 - HB2 LYS 24 far 0 58 0 - 4.9-7.6 HA GLU 16 - HB3 LYS 20 far 0 100 0 - 4.9-6.8 HA GLU 95 - HB2 LYS 94 far 0 71 0 - 5.0-5.6 HA ARG 46 - HB3 LYS 47 far 0 73 0 - 5.5-5.9 HB2 SER 49 - HB3 LYS 47 far 0 87 0 - 6.9-8.7 HA LYS 66 - HB2 LYS 73 far 0 56 0 - 7.3-8.7 HA GLU 17 - HB3 LYS 24 far 0 58 0 - 7.9-11.1 HA PRO 86 - HB3 LYS 20 far 0 61 0 - 8.7-11.8 HA LYS 66 - HB3 LYS 73 far 0 58 0 - 8.7-10.0 HA GLU 17 - HB2 LYS 24 far 0 58 0 - 8.9-11.1 HA GLU 17 - HB2 LYS 94 far 0 96 0 - 8.9-11.9 HA LYS 20 - HB2 LYS 94 far 0 96 0 - 9.5-11.3 HA GLU 95 - HB2 LYS 24 far 0 39 0 - 9.6-12.8 HA GLU 95 - HB3 LYS 24 far 0 39 0 - 9.6-12.2 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 18 assignments used, quality = 1.00: * HB2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 20 - HB3 LYS 24 far 0 58 0 - 4.4-7.8 HB2 LYS 20 - HB2 LYS 24 far 0 58 0 - 4.6-8.7 HB2 ARG 19 - HB3 LYS 20 far 0 100 0 - 4.7-7.4 HB2 LYS 94 - HB3 LYS 24 far 0 34 0 - 5.1-8.0 HB2 LYS 94 - HB2 LYS 24 far 0 34 0 - 5.2-8.3 HB2 GLU 43 - HB3 LYS 47 far 0 79 0 - 6.3-8.3 HB3 LYS 39 - HB2 LYS 73 far 0 55 0 - 7.0-10.6 HB3 LYS 39 - HB3 LYS 73 far 0 57 0 - 7.5-10.7 HG LEU 42 - HB2 LYS 73 far 0 73 0 - 7.6-11.1 HB2 LYS 20 - HB2 LYS 94 far 0 96 0 - 8.1-10.8 HG LEU 42 - HB3 LYS 73 far 0 76 0 - 8.3-11.7 HB3 LYS 68 - HB2 LYS 73 far 0 65 0 - 8.4-10.4 HB2 ARG 19 - HB3 LYS 24 far 0 57 0 - 8.4-12.6 HB2 LYS 94 - HB3 LYS 20 far 0 71 0 - 8.5-11.8 HB2 ARG 19 - HB2 LYS 24 far 0 57 0 - 9.0-12.2 HB3 LYS 13 - HB3 LYS 20 far 0 85 0 - 9.2-11.9 HB3 LYS 66 - HB2 LYS 73 far 0 53 0 - 9.6-11.0 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 36 assignments used, quality = 1.00: * HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-3.0 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 2.4-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 43 43 100 100 2.2-3.0 2.9=100 HB2 ARG 91 - HB2 LYS 94 far 0 71 0 - 4.9-8.1 HG3 LYS 39 - HB2 LYS 73 far 0 67 0 - 5.0-9.0 HG3 ARG 91 - HB2 LYS 94 far 0 95 0 - 5.0-8.3 HG3 LYS 39 - HB3 LYS 73 far 0 70 0 - 5.4-9.0 QB ALA 22 - HB3 LYS 24 far 0 46 0 - 5.6-7.5 HG2 LYS 20 - HB2 LYS 24 far 0 58 0 - 5.7-9.8 HG3 LYS 53 - HB2 MET 1 far 0 53 0 - 5.7-9.6 HG2 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.9-10.0 HD2 LYS 53 - HB2 MET 1 far 0 56 0 - 5.9-10.1 QB ALA 22 - HB3 LYS 20 far 0 90 0 - 6.0-6.8 QB ALA 22 - HB2 LYS 24 far 0 46 0 - 6.1-7.5 QB ALA 22 - HB2 LYS 94 far 0 82 0 - 6.8-8.5 HG13 ILE 76 - HB2 LYS 73 far 0 62 0 - 7.0-9.8 HG2 LYS 53 - HB2 MET 1 far 0 55 0 - 7.2-8.7 HG13 ILE 76 - HB3 LYS 73 far 0 64 0 - 7.2-9.8 HB2 LEU 27 - HB3 LYS 24 far 0 58 0 - 7.2-9.7 HG13 ILE 52 - HB3 LYS 47 far 0 88 0 - 7.3-9.8 HB2 LEU 27 - HB2 LYS 24 far 0 58 0 - 7.4-9.2 HG LEU 38 - HB2 LYS 73 far 0 75 0 - 7.9-12.5 HG13 ILE 76 - HB3 LYS 47 far 0 74 0 - 8.1-10.8 HG13 ILE 52 - HB2 MET 1 far 0 56 0 - 8.1-10.2 HB2 LEU 38 - HB2 LYS 73 far 0 75 0 - 8.2-12.2 HB2 LEU 27 - HB2 LYS 94 far 0 96 0 - 8.5-9.6 HG2 LYS 20 - HB2 LYS 94 far 0 96 0 - 8.6-12.8 HG2 LYS 66 - HB2 LYS 73 far 0 45 0 - 8.7-11.5 HG LEU 38 - HB3 LYS 73 far 0 77 0 - 9.2-13.5 HB2 LEU 38 - HB3 LYS 73 far 0 77 0 - 9.3-13.1 HG LEU 29 - HB3 LYS 20 far 0 90 0 - 9.3-10.6 HG3 LYS 66 - HB2 LYS 73 far 0 42 0 - 9.4-11.7 HB2 LEU 27 - HB3 LYS 20 far 0 100 0 - 9.7-10.8 HG2 LYS 66 - HB3 LYS 73 far 0 46 0 - 9.9-12.7 HB2 ARG 91 - HB3 LYS 20 far 0 79 0 - 9.9-14.7 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 50 assignments used, quality = 1.00: * HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-3.0 3.0=92, 893/871=27...(45) HD3 LYS 20 + HB3 LYS 20 OK 97 100 100 97 2.0-3.7 3.5=54, 6312/871=12...(78) HD2 LYS 47 + HB3 LYS 47 OK 85 87 100 98 2.0-3.7 3.9=38, 6774/6771=12...(127) HD2 LYS 20 + HB3 LYS 20 OK 77 100 80 97 2.0-4.2 3.5=54, 5.9/871=11...(78) HD2 LYS 73 + HB3 LYS 73 OK 75 76 100 99 2.1-3.5 3.6=51, 3298/2.9=19...(125) HD3 LYS 73 + HB3 LYS 73 OK 70 75 95 99 2.0-3.8 3.6=51, 3298/2.9=19...(134) HD3 LYS 47 + HB3 LYS 47 OK 64 86 75 99 2.3-4.2 3.9=38, 6774/6771=11...(128) HD2 LYS 73 + HB2 LYS 73 OK 62 73 85 99 2.3-4.2 3.6=51, 3298/2.9=19...(132) HD3 LYS 73 + HB2 LYS 73 OK 54 72 75 99 2.8-4.2 3.6=51, 3298/2.9=19...(140) HD2 LYS 24 + HB2 LYS 24 OK 44 47 95 99 2.5-3.8 3.6=52, 1107/3.0=15...(119) HD2 LYS 24 + HB3 LYS 24 OK 42 47 90 99 2.5-3.9 3.6=52, 1107/3.0=15...(118) HD3 LYS 24 + HB2 LYS 24 OK 34 46 75 99 2.4-4.2 3.6=52, 1118/3.0=15...(123) HD3 LYS 24 + HB3 LYS 24 OK 25 46 55 99 2.1-4.2 3.6=52, 1118/3.0=15...(121) HD3 LYS 24 - HB3 LYS 20 far 0 90 0 - 4.1-9.3 HD2 LYS 39 - HB3 LYS 73 far 0 65 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 63 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 58 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 91 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.1-9.7 HB3 ARG 91 - HB2 LYS 94 far 0 94 0 - 5.3-7.8 HD3 LYS 90 - HB2 LYS 94 far 0 82 0 - 5.4-10.9 HD3 LYS 90 - HB3 LYS 20 far 0 90 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 39 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 48 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 46 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 61 0 - 6.0-7.6 HB ILE 52 - HB3 LYS 47 far 0 87 0 - 6.5-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 53 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 50 0 - 7.5-9.1 HD3 LYS 90 - HB2 LYS 24 far 0 46 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 55 0 - 7.7-11.8 HD3 LYS 24 - HB2 LYS 94 far 0 82 0 - 7.7-10.1 HD2 LYS 24 - HB2 LYS 94 far 0 83 0 - 7.8-10.2 HB ILE 52 - HB2 MET 1 far 0 55 0 - 8.0-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 96 0 - 8.1-12.7 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 84 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 61 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 81 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 47 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 57 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 46 0 - 9.1-11.4 HB2 LEU 2 - HB3 LYS 47 far 0 66 0 - 9.3-11.8 HG2 PRO 86 - HB3 LYS 20 far 0 94 0 - 9.6-12.7 HD3 LYS 68 - HB2 LYS 73 far 0 60 0 - 9.9-12.1 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 52 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-3.0 3.0=92, 893/871=27...(45) HD3 LYS 20 + HB3 LYS 20 OK 97 100 100 97 2.0-3.7 3.5=54, 6311/871=12...(78) HD2 LYS 47 + HB3 LYS 47 OK 86 87 100 98 2.0-3.7 3.9=38, 6774/6771=12...(127) * HD2 LYS 20 + HB3 LYS 20 OK 77 100 80 97 2.0-4.2 3.5=54, 5.9/871=11...(78) HD2 LYS 73 + HB3 LYS 73 OK 73 74 100 99 2.1-3.5 3.6=51, 3298/2.9=19...(125) HD3 LYS 73 + HB3 LYS 73 OK 69 73 95 99 2.0-3.8 3.6=51, 3298/2.9=19...(134) HD3 LYS 47 + HB3 LYS 47 OK 64 87 75 99 2.3-4.2 3.9=38, 6774/6771=11...(128) HD2 LYS 73 + HB2 LYS 73 OK 61 72 85 99 2.3-4.2 3.6=51, 3298/2.9=19...(132) HD3 LYS 73 + HB2 LYS 73 OK 53 71 75 99 2.8-4.2 3.6=51, 3298/2.9=19...(140) HD2 LYS 24 + HB2 LYS 24 OK 47 50 95 99 2.5-3.8 3.6=52, 1107/3.0=15...(119) HD2 LYS 24 + HB3 LYS 24 OK 44 50 90 99 2.5-3.9 3.6=52, 1107/3.0=15...(118) HD3 LYS 24 + HB2 LYS 24 OK 36 49 75 99 2.4-4.2 3.6=52, 1118/3.0=16...(123) HD3 LYS 24 + HB3 LYS 24 OK 27 49 55 99 2.1-4.2 3.6=52, 1118/3.0=16...(121) HD3 LYS 24 - HB3 LYS 20 far 0 93 0 - 4.1-9.3 HB3 LEU 70 - HB2 LYS 73 far 0 39 0 - 4.2-6.8 HD2 LYS 39 - HB3 LYS 73 far 0 62 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 60 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 62 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 94 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 57 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 40 0 - 5.2-8.0 HB3 ARG 91 - HB2 LYS 94 far 0 95 0 - 5.3-7.8 HD3 LYS 90 - HB2 LYS 94 far 0 86 0 - 5.4-10.9 HD3 LYS 90 - HB3 LYS 20 far 0 93 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 42 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 43 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 42 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 64 0 - 6.0-7.6 HB ILE 52 - HB3 LYS 47 far 0 86 0 - 6.5-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 57 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 57 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 46 0 - 7.5-9.1 HD3 LYS 90 - HB2 LYS 24 far 0 49 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 58 0 - 7.7-11.8 HD3 LYS 24 - HB2 LYS 94 far 0 86 0 - 7.7-10.1 HD2 LYS 24 - HB2 LYS 94 far 0 87 0 - 7.8-10.2 HB ILE 52 - HB2 MET 1 far 0 54 0 - 8.0-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 95 0 - 8.1-12.7 HB ILE 76 - HB3 LYS 73 far 0 48 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 88 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 57 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 85 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 43 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 61 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 49 0 - 9.1-11.4 HB2 LEU 2 - HB3 LYS 47 far 0 70 0 - 9.3-11.8 HG2 PRO 86 - HB3 LYS 20 far 0 96 0 - 9.6-12.7 HD3 LYS 68 - HB2 LYS 73 far 0 56 0 - 9.9-12.1 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 50 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-3.0 3.0=92, 893/871=27...(45) * HD3 LYS 20 + HB3 LYS 20 OK 97 100 100 97 2.0-3.7 3.5=54, 6312/871=12...(78) HD2 LYS 47 + HB3 LYS 47 OK 85 87 100 98 2.0-3.7 3.9=38, 6774/6771=12...(127) HD2 LYS 20 + HB3 LYS 20 OK 77 100 80 97 2.0-4.2 3.5=54, 5.9/871=11...(78) HD2 LYS 73 + HB3 LYS 73 OK 75 76 100 99 2.1-3.5 3.6=51, 3298/2.9=19...(125) HD3 LYS 73 + HB3 LYS 73 OK 70 75 95 99 2.0-3.8 3.6=51, 3298/2.9=19...(134) HD3 LYS 47 + HB3 LYS 47 OK 64 86 75 99 2.3-4.2 3.9=38, 6774/6771=11...(128) HD2 LYS 73 + HB2 LYS 73 OK 62 73 85 99 2.3-4.2 3.6=51, 3298/2.9=19...(132) HD3 LYS 73 + HB2 LYS 73 OK 54 72 75 99 2.8-4.2 3.6=51, 3298/2.9=19...(140) HD2 LYS 24 + HB2 LYS 24 OK 44 47 95 99 2.5-3.8 3.6=52, 1107/3.0=15...(119) HD2 LYS 24 + HB3 LYS 24 OK 42 47 90 99 2.5-3.9 3.6=52, 1107/3.0=15...(118) HD3 LYS 24 + HB2 LYS 24 OK 34 46 75 99 2.4-4.2 3.6=52, 1118/3.0=15...(123) HD3 LYS 24 + HB3 LYS 24 OK 25 46 55 99 2.1-4.2 3.6=52, 1118/3.0=15...(121) HD3 LYS 24 - HB3 LYS 20 far 0 90 0 - 4.1-9.3 HD2 LYS 39 - HB3 LYS 73 far 0 65 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 63 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 58 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 91 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.1-9.7 HB3 ARG 91 - HB2 LYS 94 far 0 94 0 - 5.3-7.8 HD3 LYS 90 - HB2 LYS 94 far 0 82 0 - 5.4-10.9 HD3 LYS 90 - HB3 LYS 20 far 0 90 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 39 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 48 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 46 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 61 0 - 6.0-7.6 HB ILE 52 - HB3 LYS 47 far 0 87 0 - 6.5-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 53 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 50 0 - 7.5-9.1 HD3 LYS 90 - HB2 LYS 24 far 0 46 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 55 0 - 7.7-11.8 HD3 LYS 24 - HB2 LYS 94 far 0 82 0 - 7.7-10.1 HD2 LYS 24 - HB2 LYS 94 far 0 83 0 - 7.8-10.2 HB ILE 52 - HB2 MET 1 far 0 55 0 - 8.0-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 96 0 - 8.1-12.7 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 84 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 61 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 81 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 47 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 57 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 46 0 - 9.1-11.4 HB2 LEU 2 - HB3 LYS 47 far 0 66 0 - 9.3-11.8 HG2 PRO 86 - HB3 LYS 20 far 0 94 0 - 9.6-12.7 HD3 LYS 68 - HB2 LYS 73 far 0 60 0 - 9.9-12.1 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 37 assignments used, quality = 1.00: * HE2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-5.0 4.7=64, 6313/871=24...(100) HE3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.1-4.7 4.7=64, 6314/871=23...(100) HE3 LYS 94 + HB2 LYS 94 OK 95 96 100 100 2.1-4.7 4.8=62, 4266/1.8=32...(46) HE2 LYS 94 + HB2 LYS 94 OK 94 94 100 100 2.0-4.9 4.8=62, 4206/1.8=41...(45) HE3 LYS 73 + HB3 LYS 73 OK 46 46 100 100 2.1-4.6 4.9=58, ~3234=15...(127) HG2 MET 21 + HB2 LYS 94 OK 39 73 65 82 3.8-6.4 8534/7513=34, ~12253=17...(13) HE2 LYS 73 + HB3 LYS 73 OK 39 39 100 100 2.5-4.8 4.9=58, ~3234=15...(122) HE3 LYS 73 + HB2 LYS 73 OK 36 45 80 100 3.3-5.2 4.9=58, ~3234=15...(129) HE2 LYS 73 + HB2 LYS 73 OK 35 37 95 100 3.4-5.1 4.9=58, ~3234=15...(132) HB2 ASN 51 + HB2 MET 1 OK 23 32 75 97 3.3-5.6 8005/3.0=50, ~8006=34...(15) HG2 MET 21 - HB3 LYS 20 far 12 81 15 - 4.0-7.5 HE2 LYS 94 - HB3 LYS 24 far 8 56 15 - 4.1-11.2 HE3 LYS 39 - HB3 LYS 73 far 4 45 10 - 3.7-9.2 HE3 LYS 39 - HB2 LYS 73 far 4 43 10 - 3.6-9.3 HE3 LYS 94 - HB2 LYS 24 far 3 58 5 - 4.8-12.3 HE2 LYS 94 - HB2 LYS 24 far 3 56 5 - 3.5-11.9 HG2 MET 21 - HB3 LYS 24 far 2 40 5 - 4.9-8.1 HE3 LYS 94 - HB3 LYS 24 far 0 58 0 - 5.0-11.0 HG2 MET 21 - HB2 LYS 24 far 0 40 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 87 0 - 5.5-9.9 HE2 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.5-11.2 HE3 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.7-11.9 HE2 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.0-11.8 HE3 LYS 90 - HB2 LYS 94 far 0 79 0 - 7.4-10.5 HE3 LYS 66 - HB2 LYS 73 far 0 71 0 - 7.6-12.7 HE3 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.8-11.5 HE2 LYS 94 - HB3 LYS 20 far 0 99 0 - 7.8-15.6 HE2 LYS 68 - HB2 LYS 73 far 0 75 0 - 8.2-12.4 HE3 LYS 94 - HB3 LYS 20 far 0 100 0 - 8.3-15.2 HE3 LYS 90 - HB3 LYS 24 far 0 44 0 - 8.8-12.4 HE3 LYS 66 - HB3 LYS 73 far 0 74 0 - 8.8-13.9 HE3 LYS 68 - HB2 LYS 73 far 0 74 0 - 9.0-12.8 HE2 LYS 66 - HB2 LYS 73 far 0 66 0 - 9.2-11.6 HE2 LYS 20 - HB2 LYS 94 far 0 96 0 - 9.2-14.8 HE3 LYS 90 - HB2 LYS 24 far 0 44 0 - 9.3-12.7 HE2 LYS 68 - HB3 LYS 73 far 0 77 0 - 9.6-13.8 HE3 LYS 20 - HB2 LYS 94 far 0 96 0 - 9.8-14.7 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 37 assignments used, quality = 1.00: * HE3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.1-4.7 4.7=64, 6314/871=23...(100) HE2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-5.0 4.7=64, 6314/871=24...(100) HE3 LYS 94 + HB2 LYS 94 OK 95 96 100 100 2.1-4.7 4.8=62, 4266/1.8=32...(46) HE2 LYS 94 + HB2 LYS 94 OK 94 94 100 100 2.0-4.9 4.8=62, 4206/1.8=41...(45) HE3 LYS 73 + HB3 LYS 73 OK 48 48 100 100 2.1-4.6 4.9=58, ~3234=15...(127) HE2 LYS 73 + HB3 LYS 73 OK 40 40 100 100 2.5-4.8 4.9=58, ~3234=15...(122) HG2 MET 21 + HB2 LYS 94 OK 40 75 65 83 3.8-6.4 8534/7513=35, ~12253=17...(13) HE3 LYS 73 + HB2 LYS 73 OK 37 46 80 100 3.3-5.2 4.9=58, ~3234=15...(129) HE2 LYS 73 + HB2 LYS 73 OK 37 39 95 100 3.4-5.1 4.9=58, ~3234=15...(132) HB2 ASN 51 + HB2 MET 1 OK 24 33 75 97 3.3-5.6 8005/3.0=51, ~8006=34...(15) HG2 MET 21 - HB3 LYS 20 far 12 82 15 - 4.0-7.5 HE2 LYS 94 - HB3 LYS 24 far 8 56 15 - 4.1-11.2 HE3 LYS 39 - HB3 LYS 73 far 4 43 10 - 3.7-9.2 HE3 LYS 39 - HB2 LYS 73 far 4 42 10 - 3.6-9.3 HE3 LYS 94 - HB2 LYS 24 far 3 58 5 - 4.8-12.3 HE2 LYS 94 - HB2 LYS 24 far 3 56 5 - 3.5-11.9 HG2 MET 21 - HB3 LYS 24 far 2 41 5 - 4.9-8.1 HE3 LYS 94 - HB3 LYS 24 far 0 58 0 - 5.0-11.0 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 88 0 - 5.5-9.9 HE2 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.5-11.2 HE3 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.7-11.9 HE2 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.0-11.8 HE3 LYS 90 - HB2 LYS 94 far 0 81 0 - 7.4-10.5 HE3 LYS 66 - HB2 LYS 73 far 0 71 0 - 7.6-12.7 HE3 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.8-11.5 HE2 LYS 94 - HB3 LYS 20 far 0 100 0 - 7.8-15.6 HE2 LYS 68 - HB2 LYS 73 far 0 75 0 - 8.2-12.4 HE3 LYS 94 - HB3 LYS 20 far 0 100 0 - 8.3-15.2 HE3 LYS 90 - HB3 LYS 24 far 0 45 0 - 8.8-12.4 HE3 LYS 66 - HB3 LYS 73 far 0 73 0 - 8.8-13.9 HE3 LYS 68 - HB2 LYS 73 far 0 74 0 - 9.0-12.8 HE2 LYS 66 - HB2 LYS 73 far 0 65 0 - 9.2-11.6 HE2 LYS 20 - HB2 LYS 94 far 0 96 0 - 9.2-14.8 HE3 LYS 90 - HB2 LYS 24 far 0 45 0 - 9.3-12.7 HE2 LYS 68 - HB3 LYS 73 far 0 77 0 - 9.6-13.8 HE3 LYS 20 - HB2 LYS 94 far 0 96 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 881 from cnoeabs.peaks (7.68, 1.93, 32.22 ppm; 3.61 A): 3 out of 13 assignments used, quality = 1.00: * H MET 21 + HB3 LYS 20 OK 100 100 100 100 2.3-4.0 6325=100, 6324/1.8=72...(11) H ALA 25 + HB2 LYS 24 OK 41 42 100 97 3.1-4.3 4.4=56, 6400/1.8=39...(15) H ALA 25 + HB3 LYS 24 OK 40 42 100 96 3.1-4.3 4.4=56, 6391/4.0=38...(15) HD22 ASN 51 - HB2 MET 1 far 3 56 5 - 4.5-7.5 H MET 21 - HB3 LYS 24 far 0 58 0 - 4.6-7.6 H MET 21 - HB2 LYS 24 far 0 58 0 - 5.2-7.7 H GLU 98 - HB2 LYS 94 far 0 71 0 - 5.5-7.1 H MET 21 - HB2 LYS 94 far 0 96 0 - 6.3-8.8 H ALA 25 - HB2 LYS 94 far 0 76 0 - 6.5-7.9 H ALA 25 - HB3 LYS 20 far 0 84 0 - 7.5-8.5 H GLU 98 - HB3 LYS 24 far 0 39 0 - 8.6-11.3 H GLU 98 - HB2 LYS 24 far 0 39 0 - 8.7-12.3 H GLU 98 - HB2 MET 1 far 0 37 0 - 8.8-12.2 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 8 assignments used, quality = 1.00: * H LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.9-4.0 6309=100, 893/1.8=81...(22) H VAL 78 - HG3 LYS 53 far 0 53 0 - 5.8-9.1 H VAL 78 - HG2 LYS 53 far 0 57 0 - 6.4-7.8 H SER 9 - HG2 LYS 12 far 0 82 0 - 7.4-9.4 H GLU 99 - HG3 LYS 53 far 0 94 0 - 8.3-11.3 H GLU 28 - HG3 LYS 53 far 0 93 0 - 9.4-12.3 H GLU 99 - HG2 LYS 53 far 0 97 0 - 9.6-11.8 H LYS 20 - HG2 LYS 12 far 0 93 0 - 10.0-12.2 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 11 assignments used, quality = 1.00: * HA LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.2-3.6 3.7=92, 2.9/6309=53...(73) HA GLU 16 + HG2 LYS 20 OK 27 100 35 76 3.6-6.3 3.0/10462=19...(17) HA GLU 17 + HG2 LYS 20 OK 25 100 35 71 2.6-6.0 732/6309=21, 894/1.8=17...(18) HA GLU 16 - HG2 LYS 12 far 0 91 0 - 6.4-8.5 HB2 SER 49 - HG2 LYS 53 far 0 97 0 - 7.7-10.8 HA PRO 86 - HG2 LYS 13 far 0 31 0 - 8.4-9.5 HB2 SER 49 - HG3 LYS 53 far 0 93 0 - 8.4-12.0 HA GLU 17 - HG2 LYS 13 far 0 62 0 - 8.7-10.1 HA GLU 16 - HG2 LYS 13 far 0 61 0 - 8.8-9.8 HA PRO 86 - HG2 LYS 20 far 0 61 0 - 8.9-12.8 HA ARG 46 - HG2 LYS 53 far 0 84 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 884 from cnoeabs.peaks (1.89, 1.46, 25.11 ppm; 3.07 A): 5 out of 22 assignments used, quality = 1.00: * HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 77 77 100 100 2.6-3.0 3.0=100 HB2 LYS 12 + HG2 LYS 12 OK 74 74 100 100 2.2-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 47 47 100 100 2.3-3.0 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 44 44 100 100 2.3-3.0 3.0=100 HB2 ARG 19 - HG2 LYS 20 far 0 100 0 - 4.0-7.1 HB3 LYS 12 - HG2 LYS 13 far 0 49 0 - 4.1-6.5 HB2 LYS 12 - HG2 LYS 13 far 0 47 0 - 4.9-7.7 HB3 LEU 14 - HG2 LYS 13 far 0 58 0 - 6.2-7.6 HB2 LYS 13 - HG2 LYS 12 far 0 71 0 - 6.3-8.0 HB VAL 54 - HG3 LYS 53 far 0 93 0 - 6.9-8.4 HB VAL 54 - HG2 LYS 53 far 0 97 0 - 7.1-7.8 HB3 LEU 14 - HG2 LYS 12 far 0 88 0 - 7.1-8.4 HB3 LYS 13 - HG2 LYS 12 far 0 74 0 - 7.1-8.4 HB3 LYS 33 - HG2 LYS 12 far 0 73 0 - 8.4-12.1 HB2 LYS 94 - HG2 LYS 20 far 0 71 0 - 8.6-12.8 HB2 ARG 19 - HG2 LYS 12 far 0 92 0 - 8.8-12.0 HB2 LYS 33 - HG2 LYS 12 far 0 70 0 - 8.9-12.2 HB3 LYS 13 - HG2 LYS 20 far 0 85 0 - 9.1-11.8 HB2 LYS 12 - HG2 LYS 20 far 0 85 0 - 9.3-11.3 HB3 GLU 104 - HG2 LYS 53 far 0 88 0 - 9.7-18.2 HB2 LYS 13 - HG2 LYS 20 far 0 82 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 885 from cnoeabs.peaks (1.93, 1.46, 25.11 ppm; 3.20 A): 4 out of 20 assignments used, quality = 1.00: * HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 54 54 100 100 2.3-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 52 52 100 100 2.3-3.0 3.0=100 HB3 ARG 19 + HG2 LYS 20 OK 27 100 50 55 3.1-7.0 4.1/6309=30, 798/3.7=14...(6) HB2 GLU 17 - HG2 LYS 20 far 0 100 0 - 4.6-8.5 HB2 LYS 24 - HG2 LYS 20 far 0 81 0 - 5.7-9.8 HB2 MET 1 - HG3 LYS 53 far 0 92 0 - 5.7-9.6 HB3 LYS 24 - HG2 LYS 20 far 0 81 0 - 5.9-10.0 HB3 LEU 14 - HG2 LYS 13 far 0 39 0 - 6.2-7.6 HB2 LYS 13 - HG2 LYS 12 far 0 83 0 - 6.3-8.0 HB3 LEU 14 - HG2 LYS 12 far 0 63 0 - 7.1-8.4 HB3 LYS 13 - HG2 LYS 12 far 0 81 0 - 7.1-8.4 HB2 MET 1 - HG2 LYS 53 far 0 96 0 - 7.2-8.7 HB3 ARG 19 - HG2 LYS 12 far 0 92 0 - 8.1-10.8 HB3 LYS 33 - HG2 LYS 12 far 0 82 0 - 8.4-12.1 HB2 GLU 17 - HG2 LYS 13 far 0 61 0 - 8.4-10.1 HB2 LYS 94 - HG2 LYS 20 far 0 98 0 - 8.6-12.8 HB2 LYS 33 - HG2 LYS 12 far 0 84 0 - 8.9-12.2 HB3 LYS 13 - HG2 LYS 20 far 0 92 0 - 9.1-11.8 HB2 LYS 13 - HG2 LYS 20 far 0 94 0 - 9.9-12.9 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 37 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 2.2-2.9 2.8=61, 5.3/848=8...(58) HD3 LYS 20 + HG2 LYS 20 OK 90 100 100 90 2.3-3.0 2.8=61, 5.3/848=8...(58) HB3 LYS 53 + HG2 LYS 53 OK 88 95 100 93 2.5-3.0 3.0=54, 2451/3.0=27...(27) HB3 LYS 53 + HG3 LYS 53 OK 85 90 100 93 2.2-3.0 3.0=54, 2451/3.0=27...(28) HD3 LYS 12 + HG2 LYS 12 OK 69 73 100 95 2.3-3.0 3.0=53, 3.0/463=22...(56) HD2 LYS 12 + HG2 LYS 12 OK 69 73 100 95 2.4-3.0 3.0=53, 3.0/463=22...(56) HD2 LYS 13 + HG2 LYS 13 OK 41 46 100 91 2.3-3.0 3.0=55, 2.9/474=8...(56) HD3 LYS 13 + HG2 LYS 13 OK 39 43 100 91 2.5-3.0 3.0=55, 2.9/474=8...(56) HG12 ILE 15 - HG2 LYS 12 far 0 82 0 - 4.6-6.6 HB ILE 52 - HG2 LYS 53 far 0 97 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 54 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 70 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 73 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 93 0 - 6.0-7.4 HD3 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 6.1-12.4 HB3 ARG 79 - HG3 LYS 53 far 0 82 0 - 6.1-10.7 HD2 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.8-10.0 HB3 ARG 79 - HG2 LYS 53 far 0 87 0 - 7.0-10.0 HB2 LEU 2 - HG3 LYS 53 far 0 72 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 53 far 0 77 0 - 8.1-9.3 HB ILE 76 - HG2 LYS 53 far 0 72 0 - 8.4-10.1 HD3 LYS 13 - HG2 LYS 20 far 0 81 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 92 0 - 8.8-13.1 HB ILE 76 - HG3 LYS 53 far 0 67 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 84 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 53 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 93 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 50 0 - 9.9-14.9 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 37 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 2.2-2.9 2.8=61, 5.3/848=8...(58) HD3 LYS 20 + HG2 LYS 20 OK 90 100 100 90 2.3-3.0 2.8=61, 5.3/848=8...(58) HB3 LYS 53 + HG2 LYS 53 OK 89 96 100 93 2.5-3.0 3.0=54, 2451/3.0=27...(27) HB3 LYS 53 + HG3 LYS 53 OK 85 92 100 93 2.2-3.0 3.0=54, 2451/3.0=27...(27) HD3 LYS 12 + HG2 LYS 12 OK 73 77 100 95 2.3-3.0 3.0=53, 3.0/463=22...(57) HD2 LYS 12 + HG2 LYS 12 OK 73 77 100 95 2.4-3.0 3.0=53, 3.0/463=22...(56) HD2 LYS 13 + HG2 LYS 13 OK 45 49 100 91 2.3-3.0 3.0=55, 2.9/474=8...(56) HD3 LYS 13 + HG2 LYS 13 OK 43 47 100 91 2.5-3.0 3.0=55, 2.9/474=8...(56) HG12 ILE 15 - HG2 LYS 12 far 0 85 0 - 4.6-6.6 HB ILE 52 - HG2 LYS 53 far 0 96 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 93 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 56 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 74 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 94 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 77 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 92 0 - 6.0-7.4 HD3 LYS 12 - HG2 LYS 13 far 0 49 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 93 0 - 6.1-12.4 HB3 ARG 79 - HG3 LYS 53 far 0 78 0 - 6.1-10.7 HD2 LYS 12 - HG2 LYS 13 far 0 49 0 - 6.8-10.0 HB3 ARG 79 - HG2 LYS 53 far 0 83 0 - 7.0-10.0 HB2 LEU 2 - HG3 LYS 53 far 0 77 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 53 far 0 82 0 - 8.1-9.3 HB ILE 76 - HG2 LYS 53 far 0 66 0 - 8.4-10.1 HD3 LYS 13 - HG2 LYS 20 far 0 85 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 93 0 - 8.8-13.1 HB ILE 76 - HG3 LYS 53 far 0 62 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 88 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 88 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 56 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 88 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 92 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 96 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 53 0 - 9.9-14.9 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 37 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 2.2-2.9 2.8=61, 5.3/848=8...(58) * HD3 LYS 20 + HG2 LYS 20 OK 90 100 100 90 2.3-3.0 2.8=61, 5.3/848=8...(58) HB3 LYS 53 + HG2 LYS 53 OK 88 95 100 93 2.5-3.0 3.0=54, 2451/3.0=27...(27) HB3 LYS 53 + HG3 LYS 53 OK 85 90 100 93 2.2-3.0 3.0=54, 2451/3.0=27...(28) HD3 LYS 12 + HG2 LYS 12 OK 69 73 100 95 2.3-3.0 3.0=53, 3.0/463=22...(56) HD2 LYS 12 + HG2 LYS 12 OK 69 73 100 95 2.4-3.0 3.0=53, 3.0/463=22...(56) HD2 LYS 13 + HG2 LYS 13 OK 41 46 100 91 2.3-3.0 3.0=55, 2.9/474=8...(56) HD3 LYS 13 + HG2 LYS 13 OK 39 43 100 91 2.5-3.0 3.0=55, 2.9/474=8...(56) HG12 ILE 15 - HG2 LYS 12 far 0 82 0 - 4.6-6.6 HB ILE 52 - HG2 LYS 53 far 0 97 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 5.3-9.6 HG2 PRO 86 - HG2 LYS 13 far 0 54 0 - 5.6-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 70 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 73 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 93 0 - 6.0-7.4 HD3 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.1-9.8 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 6.1-12.4 HB3 ARG 79 - HG3 LYS 53 far 0 82 0 - 6.1-10.7 HD2 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.8-10.0 HB3 ARG 79 - HG2 LYS 53 far 0 87 0 - 7.0-10.0 HB2 LEU 2 - HG3 LYS 53 far 0 72 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 53 far 0 77 0 - 8.1-9.3 HB ILE 76 - HG2 LYS 53 far 0 72 0 - 8.4-10.1 HD3 LYS 13 - HG2 LYS 20 far 0 81 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 92 0 - 8.8-13.1 HB ILE 76 - HG3 LYS 53 far 0 67 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.0-12.9 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.0-13.6 HD3 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 84 0 - 9.1-12.9 HG12 ILE 15 - HG2 LYS 13 far 0 53 0 - 9.5-11.0 HD2 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.5-14.5 HD3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 93 0 - 9.8-12.6 HD3 LYS 90 - HG2 LYS 13 far 0 50 0 - 9.9-14.9 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 12 assignments used, quality = 1.00: * HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.0-4.1 3.6=100 HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-4.2 3.6=100 HB2 ASN 51 - HG3 LYS 53 far 3 60 5 - 4.8-7.3 HB2 ASN 51 - HG2 LYS 53 far 0 64 0 - 4.9-5.9 HG2 MET 21 - HG2 LYS 20 far 0 81 0 - 5.0-8.5 HE3 LYS 90 - HG2 LYS 20 far 0 87 0 - 5.3-12.7 HB2 ASN 10 - HG2 LYS 12 far 0 85 0 - 6.8-10.1 HB2 ASN 10 - HG2 LYS 13 far 0 56 0 - 8.3-11.9 HE2 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.8-13.6 HE2 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.2-14.8 HE3 LYS 90 - HG2 LYS 13 far 0 48 0 - 9.3-13.8 HE3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 891 from cnoeabs.peaks (2.91, 1.46, 25.11 ppm; 4.03 A): 2 out of 12 assignments used, quality = 1.00: HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.0-4.1 3.6=100 * HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-4.2 3.6=100 HB2 ASN 51 - HG3 LYS 53 far 3 62 5 - 4.8-7.3 HB2 ASN 51 - HG2 LYS 53 far 0 66 0 - 4.9-5.9 HG2 MET 21 - HG2 LYS 20 far 0 82 0 - 5.0-8.5 HE3 LYS 90 - HG2 LYS 20 far 0 88 0 - 5.3-12.7 HB2 ASN 10 - HG2 LYS 12 far 0 86 0 - 6.8-10.1 HB2 ASN 10 - HG2 LYS 13 far 0 56 0 - 8.3-11.9 HE2 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.8-13.6 HE2 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.2-14.8 HE3 LYS 90 - HG2 LYS 13 far 0 49 0 - 9.3-13.8 HE3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 892 from cnoeabs.peaks (7.68, 1.46, 25.11 ppm; 6.11 A): 2 out of 5 assignments used, quality = 1.00: * H MET 21 + HG2 LYS 20 OK 100 100 100 100 1.9-5.2 6325/3.0=100...(17) HD22 ASN 51 + HG2 LYS 53 OK 21 97 30 73 5.7-8.6 6838/9106=56...(5) HD22 ASN 51 - HG3 LYS 53 poor 8 94 25 36 6.0-10.0 8036/8023=24...(4) H ALA 25 - HG2 LYS 20 far 0 84 0 - 8.0-9.6 H GLU 98 - HG3 LYS 53 far 0 69 0 - 9.8-12.3 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 1.9-4.1 6309/1.8=80, 871/3.0=68...(20) Violated in 3 structures by 0.02 A. Peak 894 from cnoeabs.peaks (4.05, 1.67, 25.11 ppm; 3.93 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.6-4.0 3.7=100 HA GLU 17 + HG3 LYS 20 OK 45 100 60 75 2.5-5.8 732/893=24, 734/3.0=20...(17) HA GLU 16 + HG3 LYS 20 OK 22 100 30 74 3.5-7.1 6306/893=20, 883/1.8=15...(13) HA PRO 86 - HG3 LYS 20 far 0 61 0 - 9.7-13.4 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 7 assignments used, quality = 1.00: * HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 19 - HG3 LYS 20 far 15 100 15 - 4.3-7.7 HB2 LYS 94 - HG3 LYS 20 far 0 71 0 - 8.1-12.7 HB3 LYS 13 - HG3 LYS 20 far 0 85 0 - 8.3-11.9 HB2 LYS 12 - HG3 LYS 20 far 0 85 0 - 8.7-12.4 HB2 LYS 13 - HG3 LYS 20 far 0 82 0 - 9.4-13.0 HB3 LEU 14 - HG3 LYS 20 far 0 98 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 896 from cnoeabs.peaks (1.93, 1.67, 25.11 ppm; 3.76 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 19 - HG3 LYS 20 far 15 100 15 - 3.2-7.3 HB2 GLU 17 - HG3 LYS 20 far 0 100 0 - 4.8-8.1 HB3 LYS 24 - HG3 LYS 20 far 0 81 0 - 5.1-9.7 HB2 LYS 24 - HG3 LYS 20 far 0 81 0 - 6.5-10.1 HB2 LYS 94 - HG3 LYS 20 far 0 98 0 - 8.1-12.7 HB3 LYS 13 - HG3 LYS 20 far 0 92 0 - 8.3-11.9 HB2 LYS 13 - HG3 LYS 20 far 0 94 0 - 9.4-13.0 HB3 LEU 14 - HG3 LYS 20 far 0 73 0 - 10.0-13.3 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 3 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 - 6.4-7.8 HG LEU 29 - HG3 LYS 20 far 0 90 0 - 9.1-11.9 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 2.1-4.2 3.6=100 HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-4.1 3.6=100 HG2 MET 21 - HG3 LYS 20 far 4 81 5 - 5.0-9.1 HE3 LYS 90 - HG3 LYS 20 far 0 87 0 - 5.1-12.5 HE3 LYS 94 - HG3 LYS 20 far 0 100 0 - 9.5-16.2 HE2 LYS 94 - HG3 LYS 20 far 0 99 0 - 9.7-16.3 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 2.2-4.1 3.6=100 HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.1-4.2 3.6=100 HG2 MET 21 - HG3 LYS 20 far 4 82 5 - 5.0-9.1 HE3 LYS 90 - HG3 LYS 20 far 0 88 0 - 5.1-12.5 HE3 LYS 94 - HG3 LYS 20 far 0 100 0 - 9.5-16.2 HE2 LYS 94 - HG3 LYS 20 far 0 100 0 - 9.7-16.3 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 2.7-5.4 6325/3.0=99, 6324/3.0=98...(16) H ALA 25 - HG3 LYS 20 far 0 84 0 - 7.8-10.0 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 1.9-4.6 6309/2.8=70, 893/2.8=66...(27) H LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-4.7 6309/2.8=70, 893/2.8=66...(27) H SER 9 + HG12 ILE 15 OK 57 64 100 89 3.9-4.9 8436/2.1=57...(9) H LYS 66 - HD3 LYS 68 far 2 40 5 - 4.9-8.8 H LYS 66 - HD2 LYS 68 far 0 42 0 - 5.4-8.4 H LYS 20 - HD3 LYS 24 far 0 60 0 - 5.8-10.2 H LYS 20 - HD3 LYS 90 far 0 67 0 - 5.9-10.6 H LYS 20 - HD2 LYS 24 far 0 62 0 - 6.1-9.7 H SER 9 - HD2 LYS 12 far 0 62 0 - 6.5-10.8 H VAL 78 - HD3 LYS 68 far 0 20 0 - 6.8-11.9 H TYR 41 - HD2 LYS 39 far 0 44 0 - 7.1-8.9 H VAL 78 - HD2 LYS 68 far 0 21 0 - 7.3-12.5 H SER 9 - HD3 LYS 12 far 0 62 0 - 7.5-11.0 H LYS 66 - HD3 LYS 73 far 0 68 0 - 8.4-12.9 H LYS 20 - HG12 ILE 15 far 0 74 0 - 8.4-9.8 HE ARG 30 - HG12 ILE 15 far 0 74 0 - 8.5-12.4 H LYS 20 - HD2 LYS 13 far 0 57 0 - 8.6-12.7 H LYS 20 - HD3 LYS 13 far 0 53 0 - 8.9-12.6 H LYS 66 - HD2 LYS 73 far 0 70 0 - 8.9-13.1 H LYS 20 - HD2 LYS 12 far 0 73 0 - 9.0-14.1 H LYS 20 - HD3 LYS 12 far 0 73 0 - 9.1-13.8 H TYR 41 - HD3 LYS 47 far 0 72 0 - 9.6-13.3 HE ARG 30 - HD2 LYS 47 far 0 99 0 - 9.7-15.7 H TYR 41 - HD2 LYS 47 far 0 73 0 - 9.7-13.7 HE ARG 30 - HD3 LYS 47 far 0 99 0 - 9.8-15.2 HE ARG 30 - HD3 LYS 12 far 0 72 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 905 from cnoeabs.peaks (4.05, 1.68, 29.19 ppm; 3.74 A): 7 out of 48 assignments used, quality = 1.00: HA LYS 20 + HD3 LYS 20 OK 80 100 80 100 2.2-5.4 848/2.8=56, 5.3=36...(99) * HA LYS 20 + HD2 LYS 20 OK 60 100 60 100 2.4-5.1 848/2.8=56, 5.3=36...(99) HA GLU 16 + HD2 LYS 20 OK 58 100 75 78 3.4-6.5 3.0/12146=21, ~12146=12...(19) HA GLU 17 + HD2 LYS 20 OK 56 100 80 70 2.0-5.6 734/3.5=16, 894/2.8=15...(21) HA GLU 16 + HD3 LYS 20 OK 47 99 60 78 3.3-6.9 3.0/12145=18, ~12146=14...(19) HA GLU 17 + HD3 LYS 20 OK 46 100 65 70 2.0-6.2 734/3.5=16, 894/2.8=15...(21) HA LEU 70 + HD2 LYS 73 OK 24 46 65 79 2.3-5.9 10813/3.0=28, ~10819=18...(12) HA LEU 70 - HD3 LYS 73 poor 17 44 50 78 2.0-6.0 10813/3.0=28, ~10819=18...(12) HA LEU 70 - HD2 LYS 39 poor 17 42 40 - 3.6-7.0 HA LYS 20 - HD3 LYS 24 far 9 60 15 - 3.8-8.3 HA GLU 17 - HD3 LYS 90 far 7 67 10 - 4.1-8.0 HA PRO 86 - HD3 LYS 90 far 5 34 15 - 4.0-7.2 HA LYS 20 - HD2 LYS 24 far 3 62 5 - 3.5-7.7 HA GLU 16 - HD2 LYS 12 far 0 71 0 - 5.2-9.3 HA GLU 16 - HD3 LYS 12 far 0 71 0 - 5.5-9.3 HA LYS 66 - HD3 LYS 73 far 0 52 0 - 5.7-10.2 HA GLU 17 - HD2 LYS 13 far 0 57 0 - 5.9-9.8 HA LYS 66 - HD2 LYS 68 far 0 32 0 - 6.0-8.2 HA LYS 66 - HD2 LYS 73 far 0 54 0 - 6.1-10.6 HA GLU 16 - HG12 ILE 15 far 0 73 0 - 6.2-6.5 HA LYS 66 - HD3 LYS 68 far 0 30 0 - 6.3-9.1 HA ARG 46 - HD2 LYS 47 far 0 87 0 - 6.4-8.0 HA GLU 17 - HD3 LYS 13 far 0 53 0 - 6.5-10.2 HA GLU 16 - HD3 LYS 13 far 0 52 0 - 6.5-9.7 HA ARG 46 - HD3 LYS 47 far 0 87 0 - 6.5-7.9 HA GLU 16 - HD2 LYS 13 far 0 56 0 - 6.5-10.3 HA GLU 95 - HB3 ARG 91 far 0 76 0 - 6.7-9.1 HA PRO 86 - HD2 LYS 13 far 0 28 0 - 6.9-10.1 HA GLU 16 - HD3 LYS 90 far 0 66 0 - 7.5-12.2 HA PRO 86 - HB3 ARG 91 far 0 58 0 - 7.6-9.7 HA LYS 20 - HD3 LYS 90 far 0 67 0 - 7.7-11.8 HB2 SER 49 - HD2 LYS 47 far 0 98 0 - 7.9-11.6 HA GLU 17 - HD3 LYS 24 far 0 60 0 - 7.9-11.7 HA LEU 70 - HD2 LYS 68 far 0 26 0 - 8.0-10.1 HA LYS 66 - HD2 LYS 39 far 0 50 0 - 8.1-10.4 HA PRO 86 - HD3 LYS 20 far 0 61 0 - 8.4-12.7 HA PRO 86 - HD3 LYS 13 far 0 26 0 - 8.5-11.0 HB3 SER 59 - HG12 ILE 15 far 0 68 0 - 8.5-10.1 HA PRO 86 - HG12 ILE 15 far 0 38 0 - 8.6-9.8 HB2 SER 49 - HD3 LYS 47 far 0 98 0 - 8.9-11.0 HA GLU 17 - HD2 LYS 24 far 0 62 0 - 8.9-12.0 HA PRO 86 - HD2 LYS 20 far 0 61 0 - 9.0-11.9 HA GLU 17 - HD2 LYS 12 far 0 73 0 - 9.1-13.2 HA LEU 70 - HD3 LYS 68 far 0 25 0 - 9.2-10.7 HA GLU 95 - HD3 LYS 90 far 0 46 0 - 9.3-13.3 HA GLU 17 - HD3 LYS 12 far 0 73 0 - 9.3-13.2 HA GLU 17 - HG12 ILE 15 far 0 74 0 - 9.4-9.9 HA GLU 17 - HB3 ARG 91 far 0 99 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 906 from cnoeabs.peaks (1.89, 1.68, 29.19 ppm; 3.11 A): 15 out of 90 assignments used, quality = 1.00: * HB2 LYS 20 + HD2 LYS 20 OK 89 100 90 98 2.4-4.1 3.5=68, ~848=13...(60) HB2 LYS 20 + HD3 LYS 20 OK 83 100 85 98 2.3-4.2 3.5=68, 1.8/2152=13...(60) HB3 LYS 47 + HD2 LYS 47 OK 64 65 100 99 2.0-3.7 3.9=49, 4.0/6774=14...(111) HB3 LYS 12 + HD2 LYS 12 OK 58 58 100 100 2.5-3.9 3.6=65, ~463=14, ~464=14...(73) HB2 LYS 12 + HD3 LYS 12 OK 55 55 100 99 2.1-3.7 3.6=65, ~463=14, ~464=14...(73) HB2 LYS 12 + HD2 LYS 12 OK 55 55 100 99 2.1-4.0 3.6=65, ~463=14, ~464=14...(73) HB3 LYS 12 + HD3 LYS 12 OK 49 58 85 100 2.1-4.2 3.6=65, ~463=14, ~464=14...(73) HB3 LYS 39 + HD2 LYS 39 OK 49 49 100 99 2.0-3.8 3.6=65, 1.8/1686=26...(41) HB3 LYS 47 + HD3 LYS 47 OK 48 65 75 99 2.3-4.2 3.9=49, 4.0/6774=13...(114) HB3 LYS 13 + HD2 LYS 13 OK 42 43 100 99 2.0-3.8 3.6=65, 3.0/487=17...(83) HB2 LYS 13 + HD2 LYS 13 OK 40 40 100 99 2.4-3.7 3.6=65, 3.0/487=17...(85) HB3 LYS 13 + HD3 LYS 13 OK 39 39 100 99 2.4-3.7 3.6=65, 3.0/487=17...(83) HB3 LYS 68 + HD2 LYS 68 OK 37 38 100 99 2.1-3.9 3.5=70, ~3055=14...(74) HB3 LYS 68 + HD3 LYS 68 OK 32 36 90 99 2.3-4.1 3.5=70, ~3033=14...(75) HB2 LYS 13 + HD3 LYS 13 OK 30 37 80 99 2.4-4.2 3.6=65, 3.0/487=17...(85) HB3 LYS 12 - HD3 LYS 13 poor 14 41 35 - 3.4-7.1 HB2 ARG 19 - HD3 LYS 20 far 10 100 10 - 3.3-7.4 HB2 LYS 12 - HD3 LYS 13 poor 10 39 25 - 3.5-7.6 HB2 LYS 20 - HD3 LYS 24 far 9 60 15 - 2.9-7.7 HB2 ARG 19 - HD2 LYS 20 far 5 100 5 - 3.3-7.2 HB3 LYS 12 - HD2 LYS 13 far 4 45 10 - 3.0-7.0 HB2 LYS 12 - HD2 LYS 13 far 4 43 10 - 3.7-7.8 HB2 LYS 20 - HD2 LYS 24 far 3 62 5 - 3.7-7.3 HB3 LEU 14 - HG12 ILE 15 far 0 69 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 93 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 92 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 68 0 - 5.3-7.8 HB2 LYS 94 - HD3 LYS 90 far 0 41 0 - 5.4-10.9 HB3 LYS 39 - HD3 LYS 73 far 0 51 0 - 5.7-12.1 HB2 LYS 12 - HG12 ILE 15 far 0 57 0 - 5.8-7.3 HB2 ARG 19 - HG12 ILE 15 far 0 74 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 53 0 - 6.2-8.6 HB3 LYS 12 - HG12 ILE 15 far 0 59 0 - 6.6-7.9 HB3 LEU 14 - HD2 LYS 12 far 0 68 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 49 0 - 6.7-8.7 HB3 LYS 66 - HD3 LYS 68 far 0 29 0 - 6.9-10.0 HB2 ARG 19 - HD3 LYS 12 far 0 72 0 - 7.0-12.9 HB2 LYS 20 - HD3 LYS 90 far 0 67 0 - 7.0-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 53 0 - 7.0-9.3 HG LEU 42 - HD2 LYS 39 far 0 67 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.2-10.0 HB ILE 8 - HG12 ILE 15 far 0 73 0 - 7.3-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 53 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 68 0 - 7.3-9.8 HB3 LYS 39 - HD2 LYS 73 far 0 53 0 - 7.4-12.1 HB3 LYS 66 - HD2 LYS 68 far 0 30 0 - 7.6-9.7 HB3 LYS 13 - HD3 LYS 90 far 0 51 0 - 7.6-12.8 HB2 ARG 19 - HD2 LYS 24 far 0 61 0 - 7.6-12.3 HB3 LEU 14 - HD3 LYS 90 far 0 62 0 - 7.7-12.0 HB3 LYS 13 - HD3 LYS 12 far 0 55 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 36 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 85 0 - 7.8-11.6 HB2 LYS 94 - HD2 LYS 24 far 0 37 0 - 7.8-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 53 0 - 7.8-10.2 HB3 LYS 33 - HG12 ILE 15 far 0 55 0 - 7.9-10.3 HB3 LYS 13 - HD2 LYS 20 far 0 85 0 - 7.9-10.9 HB2 LYS 12 - HD3 LYS 20 far 0 85 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 85 0 - 8.0-11.1 HB2 ARG 19 - HD3 LYS 24 far 0 60 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 72 0 - 8.1-12.9 HB2 LYS 13 - HD3 LYS 90 far 0 48 0 - 8.1-14.5 HB3 LYS 13 - HD2 LYS 12 far 0 55 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 82 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 54 0 - 8.3-13.6 HB2 ARG 19 - HD3 LYS 90 far 0 67 0 - 8.3-13.2 HB3 LYS 66 - HD3 LYS 73 far 0 50 0 - 8.4-12.7 HB3 LYS 66 - HD2 LYS 73 far 0 52 0 - 8.4-13.2 HB2 LYS 13 - HG12 ILE 15 far 0 54 0 - 8.4-9.6 HB2 LYS 33 - HD2 LYS 12 far 0 51 0 - 8.5-13.1 HG LEU 42 - HD3 LYS 73 far 0 69 0 - 8.6-13.4 HB2 LYS 13 - HD2 LYS 20 far 0 82 0 - 8.6-11.8 HB3 LYS 66 - HD2 LYS 39 far 0 48 0 - 8.7-11.3 HB3 LYS 68 - HD2 LYS 73 far 0 64 0 - 8.7-12.6 HB3 LYS 13 - HG12 ILE 15 far 0 57 0 - 8.7-9.8 HB3 LYS 33 - HD3 LYS 12 far 0 54 0 - 8.9-13.0 HG LEU 42 - HD2 LYS 73 far 0 72 0 - 8.9-13.2 HB2 LYS 33 - HD3 LYS 12 far 0 51 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 97 0 - 9.2-13.6 HB VAL 5 - HG12 ILE 15 far 0 53 0 - 9.3-11.3 HB3 LYS 68 - HD3 LYS 73 far 0 62 0 - 9.3-13.0 HB3 LYS 12 - HD3 LYS 20 far 0 88 0 - 9.4-12.5 HB VAL 54 - HD3 LYS 68 far 0 42 0 - 9.4-13.4 HB3 LEU 14 - HD2 LYS 20 far 0 98 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 57 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 53 0 - 9.5-14.4 HB3 LYS 12 - HD2 LYS 20 far 0 88 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 35 0 - 9.6-24.5 HB2 LYS 20 - HD2 LYS 13 far 0 57 0 - 9.6-14.1 HB VAL 5 - HD3 LYS 90 far 0 47 0 - 9.7-14.0 HB2 GLU 43 - HD2 LYS 73 far 0 65 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 907 from cnoeabs.peaks (1.93, 1.68, 29.19 ppm; 3.09 A): 18 out of 100 assignments used, quality = 1.00: HB3 LYS 20 + HD3 LYS 20 OK 98 100 100 98 2.0-3.7 3.5=67, 871/6311=15...(65) HB3 LYS 47 + HD2 LYS 47 OK 96 97 100 99 2.0-3.7 3.9=48, 2146/6774=16...(111) * HB3 LYS 20 + HD2 LYS 20 OK 89 100 90 98 2.0-4.2 3.5=67, 871/5.9=14...(65) HB3 LYS 47 + HD3 LYS 47 OK 72 97 75 99 2.3-4.2 3.9=48, 2146/6774=15...(114) HB2 LYS 47 + HD2 LYS 47 OK 66 67 100 99 2.2-3.8 3.9=48, 1.8/2153=15...(100) HB2 LYS 47 + HD3 LYS 47 OK 66 67 100 99 3.1-4.0 3.9=48, 1.8/2153=13...(103) HB3 LYS 73 + HD2 LYS 73 OK 59 59 100 99 2.1-3.5 3.6=64, 3.0/3233=17...(121) HB3 LYS 73 + HD3 LYS 73 OK 57 57 100 100 2.0-3.8 3.6=64, 3.0/3234=20...(121) HB2 LYS 73 + HD2 LYS 73 OK 52 58 90 100 2.3-4.2 3.6=64, 3.0/3233=17...(125) HB2 LYS 13 + HD2 LYS 13 OK 49 49 100 99 2.4-3.7 3.6=64, 3.0/487=17...(85) HB3 LYS 13 + HD2 LYS 13 OK 47 47 100 99 2.0-3.8 3.6=64, 3.0/487=17...(83) HB2 LYS 73 + HD3 LYS 73 OK 45 56 80 100 2.8-4.2 3.6=64, 3.0/3234=20...(125) HB3 LYS 13 + HD3 LYS 13 OK 43 44 100 99 2.4-3.7 3.6=64, 3.0/487=17...(83) HB3 LYS 24 + HD2 LYS 24 OK 42 43 100 99 2.5-3.9 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD2 LYS 24 OK 42 43 100 99 2.5-3.8 3.6=65, ~1096=14...(107) HB2 LYS 13 + HD3 LYS 13 OK 36 45 80 99 2.4-4.2 3.6=64, 3.0/487=17...(85) HB2 LYS 24 + HD3 LYS 24 OK 31 41 75 99 2.4-4.2 3.6=65, ~1096=14...(109) HB3 LYS 24 + HD3 LYS 24 OK 27 41 65 99 2.1-4.2 3.6=65, ~1096=14...(109) HB2 GLU 17 - HD3 LYS 90 poor 16 66 25 - 2.0-6.2 HB3 ARG 19 - HD3 LYS 20 far 15 100 15 - 2.9-8.1 HB3 ARG 19 - HD2 LYS 20 poor 6 100 25 24 2.8-7.4 4.1/915=10, 798/5.3=8...(4) HB3 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 99 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 100 0 - 4.3-8.1 HB3 LYS 73 - HD2 LYS 39 far 0 55 0 - 4.4-9.0 HB2 LYS 73 - HD2 LYS 39 far 0 54 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 52 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.0-8.4 HB3 LEU 14 - HG12 ILE 15 far 0 47 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 78 0 - 5.1-9.7 HB3 ARG 46 - HD3 LYS 47 far 0 82 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 83 0 - 5.2-8.3 HB2 GLU 43 - HD3 LYS 47 far 0 78 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 96 0 - 5.3-7.8 HB2 LYS 94 - HD3 LYS 90 far 0 63 0 - 5.4-10.9 HB3 MET 74 - HD2 LYS 39 far 0 48 0 - 5.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 97 0 - 5.5-8.2 HB3 LYS 20 - HD3 LYS 90 far 0 67 0 - 5.5-10.1 HB3 MET 74 - HD3 LYS 73 far 0 50 0 - 5.5-9.5 HB3 ARG 19 - HG12 ILE 15 far 0 74 0 - 5.6-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 56 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 35 0 - 6.2-8.6 HB2 LYS 24 - HD3 LYS 20 far 0 80 0 - 6.5-11.0 HB3 LEU 14 - HD2 LYS 12 far 0 46 0 - 6.6-10.3 HB VAL 32 - HG12 ILE 15 far 0 73 0 - 6.6-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 32 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 52 0 - 6.9-10.7 HG3 GLU 88 - HD3 LYS 90 far 0 65 0 - 7.0-10.1 HB2 LYS 13 - HD3 LYS 12 far 0 63 0 - 7.0-9.3 HB3 LYS 24 - HD3 LYS 20 far 0 80 0 - 7.1-11.4 HB3 ARG 19 - HD3 LYS 90 far 0 66 0 - 7.2-13.1 HB3 ARG 19 - HD2 LYS 12 far 0 72 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 81 0 - 7.2-11.4 HG LEU 42 - HD2 LYS 39 far 0 35 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 48 0 - 7.2-10.0 HB ILE 8 - HG12 ILE 15 far 0 37 0 - 7.3-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 63 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 46 0 - 7.3-9.8 HB3 LYS 24 - HD2 LYS 20 far 0 81 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 98 0 - 7.5-10.8 HB3 LYS 13 - HD3 LYS 90 far 0 56 0 - 7.6-12.8 HB2 LYS 24 - HD3 LYS 90 far 0 47 0 - 7.7-12.4 HB3 LEU 14 - HD3 LYS 90 far 0 42 0 - 7.7-12.0 HB3 ARG 19 - HD2 LYS 24 far 0 61 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 61 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 56 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 91 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 59 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 58 0 - 7.8-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 66 0 - 7.8-10.2 HB3 ARG 19 - HD3 LYS 12 far 0 72 0 - 7.8-12.1 HB3 LYS 33 - HG12 ILE 15 far 0 64 0 - 7.9-10.3 HB3 LYS 13 - HD2 LYS 20 far 0 92 0 - 7.9-10.9 HB2 LYS 13 - HD3 LYS 90 far 0 58 0 - 8.1-14.5 HB3 LYS 13 - HD2 LYS 12 far 0 61 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 94 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 62 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 57 0 - 8.3-13.1 HB2 LYS 13 - HG12 ILE 15 far 0 65 0 - 8.4-9.6 HB2 LYS 73 - HD2 LYS 68 far 0 34 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 53 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 64 0 - 8.5-13.1 HG LEU 42 - HD3 LYS 73 far 0 36 0 - 8.6-13.4 HB2 LYS 13 - HD2 LYS 20 far 0 94 0 - 8.6-11.8 HB3 LYS 13 - HG12 ILE 15 far 0 63 0 - 8.7-9.8 HB3 LYS 33 - HD3 LYS 12 far 0 62 0 - 8.9-13.0 HG LEU 42 - HD2 LYS 73 far 0 38 0 - 8.9-13.2 HB2 GLU 17 - HD3 LYS 24 far 0 59 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 90 far 0 47 0 - 9.1-11.4 HB3 MET 74 - HD2 LYS 68 far 0 30 0 - 9.1-14.8 HB2 LYS 33 - HD3 LYS 12 far 0 64 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 73 0 - 9.2-13.6 HB3 ARG 46 - HD2 LYS 39 far 0 51 0 - 9.3-13.0 HB2 GLU 17 - HG12 ILE 15 far 0 73 0 - 9.3-10.2 HB3 ARG 19 - HD2 LYS 13 far 0 56 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.4-12.5 HB3 ARG 19 - HD3 LYS 13 far 0 52 0 - 9.6-13.3 HB2 GLU 43 - HD2 LYS 73 far 0 52 0 - 9.7-15.7 HB3 MET 74 - HD3 LYS 68 far 0 29 0 - 9.9-15.5 HB2 LYS 73 - HD3 LYS 68 far 0 32 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 908 from cnoeabs.peaks (1.46, 1.68, 29.19 ppm; 2.44 A): 13 out of 89 assignments used, quality = 1.00: HG2 LYS 20 + HD3 LYS 20 OK 89 100 100 89 2.3-3.0 2.8=63, 848/5.3=8...(45) * HG2 LYS 20 + HD2 LYS 20 OK 89 100 100 89 2.2-2.9 2.8=63, 848/5.3=8...(46) HG3 ARG 91 + HB3 ARG 91 OK 80 98 100 82 2.2-2.9 2.8=63, ~4016=12...(10) HB2 ARG 91 + HB3 ARG 91 OK 76 76 100 100 1.8-1.8 1.8=100 HG2 LYS 12 + HD3 LYS 12 OK 65 68 100 95 2.3-3.0 3.0=55, 463/3.0=22...(56) HG2 LYS 12 + HD2 LYS 12 OK 65 68 100 95 2.4-3.0 3.0=55, 463/3.0=22...(55) HG2 LYS 47 + HD2 LYS 47 OK 61 67 100 91 2.4-3.0 3.0=56, 1.8/2175=12...(54) HG2 LYS 47 + HD3 LYS 47 OK 61 67 100 91 2.2-3.0 3.0=56, 1.8/2175=12...(57) HG3 LYS 39 + HD2 LYS 39 OK 58 61 100 96 2.3-3.0 3.0=56, 1720/1.8=27...(49) HG2 LYS 73 + HD2 LYS 73 OK 38 42 100 90 2.2-3.0 3.0=57, 1.8/3278=9...(52) HG2 LYS 13 + HD2 LYS 13 OK 37 40 100 91 2.3-3.0 3.0=57, 474/2.9=8...(51) HG2 LYS 73 + HD3 LYS 73 OK 36 40 100 90 2.4-3.0 3.0=57, 1.8/3278=9...(51) HG2 LYS 13 + HD3 LYS 13 OK 34 37 100 91 2.5-3.0 3.0=57, 474/2.9=8...(51) HG LEU 64 - HD3 LYS 68 poor 18 32 55 - 2.0-6.0 HG3 ARG 91 - HD3 LYS 90 poor 17 66 25 - 2.1-10.3 HB2 ARG 91 - HD3 LYS 90 poor 14 46 30 - 2.1-8.5 HG LEU 64 - HD2 LYS 68 poor 10 34 30 - 2.9-6.3 HG3 LYS 39 - HD3 LYS 73 far 0 63 0 - 3.5-12.1 HG2 LYS 73 - HD2 LYS 39 far 0 39 0 - 3.6-9.8 HB3 LEU 64 - HD3 LYS 68 far 0 24 0 - 4.5-7.6 HG2 LYS 12 - HG12 ILE 15 far 0 70 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 46 0 - 4.8-6.8 HG3 LYS 39 - HD2 LYS 73 far 0 66 0 - 5.2-10.9 HG2 LYS 20 - HD3 LYS 24 far 0 60 0 - 5.3-9.6 HG LEU 38 - HD2 LYS 39 far 0 68 0 - 5.4-9.3 HG2 LYS 12 - HD3 LYS 13 far 0 49 0 - 5.7-9.5 HB3 LEU 64 - HD2 LYS 68 far 0 26 0 - 5.8-8.2 HG2 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 53 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 89 0 - 6.0-8.8 HB2 LEU 38 - HD2 LYS 39 far 0 68 0 - 6.0-8.4 HG2 LYS 13 - HD3 LYS 12 far 0 53 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 90 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 54 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 60 0 - 6.3-8.2 QB ALA 22 - HD2 LYS 24 far 0 49 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 48 0 - 6.5-8.7 HG13 ILE 76 - HD2 LYS 73 far 0 60 0 - 6.6-11.9 HG2 LYS 13 - HD2 LYS 12 far 0 53 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 99 0 - 6.8-11.5 HG2 LYS 66 - HD2 LYS 68 far 0 25 0 - 7.2-10.3 HG2 LYS 66 - HD3 LYS 68 far 0 24 0 - 7.2-11.1 HG13 ILE 76 - HD3 LYS 73 far 0 58 0 - 7.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 43 0 - 7.4-12.7 HG13 ILE 52 - HD3 LYS 47 far 0 99 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 42 0 - 7.6-12.9 HB2 LEU 38 - HD3 LYS 73 far 0 71 0 - 7.7-14.9 HG LEU 38 - HD3 LYS 73 far 0 71 0 - 7.8-15.0 HG3 LYS 66 - HD3 LYS 73 far 0 39 0 - 7.9-13.0 HG LEU 38 - HD2 LYS 73 far 0 73 0 - 8.0-15.4 HG3 LYS 66 - HD2 LYS 39 far 0 37 0 - 8.0-11.3 HG13 ILE 76 - HD2 LYS 39 far 0 56 0 - 8.0-12.3 HG3 LYS 66 - HD2 LYS 73 far 0 40 0 - 8.3-12.9 HG2 LYS 66 - HD2 LYS 39 far 0 40 0 - 8.3-12.5 HD3 LYS 40 - HD2 LYS 39 far 0 66 0 - 8.4-12.1 HD2 LYS 82 - HD3 LYS 68 far 0 42 0 - 8.6-12.3 HB2 LEU 27 - HD2 LYS 24 far 0 62 0 - 8.6-11.0 HG3 LYS 66 - HD3 LYS 68 far 0 22 0 - 8.6-12.0 HD2 LYS 40 - HD2 LYS 39 far 0 67 0 - 8.7-11.9 HG2 LYS 20 - HD3 LYS 13 far 0 53 0 - 8.7-13.0 QB ALA 22 - HG12 ILE 15 far 0 60 0 - 8.8-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 73 0 - 8.8-14.7 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.8-13.1 HG3 LYS 66 - HD2 LYS 68 far 0 23 0 - 8.8-11.4 HG LEU 29 - HD2 LYS 20 far 0 90 0 - 8.9-12.4 HG LEU 38 - HD2 LYS 68 far 0 44 0 - 9.0-13.9 HG12 ILE 7 - HD3 LYS 90 far 0 41 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 82 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 82 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 57 0 - 9.1-12.9 HG LEU 38 - HD3 LYS 68 far 0 42 0 - 9.1-14.0 HB2 LEU 27 - HD3 LYS 24 far 0 60 0 - 9.1-10.4 HG2 LYS 73 - HD2 LYS 68 far 0 24 0 - 9.2-12.3 HG LEU 29 - HD3 LYS 20 far 0 89 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 88 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 54 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 54 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.5-14.5 HD2 LYS 82 - HD2 LYS 68 far 0 44 0 - 9.7-13.2 HG2 LYS 73 - HD3 LYS 68 far 0 23 0 - 9.7-13.1 HB2 LEU 27 - HD3 LYS 90 far 0 67 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 98 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 45 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 48 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 86 0 - 9.9-11.4 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 75 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 2.3-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 52 52 100 100 2.3-3.0 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.2-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 43 43 100 100 2.2-3.0 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 HE3 LYS 73 + HD3 LYS 73 OK 42 42 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 7 47 15 - 2.5-6.2 HE2 LYS 73 - HD2 LYS 39 far 5 33 15 - 2.5-10.1 HE3 LYS 90 - HB3 ARG 91 far 4 84 5 - 3.7-9.0 HE3 LYS 39 - HD2 LYS 73 far 2 42 5 - 3.7-10.4 HE3 LYS 39 - HD3 LYS 73 far 2 40 5 - 3.9-11.1 HE3 LYS 73 - HD2 LYS 39 far 2 40 5 - 4.0-10.2 HE2 LYS 94 - HB3 ARG 91 far 0 97 0 - 4.4-9.6 HE3 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.5-11.5 HE3 LYS 90 - HD3 LYS 20 far 0 86 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 99 0 - 4.6-8.8 HE2 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.7-11.5 HE2 LYS 20 - HD3 LYS 90 far 0 67 0 - 4.7-13.8 HE2 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.8-11.8 HG2 MET 21 - HB3 ARG 91 far 0 77 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 80 0 - 6.0-9.2 HE3 LYS 94 - HD3 LYS 90 far 0 67 0 - 6.1-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 69 0 - 6.2-14.4 HE3 LYS 90 - HD2 LYS 20 far 0 87 0 - 6.2-12.3 HE3 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.3-11.2 HE3 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.3-12.5 HG2 MET 21 - HD3 LYS 24 far 0 41 0 - 6.4-9.5 HG2 MET 21 - HD2 LYS 20 far 0 81 0 - 6.6-10.0 HE2 LYS 66 - HD3 LYS 73 far 0 62 0 - 6.6-12.9 HE2 LYS 94 - HD3 LYS 90 far 0 65 0 - 6.7-11.2 HE3 LYS 66 - HD3 LYS 73 far 0 67 0 - 6.7-13.1 HB2 ASN 10 - HD2 LYS 12 far 0 65 0 - 6.7-10.9 HE2 LYS 20 - HD3 LYS 13 far 0 53 0 - 6.8-14.0 HE2 LYS 94 - HD2 LYS 24 far 0 60 0 - 6.8-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 65 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 43 0 - 6.9-9.2 HE3 LYS 20 - HD3 LYS 13 far 0 53 0 - 7.0-14.8 HE2 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.1-12.8 HE3 LYS 94 - HD2 LYS 24 far 0 62 0 - 7.1-13.1 HE3 LYS 94 - HD3 LYS 24 far 0 60 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 58 0 - 7.2-12.9 HE2 LYS 66 - HD2 LYS 73 far 0 65 0 - 7.3-12.8 HE3 LYS 90 - HD3 LYS 13 far 0 40 0 - 7.5-15.1 HE3 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.5-13.3 HE2 LYS 68 - HD3 LYS 73 far 0 71 0 - 7.7-14.2 HE2 LYS 66 - HD2 LYS 68 far 0 38 0 - 7.9-12.2 HE3 LYS 90 - HD2 LYS 13 far 0 44 0 - 7.9-14.0 HE3 LYS 66 - HD2 LYS 68 far 0 42 0 - 7.9-11.7 HE3 LYS 90 - HG12 ILE 15 far 0 58 0 - 8.0-14.9 HB2 ASN 10 - HG12 ILE 15 far 0 67 0 - 8.2-9.0 HE3 LYS 20 - HD2 LYS 12 far 0 73 0 - 8.3-16.6 HB2 ASN 10 - HD3 LYS 13 far 0 47 0 - 8.4-13.2 HE2 LYS 68 - HD2 LYS 73 far 0 73 0 - 8.6-14.0 HE3 LYS 90 - HD3 LYS 24 far 0 46 0 - 8.6-13.4 HE3 LYS 66 - HD2 LYS 39 far 0 65 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 37 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 40 0 - 9.1-12.4 HE3 LYS 68 - HD3 LYS 73 far 0 70 0 - 9.4-14.9 HE2 LYS 66 - HD2 LYS 39 far 0 60 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 51 0 - 9.6-12.6 HB2 ASN 60 - HD3 LYS 68 far 0 35 0 - 9.6-14.6 HE2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.7-15.9 HE3 LYS 90 - HD2 LYS 24 far 0 47 0 - 9.7-13.7 HE2 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.7-16.6 HE3 LYS 73 - HD2 LYS 68 far 0 25 0 - 9.8-14.9 HE3 LYS 68 - HD2 LYS 73 far 0 73 0 - 9.9-14.4 HE3 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.9-15.8 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 75 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 45 45 100 100 2.2-3.0 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.2-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 43 43 100 100 2.2-3.0 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 2.3-3.0 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 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 7 48 15 - 2.5-6.2 HE2 LYS 73 - HD2 LYS 39 far 5 35 15 - 2.5-10.1 HE3 LYS 90 - HB3 ARG 91 far 4 85 5 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 2 41 5 - 4.0-10.2 HE3 LYS 39 - HD2 LYS 73 far 2 40 5 - 3.7-10.4 HE3 LYS 39 - HD3 LYS 73 far 2 39 5 - 3.9-11.1 HE2 LYS 94 - HB3 ARG 91 far 0 98 0 - 4.4-9.6 HE3 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.5-11.5 HE3 LYS 90 - HD3 LYS 20 far 0 88 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 99 0 - 4.6-8.8 HE2 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.7-11.5 HE2 LYS 20 - HD3 LYS 90 far 0 67 0 - 4.7-13.8 HE2 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.8-11.8 HG2 MET 21 - HB3 ARG 91 far 0 79 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 82 0 - 6.0-9.2 HE3 LYS 94 - HD3 LYS 90 far 0 67 0 - 6.1-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 69 0 - 6.2-14.4 HE3 LYS 90 - HD2 LYS 20 far 0 88 0 - 6.2-12.3 HE3 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.3-11.2 HE3 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.3-12.5 HG2 MET 21 - HD3 LYS 24 far 0 43 0 - 6.4-9.5 HG2 MET 21 - HD2 LYS 20 far 0 82 0 - 6.6-10.0 HE2 LYS 66 - HD3 LYS 73 far 0 62 0 - 6.6-12.9 HE2 LYS 94 - HD3 LYS 90 far 0 66 0 - 6.7-11.2 HE3 LYS 66 - HD3 LYS 73 far 0 67 0 - 6.7-13.1 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 6.7-10.9 HE2 LYS 20 - HD3 LYS 13 far 0 53 0 - 6.8-14.0 HE2 LYS 94 - HD2 LYS 24 far 0 60 0 - 6.8-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 44 0 - 6.9-9.2 HE3 LYS 20 - HD3 LYS 13 far 0 53 0 - 7.0-14.8 HE2 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.1-12.8 HE3 LYS 94 - HD2 LYS 24 far 0 62 0 - 7.1-13.1 HE3 LYS 94 - HD3 LYS 24 far 0 60 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 59 0 - 7.2-12.9 HE2 LYS 66 - HD2 LYS 73 far 0 64 0 - 7.3-12.8 HE3 LYS 90 - HD3 LYS 13 far 0 41 0 - 7.5-15.1 HE3 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.5-13.3 HE2 LYS 68 - HD3 LYS 73 far 0 70 0 - 7.7-14.2 HE2 LYS 66 - HD2 LYS 68 far 0 38 0 - 7.9-12.2 HE3 LYS 90 - HD2 LYS 13 far 0 45 0 - 7.9-14.0 HE3 LYS 66 - HD2 LYS 68 far 0 41 0 - 7.9-11.7 HE3 LYS 90 - HG12 ILE 15 far 0 59 0 - 8.0-14.9 HB2 ASN 10 - HG12 ILE 15 far 0 68 0 - 8.2-9.0 HE3 LYS 20 - HD2 LYS 12 far 0 73 0 - 8.3-16.6 HB2 ASN 10 - HD3 LYS 13 far 0 47 0 - 8.4-13.2 HE2 LYS 68 - HD2 LYS 73 far 0 73 0 - 8.6-14.0 HE3 LYS 90 - HD3 LYS 24 far 0 47 0 - 8.6-13.4 HE3 LYS 66 - HD2 LYS 39 far 0 64 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 36 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 39 0 - 9.1-12.4 HE3 LYS 68 - HD3 LYS 73 far 0 70 0 - 9.4-14.9 HE2 LYS 66 - HD2 LYS 39 far 0 59 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 51 0 - 9.6-12.6 HB2 ASN 60 - HD3 LYS 68 far 0 34 0 - 9.6-14.6 HE2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.7-15.9 HE3 LYS 90 - HD2 LYS 24 far 0 48 0 - 9.7-13.7 HE2 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.7-16.6 HE3 LYS 73 - HD2 LYS 68 far 0 26 0 - 9.8-14.9 HE3 LYS 68 - HD2 LYS 73 far 0 72 0 - 9.9-14.4 HE3 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.9-15.8 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 16 assignments used, quality = 1.00: H MET 21 + HD3 LYS 20 OK 95 100 95 100 4.1-6.3 6325/3.5=85, 6324/3.5=82...(11) * H MET 21 + HD2 LYS 20 OK 80 100 80 100 4.1-6.2 6325/3.5=85, 6324/3.5=82...(12) H ALA 25 + HD3 LYS 24 OK 34 44 80 97 4.9-6.0 6402/3.0=55, 6400/3.6=41...(10) H ALA 25 + HD2 LYS 24 OK 33 45 75 97 4.5-6.3 6402/3.0=55, 6403=43...(10) H MET 21 - HD3 LYS 24 far 9 60 15 - 4.7-8.2 H MET 21 - HD3 LYS 90 far 7 67 10 - 4.2-8.6 H MET 21 - HD2 LYS 24 far 3 62 5 - 5.3-8.0 H LEU 64 - HD3 LYS 68 far 2 24 10 - 5.4-9.1 H LEU 64 - HD2 LYS 68 far 0 26 0 - 6.4-9.5 H SER 85 - HB3 ARG 91 far 0 98 0 - 7.9-10.8 H SER 85 - HD3 LYS 90 far 0 67 0 - 8.2-10.8 H ALA 25 - HD3 LYS 90 far 0 50 0 - 8.8-12.8 H ALA 25 - HD2 LYS 20 far 0 84 0 - 8.9-11.6 H ALA 25 - HD3 LYS 20 far 0 83 0 - 8.9-11.5 H GLU 98 - HB3 ARG 91 far 0 76 0 - 9.4-11.7 H MET 21 - HB3 ARG 91 far 0 99 0 - 9.5-11.5 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 2.4-4.7 6309/2.8=70, 893/2.8=66...(27) H LYS 20 + HD2 LYS 20 OK 100 100 100 100 1.9-4.6 6309/2.8=70, 893/2.8=66...(27) H SER 9 + HG12 ILE 15 OK 51 59 100 86 3.9-4.9 8436/2.1=57...(8) H LYS 66 - HD3 LYS 68 far 2 46 5 - 4.9-8.8 H LYS 66 - HD2 LYS 68 far 0 47 0 - 5.4-8.4 H LYS 20 - HD3 LYS 24 far 0 54 0 - 5.8-10.2 H LYS 20 - HD3 LYS 90 far 0 61 0 - 5.9-10.6 H LYS 20 - HD2 LYS 24 far 0 56 0 - 6.1-9.7 H SER 9 - HD2 LYS 12 far 0 55 0 - 6.5-10.8 H VAL 78 - HD3 LYS 68 far 0 23 0 - 6.8-11.9 H TYR 41 - HD2 LYS 39 far 0 49 0 - 7.1-8.9 H VAL 78 - HD2 LYS 68 far 0 24 0 - 7.3-12.5 H SER 9 - HD3 LYS 12 far 0 55 0 - 7.5-11.0 H LYS 66 - HD3 LYS 73 far 0 71 0 - 8.4-12.9 H LYS 20 - HG12 ILE 15 far 0 69 0 - 8.4-9.8 HE ARG 30 - HG12 ILE 15 far 0 69 0 - 8.5-12.4 H LYS 20 - HD2 LYS 13 far 0 51 0 - 8.6-12.7 H LYS 20 - HD3 LYS 13 far 0 46 0 - 8.9-12.6 H LYS 66 - HD2 LYS 73 far 0 73 0 - 8.9-13.1 H LYS 20 - HD2 LYS 12 far 0 65 0 - 9.0-14.1 H LYS 20 - HD3 LYS 12 far 0 65 0 - 9.1-13.8 H TYR 41 - HD3 LYS 47 far 0 71 0 - 9.6-13.3 HE ARG 30 - HD2 LYS 47 far 0 98 0 - 9.7-15.7 H TYR 41 - HD2 LYS 47 far 0 71 0 - 9.7-13.7 HE ARG 30 - HD3 LYS 47 far 0 98 0 - 9.8-15.2 HE ARG 30 - HD3 LYS 12 far 0 65 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 916 from cnoeabs.peaks (4.05, 1.67, 29.19 ppm; 3.74 A): 7 out of 48 assignments used, quality = 1.00: * HA LYS 20 + HD3 LYS 20 OK 80 100 80 100 2.2-5.4 848/2.8=56, 5.3=36...(99) HA LYS 20 + HD2 LYS 20 OK 60 100 60 100 2.4-5.1 848/2.8=56, 5.3=36...(99) HA GLU 16 + HD2 LYS 20 OK 58 99 75 78 3.4-6.5 3.0/12145=21, ~12146=12...(18) HA GLU 17 + HD2 LYS 20 OK 56 100 80 70 2.0-5.6 734/3.5=16, 894/2.8=15...(21) HA GLU 16 + HD3 LYS 20 OK 47 100 60 78 3.3-6.9 3.0/12145=18, ~12146=14...(18) HA GLU 17 + HD3 LYS 20 OK 46 100 65 70 2.0-6.2 734/3.5=16, 894/2.8=15...(21) HA LEU 70 + HD2 LYS 73 OK 25 48 65 79 2.3-5.9 10813/3.0=28, ~10819=18...(12) HA LEU 70 - HD2 LYS 39 poor 19 47 40 - 3.6-7.0 HA LEU 70 - HD3 LYS 73 poor 18 47 50 78 2.0-6.0 10813/3.0=28, ~10819=18...(12) HA LYS 20 - HD3 LYS 24 far 8 54 15 - 3.8-8.3 HA GLU 17 - HD3 LYS 90 far 6 61 10 - 4.1-8.0 HA PRO 86 - HD3 LYS 90 far 5 30 15 - 4.0-7.2 HA LYS 20 - HD2 LYS 24 far 3 56 5 - 3.5-7.7 HA GLU 16 - HD2 LYS 12 far 0 64 0 - 5.2-9.3 HA GLU 16 - HD3 LYS 12 far 0 64 0 - 5.5-9.3 HA LYS 66 - HD3 LYS 73 far 0 55 0 - 5.7-10.2 HA GLU 17 - HD2 LYS 13 far 0 51 0 - 5.9-9.8 HA LYS 66 - HD2 LYS 68 far 0 36 0 - 6.0-8.2 HA LYS 66 - HD2 LYS 73 far 0 57 0 - 6.1-10.6 HA GLU 16 - HG12 ILE 15 far 0 67 0 - 6.2-6.5 HA LYS 66 - HD3 LYS 68 far 0 34 0 - 6.3-9.1 HA ARG 46 - HD2 LYS 47 far 0 86 0 - 6.4-8.0 HA GLU 17 - HD3 LYS 13 far 0 46 0 - 6.5-10.2 HA GLU 16 - HD3 LYS 13 far 0 45 0 - 6.5-9.7 HA ARG 46 - HD3 LYS 47 far 0 85 0 - 6.5-7.9 HA GLU 16 - HD2 LYS 13 far 0 49 0 - 6.5-10.3 HA GLU 95 - HB3 ARG 91 far 0 73 0 - 6.7-9.1 HA PRO 86 - HD2 LYS 13 far 0 25 0 - 6.9-10.1 HA GLU 16 - HD3 LYS 90 far 0 60 0 - 7.5-12.2 HA PRO 86 - HB3 ARG 91 far 0 57 0 - 7.6-9.7 HA LYS 20 - HD3 LYS 90 far 0 61 0 - 7.7-11.8 HB2 SER 49 - HD2 LYS 47 far 0 98 0 - 7.9-11.6 HA GLU 17 - HD3 LYS 24 far 0 54 0 - 7.9-11.7 HA LEU 70 - HD2 LYS 68 far 0 30 0 - 8.0-10.1 HA LYS 66 - HD2 LYS 39 far 0 56 0 - 8.1-10.4 HA PRO 86 - HD3 LYS 20 far 0 61 0 - 8.4-12.7 HA PRO 86 - HD3 LYS 13 far 0 22 0 - 8.5-11.0 HB3 SER 59 - HG12 ILE 15 far 0 62 0 - 8.5-10.1 HA PRO 86 - HG12 ILE 15 far 0 35 0 - 8.6-9.8 HB2 SER 49 - HD3 LYS 47 far 0 97 0 - 8.9-11.0 HA GLU 17 - HD2 LYS 24 far 0 56 0 - 8.9-12.0 HA PRO 86 - HD2 LYS 20 far 0 61 0 - 9.0-11.9 HA GLU 17 - HD2 LYS 12 far 0 65 0 - 9.1-13.2 HA LEU 70 - HD3 LYS 68 far 0 29 0 - 9.2-10.7 HA GLU 95 - HD3 LYS 90 far 0 41 0 - 9.3-13.3 HA GLU 17 - HD3 LYS 12 far 0 65 0 - 9.3-13.2 HA GLU 17 - HG12 ILE 15 far 0 69 0 - 9.4-9.9 HA GLU 17 - HB3 ARG 91 far 0 97 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 917 from cnoeabs.peaks (1.89, 1.67, 29.19 ppm; 3.11 A): 15 out of 90 assignments used, quality = 1.00: HB2 LYS 20 + HD2 LYS 20 OK 88 100 90 98 2.4-4.1 3.5=68, ~848=13...(60) * HB2 LYS 20 + HD3 LYS 20 OK 84 100 85 98 2.3-4.2 3.5=68, 1.8/2152=13...(60) HB3 LYS 47 + HD2 LYS 47 OK 63 64 100 99 2.0-3.7 3.9=49, 4.0/6774=14...(111) HB3 LYS 39 + HD2 LYS 39 OK 54 54 100 99 2.0-3.8 3.6=65, 1.8/1686=28...(41) HB3 LYS 12 + HD2 LYS 12 OK 51 51 100 99 2.5-3.9 3.6=65, ~463=14, ~464=14...(73) HB2 LYS 12 + HD3 LYS 12 OK 49 49 100 99 2.1-3.7 3.6=65, ~463=14, ~464=14...(73) HB2 LYS 12 + HD2 LYS 12 OK 49 49 100 99 2.1-4.0 3.6=65, ~463=14, ~464=14...(73) HB3 LYS 47 + HD3 LYS 47 OK 47 63 75 99 2.3-4.2 3.9=49, 4.0/6774=13...(114) HB3 LYS 12 + HD3 LYS 12 OK 43 51 85 99 2.1-4.2 3.6=65, ~463=14, ~464=14...(73) HB3 LYS 68 + HD2 LYS 68 OK 42 43 100 100 2.1-3.9 3.5=70, ~3055=14...(74) HB3 LYS 13 + HD2 LYS 13 OK 37 37 100 99 2.0-3.8 3.6=65, 3.0/487=16...(83) HB3 LYS 68 + HD3 LYS 68 OK 37 41 90 99 2.3-4.1 3.5=70, 1.8/3004=15...(75) HB2 LYS 13 + HD2 LYS 13 OK 35 36 100 99 2.4-3.7 3.6=65, 3.0/487=16...(85) HB3 LYS 13 + HD3 LYS 13 OK 34 34 100 99 2.4-3.7 3.6=65, 3.0/487=16...(83) HB2 LYS 13 + HD3 LYS 13 OK 26 32 80 99 2.4-4.2 3.6=65, 3.0/487=16...(85) HB3 LYS 12 - HD3 LYS 13 poor 12 36 35 - 3.4-7.1 HB2 ARG 19 - HD3 LYS 20 far 10 100 10 - 3.3-7.4 HB2 LYS 12 - HD3 LYS 13 poor 8 34 25 - 3.5-7.6 HB2 LYS 20 - HD3 LYS 24 far 8 54 15 - 2.9-7.7 HB2 ARG 19 - HD2 LYS 20 far 5 100 5 - 3.3-7.2 HB3 LYS 12 - HD2 LYS 13 far 4 39 10 - 3.0-7.0 HB2 LYS 12 - HD2 LYS 13 far 4 37 10 - 3.7-7.8 HB2 LYS 20 - HD2 LYS 24 far 3 56 5 - 3.7-7.3 HB3 LEU 14 - HG12 ILE 15 far 0 64 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 91 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 91 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 66 0 - 5.3-7.8 HB2 LYS 94 - HD3 LYS 90 far 0 36 0 - 5.4-10.9 HB3 LYS 39 - HD3 LYS 73 far 0 54 0 - 5.7-12.1 HB2 LYS 12 - HG12 ILE 15 far 0 52 0 - 5.8-7.3 HB2 ARG 19 - HG12 ILE 15 far 0 69 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 47 0 - 6.2-8.6 HB3 LYS 12 - HG12 ILE 15 far 0 54 0 - 6.6-7.9 HB3 LEU 14 - HD2 LYS 12 far 0 60 0 - 6.6-10.3 HB3 LEU 14 - HD3 LYS 13 far 0 43 0 - 6.7-8.7 HB3 LYS 66 - HD3 LYS 68 far 0 33 0 - 6.9-10.0 HB2 ARG 19 - HD3 LYS 12 far 0 65 0 - 7.0-12.9 HB2 LYS 20 - HD3 LYS 90 far 0 61 0 - 7.0-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 47 0 - 7.0-9.3 HG LEU 42 - HD2 LYS 39 far 0 73 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 66 0 - 7.2-10.0 HB ILE 8 - HG12 ILE 15 far 0 68 0 - 7.3-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 47 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 60 0 - 7.3-9.8 HB3 LYS 39 - HD2 LYS 73 far 0 55 0 - 7.4-12.1 HB3 LYS 66 - HD2 LYS 68 far 0 34 0 - 7.6-9.7 HB3 LYS 13 - HD3 LYS 90 far 0 46 0 - 7.6-12.8 HB2 ARG 19 - HD2 LYS 24 far 0 56 0 - 7.6-12.3 HB3 LEU 14 - HD3 LYS 90 far 0 57 0 - 7.7-12.0 HB3 LYS 13 - HD3 LYS 12 far 0 49 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 32 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 85 0 - 7.8-11.6 HB2 LYS 94 - HD2 LYS 24 far 0 33 0 - 7.8-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 48 0 - 7.8-10.2 HB3 LYS 33 - HG12 ILE 15 far 0 51 0 - 7.9-10.3 HB3 LYS 13 - HD2 LYS 20 far 0 85 0 - 7.9-10.9 HB2 LYS 12 - HD3 LYS 20 far 0 85 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 85 0 - 8.0-11.1 HB2 ARG 19 - HD3 LYS 24 far 0 54 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 65 0 - 8.1-12.9 HB2 LYS 13 - HD3 LYS 90 far 0 43 0 - 8.1-14.5 HB3 LYS 13 - HD2 LYS 12 far 0 49 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 82 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 48 0 - 8.3-13.6 HB2 ARG 19 - HD3 LYS 90 far 0 61 0 - 8.3-13.2 HB3 LYS 66 - HD3 LYS 73 far 0 53 0 - 8.4-12.7 HB3 LYS 66 - HD2 LYS 73 far 0 54 0 - 8.4-13.2 HB2 LYS 13 - HG12 ILE 15 far 0 50 0 - 8.4-9.6 HB2 LYS 33 - HD2 LYS 12 far 0 45 0 - 8.5-13.1 HG LEU 42 - HD3 LYS 73 far 0 73 0 - 8.6-13.4 HB2 LYS 13 - HD2 LYS 20 far 0 82 0 - 8.6-11.8 HB3 LYS 66 - HD2 LYS 39 far 0 53 0 - 8.7-11.3 HB3 LYS 68 - HD2 LYS 73 far 0 66 0 - 8.7-12.6 HB3 LYS 13 - HG12 ILE 15 far 0 52 0 - 8.7-9.8 HB3 LYS 33 - HD3 LYS 12 far 0 48 0 - 8.9-13.0 HG LEU 42 - HD2 LYS 73 far 0 74 0 - 8.9-13.2 HB2 LYS 33 - HD3 LYS 12 far 0 45 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 98 0 - 9.2-13.6 HB VAL 5 - HG12 ILE 15 far 0 48 0 - 9.3-11.3 HB3 LYS 68 - HD3 LYS 73 far 0 65 0 - 9.3-13.0 HB3 LYS 12 - HD3 LYS 20 far 0 88 0 - 9.4-12.5 HB VAL 54 - HD3 LYS 68 far 0 48 0 - 9.4-13.4 HB3 LEU 14 - HD2 LYS 20 far 0 97 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 50 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.5-14.4 HB3 LYS 12 - HD2 LYS 20 far 0 88 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 40 0 - 9.6-24.5 HB2 LYS 20 - HD2 LYS 13 far 0 51 0 - 9.6-14.1 HB VAL 5 - HD3 LYS 90 far 0 42 0 - 9.7-14.0 HB2 GLU 43 - HD2 LYS 73 far 0 67 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 918 from cnoeabs.peaks (1.93, 1.67, 29.19 ppm; 3.09 A): 18 out of 100 assignments used, quality = 1.00: * HB3 LYS 20 + HD3 LYS 20 OK 98 100 100 98 2.0-3.7 3.5=67, 871/6310=15...(65) HB3 LYS 47 + HD2 LYS 47 OK 95 96 100 99 2.0-3.7 3.9=48, 2146/6774=16...(111) HB3 LYS 20 + HD2 LYS 20 OK 88 100 90 98 2.0-4.2 3.5=67, 871/5.9=14...(65) HB3 LYS 47 + HD3 LYS 47 OK 71 96 75 99 2.3-4.2 3.9=48, 2146/6774=15...(114) HB2 LYS 47 + HD2 LYS 47 OK 65 66 100 99 2.2-3.8 3.9=48, 1.8/2153=15...(100) HB2 LYS 47 + HD3 LYS 47 OK 64 65 100 99 3.1-4.0 3.9=48, 1.8/2153=13...(103) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 100 2.1-3.5 3.6=64, 3.0/3233=17...(121) HB3 LYS 73 + HD3 LYS 73 OK 60 60 100 100 2.0-3.8 3.6=64, 3.0/3234=20...(121) HB2 LYS 73 + HD2 LYS 73 OK 54 61 90 100 2.3-4.2 3.6=64, 3.0/3233=17...(125) HB2 LYS 73 + HD3 LYS 73 OK 47 59 80 100 2.8-4.2 3.6=64, 3.0/3234=20...(125) HB2 LYS 13 + HD2 LYS 13 OK 43 43 100 99 2.4-3.7 3.6=64, 3.0/487=16...(85) HB3 LYS 13 + HD2 LYS 13 OK 42 42 100 99 2.0-3.8 3.6=64, 3.0/487=16...(83) HB3 LYS 24 + HD2 LYS 24 OK 38 39 100 99 2.5-3.9 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD2 LYS 24 OK 38 39 100 99 2.5-3.8 3.6=65, ~1096=14...(107) HB3 LYS 13 + HD3 LYS 13 OK 38 38 100 99 2.4-3.7 3.6=64, 3.0/487=16...(83) HB2 LYS 13 + HD3 LYS 13 OK 31 39 80 99 2.4-4.2 3.6=64, 3.0/487=16...(85) HB2 LYS 24 + HD3 LYS 24 OK 28 37 75 99 2.4-4.2 3.6=65, ~1096=14...(109) HB3 LYS 24 + HD3 LYS 24 OK 24 37 65 99 2.1-4.2 3.6=65, ~1096=14...(109) HB3 ARG 19 - HD3 LYS 20 far 15 100 15 - 2.9-8.1 HB2 GLU 17 - HD3 LYS 90 poor 15 60 25 - 2.0-6.2 HB3 ARG 19 - HD2 LYS 20 poor 6 100 25 24 2.8-7.4 4.1/915=10, 798/5.3=8...(4) HB3 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 100 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 99 0 - 4.3-8.1 HB3 LYS 73 - HD2 LYS 39 far 0 61 0 - 4.4-9.0 HB2 LYS 73 - HD2 LYS 39 far 0 60 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 54 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.0-8.4 HB3 LEU 14 - HG12 ILE 15 far 0 43 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 77 0 - 5.1-9.7 HB3 ARG 46 - HD3 LYS 47 far 0 81 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 81 0 - 5.2-8.3 HB2 GLU 43 - HD3 LYS 47 far 0 76 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 94 0 - 5.3-7.8 HB2 LYS 94 - HD3 LYS 90 far 0 57 0 - 5.4-10.9 HB3 MET 74 - HD2 LYS 39 far 0 53 0 - 5.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 96 0 - 5.5-8.2 HB3 LYS 20 - HD3 LYS 90 far 0 61 0 - 5.5-10.1 HB3 MET 74 - HD3 LYS 73 far 0 53 0 - 5.5-9.5 HB3 ARG 19 - HG12 ILE 15 far 0 68 0 - 5.6-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 49 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 31 0 - 6.2-8.6 HB2 LYS 24 - HD3 LYS 20 far 0 81 0 - 6.5-11.0 HB3 LEU 14 - HD2 LYS 12 far 0 40 0 - 6.6-10.3 HB VAL 32 - HG12 ILE 15 far 0 68 0 - 6.6-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 28 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 45 0 - 6.9-10.7 HG3 GLU 88 - HD3 LYS 90 far 0 59 0 - 7.0-10.1 HB2 LYS 13 - HD3 LYS 12 far 0 56 0 - 7.0-9.3 HB3 LYS 24 - HD3 LYS 20 far 0 81 0 - 7.1-11.4 HB3 ARG 19 - HD3 LYS 90 far 0 60 0 - 7.2-13.1 HB3 ARG 19 - HD2 LYS 12 far 0 64 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 80 0 - 7.2-11.4 HG LEU 42 - HD2 LYS 39 far 0 39 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 53 0 - 7.2-10.0 HB ILE 8 - HG12 ILE 15 far 0 34 0 - 7.3-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 56 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 40 0 - 7.3-9.8 HB3 LYS 24 - HD2 LYS 20 far 0 80 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 96 0 - 7.5-10.8 HB3 LYS 13 - HD3 LYS 90 far 0 51 0 - 7.6-12.8 HB2 LYS 24 - HD3 LYS 90 far 0 42 0 - 7.7-12.4 HB3 LEU 14 - HD3 LYS 90 far 0 38 0 - 7.7-12.0 HB3 ARG 19 - HD2 LYS 24 far 0 56 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 54 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 51 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 54 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 53 0 - 7.8-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 61 0 - 7.8-10.2 HB3 ARG 19 - HD3 LYS 12 far 0 64 0 - 7.8-12.1 HB3 LYS 33 - HG12 ILE 15 far 0 59 0 - 7.9-10.3 HB3 LYS 13 - HD2 LYS 20 far 0 91 0 - 7.9-10.9 HB2 LYS 13 - HD3 LYS 90 far 0 53 0 - 8.1-14.5 HB3 LYS 13 - HD2 LYS 12 far 0 54 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 94 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 55 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 51 0 - 8.3-13.1 HB2 LYS 13 - HG12 ILE 15 far 0 60 0 - 8.4-9.6 HB2 LYS 73 - HD2 LYS 68 far 0 39 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 46 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 57 0 - 8.5-13.1 HG LEU 42 - HD3 LYS 73 far 0 38 0 - 8.6-13.4 HB2 LYS 13 - HD2 LYS 20 far 0 94 0 - 8.6-11.8 HB3 LYS 13 - HG12 ILE 15 far 0 58 0 - 8.7-9.8 HB3 LYS 33 - HD3 LYS 12 far 0 55 0 - 8.9-13.0 HG LEU 42 - HD2 LYS 73 far 0 39 0 - 8.9-13.2 HB2 GLU 17 - HD3 LYS 24 far 0 53 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 90 far 0 42 0 - 9.1-11.4 HB3 MET 74 - HD2 LYS 68 far 0 34 0 - 9.1-14.8 HB2 LYS 33 - HD3 LYS 12 far 0 57 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 73 0 - 9.2-13.6 HB3 ARG 46 - HD2 LYS 39 far 0 57 0 - 9.3-13.0 HB2 GLU 17 - HG12 ILE 15 far 0 67 0 - 9.3-10.2 HB3 ARG 19 - HD2 LYS 13 far 0 50 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.4-12.5 HB3 ARG 19 - HD3 LYS 13 far 0 46 0 - 9.6-13.3 HB2 GLU 43 - HD2 LYS 73 far 0 54 0 - 9.7-15.7 HB3 MET 74 - HD3 LYS 68 far 0 33 0 - 9.9-15.5 HB2 LYS 73 - HD3 LYS 68 far 0 37 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 919 from cnoeabs.peaks (1.46, 1.67, 29.19 ppm; 2.44 A): 13 out of 89 assignments used, quality = 1.00: * HG2 LYS 20 + HD3 LYS 20 OK 89 100 100 89 2.3-3.0 2.8=63, 848/5.3=8...(45) HG2 LYS 20 + HD2 LYS 20 OK 89 100 100 89 2.2-2.9 2.8=63, 848/5.3=8...(46) HG3 ARG 91 + HB3 ARG 91 OK 79 97 100 82 2.2-2.9 2.8=63, ~4016=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 2.3-3.0 3.0=56, 1720/1.8=27...(49) HG2 LYS 47 + HD2 LYS 47 OK 60 66 100 91 2.4-3.0 3.0=56, 1.8/2175=12...(54) HG2 LYS 47 + HD3 LYS 47 OK 59 65 100 91 2.2-3.0 3.0=56, 1.8/2175=12...(57) HG2 LYS 12 + HD3 LYS 12 OK 58 61 100 95 2.3-3.0 3.0=55, 463/3.0=22...(56) HG2 LYS 12 + HD2 LYS 12 OK 58 61 100 95 2.4-3.0 3.0=55, 463/3.0=22...(55) HG2 LYS 73 + HD2 LYS 73 OK 39 44 100 90 2.2-3.0 3.0=57, 1.8/3278=9...(52) HG2 LYS 73 + HD3 LYS 73 OK 38 43 100 90 2.4-3.0 3.0=57, 1.8/3278=10...(51) HG2 LYS 13 + HD2 LYS 13 OK 32 36 100 91 2.3-3.0 3.0=57, 474/2.9=8...(51) HG2 LYS 13 + HD3 LYS 13 OK 29 32 100 91 2.5-3.0 3.0=57, 474/2.9=8...(51) HG3 ARG 91 - HD3 LYS 90 poor 15 60 25 - 2.1-10.3 HG LEU 64 - HD3 LYS 68 poor 13 37 55 64 2.0-6.0 ~12320=9, ~10264=9...(19) HB2 ARG 91 - HD3 LYS 90 poor 12 41 30 - 2.1-8.5 HG LEU 64 - HD2 LYS 68 poor 12 39 30 - 2.9-6.3 HG3 LYS 39 - HD3 LYS 73 far 0 67 0 - 3.5-12.1 HG2 LYS 73 - HD2 LYS 39 far 0 43 0 - 3.6-9.8 HB3 LEU 64 - HD3 LYS 68 far 0 28 0 - 4.5-7.6 HG2 LYS 12 - HG12 ILE 15 far 0 65 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 42 0 - 4.8-6.8 HG3 LYS 39 - HD2 LYS 73 far 0 68 0 - 5.2-10.9 HG2 LYS 20 - HD3 LYS 24 far 0 54 0 - 5.3-9.6 HG LEU 38 - HD2 LYS 39 far 0 75 0 - 5.4-9.3 HG2 LYS 12 - HD3 LYS 13 far 0 43 0 - 5.7-9.5 HB3 LEU 64 - HD2 LYS 68 far 0 29 0 - 5.8-8.2 HG2 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 47 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 90 0 - 6.0-8.8 HB2 LEU 38 - HD2 LYS 39 far 0 75 0 - 6.0-8.4 HG2 LYS 13 - HD3 LYS 12 far 0 47 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 89 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 49 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 56 0 - 6.3-8.2 QB ALA 22 - HD2 LYS 24 far 0 45 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 43 0 - 6.5-8.7 HG13 ILE 76 - HD2 LYS 73 far 0 63 0 - 6.6-11.9 HG2 LYS 13 - HD2 LYS 12 far 0 47 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 98 0 - 6.8-11.5 HG2 LYS 66 - HD2 LYS 68 far 0 28 0 - 7.2-10.3 HG2 LYS 66 - HD3 LYS 68 far 0 27 0 - 7.2-11.1 HG13 ILE 76 - HD3 LYS 73 far 0 61 0 - 7.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 45 0 - 7.4-12.7 HG13 ILE 52 - HD3 LYS 47 far 0 98 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 44 0 - 7.6-12.9 HB2 LEU 38 - HD3 LYS 73 far 0 74 0 - 7.7-14.9 HG LEU 38 - HD3 LYS 73 far 0 74 0 - 7.8-15.0 HG3 LYS 66 - HD3 LYS 73 far 0 41 0 - 7.9-13.0 HG LEU 38 - HD2 LYS 73 far 0 76 0 - 8.0-15.4 HG3 LYS 66 - HD2 LYS 39 far 0 42 0 - 8.0-11.3 HG13 ILE 76 - HD2 LYS 39 far 0 62 0 - 8.0-12.3 HG3 LYS 66 - HD2 LYS 73 far 0 42 0 - 8.3-12.9 HG2 LYS 66 - HD2 LYS 39 far 0 45 0 - 8.3-12.5 HD3 LYS 40 - HD2 LYS 39 far 0 73 0 - 8.4-12.1 HD2 LYS 82 - HD3 LYS 68 far 0 48 0 - 8.6-12.3 HB2 LEU 27 - HD2 LYS 24 far 0 56 0 - 8.6-11.0 HG3 LYS 66 - HD3 LYS 68 far 0 25 0 - 8.6-12.0 HD2 LYS 40 - HD2 LYS 39 far 0 73 0 - 8.7-11.9 HG2 LYS 20 - HD3 LYS 13 far 0 46 0 - 8.7-13.0 QB ALA 22 - HG12 ILE 15 far 0 56 0 - 8.8-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 76 0 - 8.8-14.7 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.8-13.1 HG3 LYS 66 - HD2 LYS 68 far 0 26 0 - 8.8-11.4 HG LEU 29 - HD2 LYS 20 far 0 89 0 - 8.9-12.4 HG LEU 38 - HD2 LYS 68 far 0 50 0 - 9.0-13.9 HG12 ILE 7 - HD3 LYS 90 far 0 36 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 82 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 82 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 86 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 51 0 - 9.1-12.9 HG LEU 38 - HD3 LYS 68 far 0 48 0 - 9.1-14.0 HB2 LEU 27 - HD3 LYS 24 far 0 54 0 - 9.1-10.4 HG2 LYS 73 - HD2 LYS 68 far 0 27 0 - 9.2-12.3 HG LEU 29 - HD3 LYS 20 far 0 90 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 49 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 50 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.5-14.5 HD2 LYS 82 - HD2 LYS 68 far 0 50 0 - 9.7-13.2 HG2 LYS 73 - HD3 LYS 68 far 0 26 0 - 9.7-13.1 HB2 LEU 27 - HD3 LYS 90 far 0 61 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 98 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 39 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 43 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 84 0 - 9.9-11.4 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 75 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 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 49 49 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 45 45 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 44 44 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 6 42 15 - 2.5-6.2 HE2 LYS 73 - HD2 LYS 39 far 6 37 15 - 2.5-10.1 HE3 LYS 90 - HB3 ARG 91 far 4 81 5 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 2 45 5 - 4.0-10.2 HE3 LYS 39 - HD2 LYS 73 far 2 44 5 - 3.7-10.4 HE3 LYS 39 - HD3 LYS 73 far 2 43 5 - 3.9-11.1 HE2 LYS 94 - HB3 ARG 91 far 0 96 0 - 4.4-9.6 HE3 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.5-11.5 HE3 LYS 90 - HD3 LYS 20 far 0 87 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 97 0 - 4.6-8.8 HE2 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.7-11.5 HE2 LYS 20 - HD3 LYS 90 far 0 61 0 - 4.7-13.8 HE2 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.8-11.8 HG2 MET 21 - HB3 ARG 91 far 0 75 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 81 0 - 6.0-9.2 HE3 LYS 94 - HD3 LYS 90 far 0 61 0 - 6.1-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 72 0 - 6.2-14.4 HE3 LYS 90 - HD2 LYS 20 far 0 86 0 - 6.2-12.3 HE3 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.3-11.2 HE3 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.3-12.5 HG2 MET 21 - HD3 LYS 24 far 0 37 0 - 6.4-9.5 HG2 MET 21 - HD2 LYS 20 far 0 80 0 - 6.6-10.0 HE2 LYS 66 - HD3 LYS 73 far 0 66 0 - 6.6-12.9 HE2 LYS 94 - HD3 LYS 90 far 0 59 0 - 6.7-11.2 HE3 LYS 66 - HD3 LYS 73 far 0 70 0 - 6.7-13.1 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 6.7-10.9 HE2 LYS 20 - HD3 LYS 13 far 0 46 0 - 6.8-14.0 HE2 LYS 94 - HD2 LYS 24 far 0 55 0 - 6.8-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 39 0 - 6.9-9.2 HE3 LYS 20 - HD3 LYS 13 far 0 46 0 - 7.0-14.8 HE2 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.1-12.8 HE3 LYS 94 - HD2 LYS 24 far 0 56 0 - 7.1-13.1 HE3 LYS 94 - HD3 LYS 24 far 0 54 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 53 0 - 7.2-12.9 HE2 LYS 66 - HD2 LYS 73 far 0 67 0 - 7.3-12.8 HE3 LYS 90 - HD3 LYS 13 far 0 35 0 - 7.5-15.1 HE3 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.5-13.3 HE2 LYS 68 - HD3 LYS 73 far 0 74 0 - 7.7-14.2 HE2 LYS 66 - HD2 LYS 68 far 0 43 0 - 7.9-12.2 HE3 LYS 90 - HD2 LYS 13 far 0 38 0 - 7.9-14.0 HE3 LYS 66 - HD2 LYS 68 far 0 47 0 - 7.9-11.7 HE3 LYS 90 - HG12 ILE 15 far 0 53 0 - 8.0-14.9 HB2 ASN 10 - HG12 ILE 15 far 0 62 0 - 8.2-9.0 HE3 LYS 20 - HD2 LYS 12 far 0 65 0 - 8.3-16.6 HB2 ASN 10 - HD3 LYS 13 far 0 41 0 - 8.4-13.2 HE2 LYS 68 - HD2 LYS 73 far 0 76 0 - 8.6-14.0 HE3 LYS 90 - HD3 LYS 24 far 0 41 0 - 8.6-13.4 HE3 LYS 66 - HD2 LYS 39 far 0 71 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 42 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 45 0 - 9.1-12.4 HE3 LYS 68 - HD3 LYS 73 far 0 74 0 - 9.4-14.9 HE2 LYS 66 - HD2 LYS 39 far 0 66 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 45 0 - 9.6-12.6 HB2 ASN 60 - HD3 LYS 68 far 0 39 0 - 9.6-14.6 HE2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.7-15.9 HE3 LYS 90 - HD2 LYS 24 far 0 43 0 - 9.7-13.7 HE2 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.7-16.6 HE3 LYS 73 - HD2 LYS 68 far 0 28 0 - 9.8-14.9 HE3 LYS 68 - HD2 LYS 73 far 0 75 0 - 9.9-14.4 HE3 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.9-15.8 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 75 assignments used, quality = 1.00: * HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 49 49 100 100 2.2-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 48 48 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 45 45 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 38 38 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 7 43 15 - 2.5-6.2 HE2 LYS 73 - HD2 LYS 39 far 6 39 15 - 2.5-10.1 HE3 LYS 90 - HB3 ARG 91 far 4 83 5 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 2 46 5 - 4.0-10.2 HE3 LYS 39 - HD2 LYS 73 far 2 42 5 - 3.7-10.4 HE3 LYS 39 - HD3 LYS 73 far 2 41 5 - 3.9-11.1 HE2 LYS 94 - HB3 ARG 91 far 0 96 0 - 4.4-9.6 HE3 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.5-11.5 HE3 LYS 90 - HD3 LYS 20 far 0 88 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 97 0 - 4.6-8.8 HE2 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.7-11.5 HE2 LYS 20 - HD3 LYS 90 far 0 61 0 - 4.7-13.8 HE2 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.8-11.8 HG2 MET 21 - HB3 ARG 91 far 0 77 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 82 0 - 6.0-9.2 HE3 LYS 94 - HD3 LYS 90 far 0 61 0 - 6.1-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 71 0 - 6.2-14.4 HE3 LYS 90 - HD2 LYS 20 far 0 88 0 - 6.2-12.3 HE3 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.3-11.2 HE3 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.3-12.5 HG2 MET 21 - HD3 LYS 24 far 0 38 0 - 6.4-9.5 HG2 MET 21 - HD2 LYS 20 far 0 82 0 - 6.6-10.0 HE2 LYS 66 - HD3 LYS 73 far 0 65 0 - 6.6-12.9 HE2 LYS 94 - HD3 LYS 90 far 0 60 0 - 6.7-11.2 HE3 LYS 66 - HD3 LYS 73 far 0 70 0 - 6.7-13.1 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 6.7-10.9 HE2 LYS 20 - HD3 LYS 13 far 0 46 0 - 6.8-14.0 HE2 LYS 94 - HD2 LYS 24 far 0 55 0 - 6.8-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 40 0 - 6.9-9.2 HE3 LYS 20 - HD3 LYS 13 far 0 46 0 - 7.0-14.8 HE2 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.1-12.8 HE3 LYS 94 - HD2 LYS 24 far 0 56 0 - 7.1-13.1 HE3 LYS 94 - HD3 LYS 24 far 0 54 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 53 0 - 7.2-12.9 HE2 LYS 66 - HD2 LYS 73 far 0 66 0 - 7.3-12.8 HE3 LYS 90 - HD3 LYS 13 far 0 36 0 - 7.5-15.1 HE3 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.5-13.3 HE2 LYS 68 - HD3 LYS 73 far 0 74 0 - 7.7-14.2 HE2 LYS 66 - HD2 LYS 68 far 0 43 0 - 7.9-12.2 HE3 LYS 90 - HD2 LYS 13 far 0 39 0 - 7.9-14.0 HE3 LYS 66 - HD2 LYS 68 far 0 46 0 - 7.9-11.7 HE3 LYS 90 - HG12 ILE 15 far 0 54 0 - 8.0-14.9 HB2 ASN 10 - HG12 ILE 15 far 0 62 0 - 8.2-9.0 HE3 LYS 20 - HD2 LYS 12 far 0 65 0 - 8.3-16.6 HB2 ASN 10 - HD3 LYS 13 far 0 41 0 - 8.4-13.2 HE2 LYS 68 - HD2 LYS 73 far 0 75 0 - 8.6-14.0 HE3 LYS 90 - HD3 LYS 24 far 0 42 0 - 8.6-13.4 HE3 LYS 66 - HD2 LYS 39 far 0 70 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 41 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 45 0 - 9.1-12.4 HE3 LYS 68 - HD3 LYS 73 far 0 73 0 - 9.4-14.9 HE2 LYS 66 - HD2 LYS 39 far 0 65 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 45 0 - 9.6-12.6 HB2 ASN 60 - HD3 LYS 68 far 0 39 0 - 9.6-14.6 HE2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.7-15.9 HE3 LYS 90 - HD2 LYS 24 far 0 44 0 - 9.7-13.7 HE2 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.7-16.6 HE3 LYS 73 - HD2 LYS 68 far 0 29 0 - 9.8-14.9 HE3 LYS 68 - HD2 LYS 73 far 0 75 0 - 9.9-14.4 HE3 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.9-15.8 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 16 assignments used, quality = 1.00: * H MET 21 + HD3 LYS 20 OK 95 100 95 100 4.1-6.3 6325/3.5=85, 6324/3.5=82...(11) H MET 21 + HD2 LYS 20 OK 80 100 80 100 4.1-6.2 6325/3.5=85, 6324/3.5=82...(12) H ALA 25 + HD3 LYS 24 OK 30 39 80 97 4.9-6.0 6402/3.0=55, 6400/3.6=41...(10) H ALA 25 + HD2 LYS 24 OK 30 41 75 97 4.5-6.3 6402/3.0=55, 6403=41...(10) H MET 21 - HD3 LYS 24 far 8 54 15 - 4.7-8.2 H MET 21 - HD3 LYS 90 far 6 61 10 - 4.2-8.6 H MET 21 - HD2 LYS 24 far 3 56 5 - 5.3-8.0 H LEU 64 - HD3 LYS 68 far 3 28 10 - 5.4-9.1 H LEU 64 - HD2 LYS 68 far 0 29 0 - 6.4-9.5 H SER 85 - HB3 ARG 91 far 0 97 0 - 7.9-10.8 H SER 85 - HD3 LYS 90 far 0 61 0 - 8.2-10.8 H ALA 25 - HD3 LYS 90 far 0 45 0 - 8.8-12.8 H ALA 25 - HD2 LYS 20 far 0 83 0 - 8.9-11.6 H ALA 25 - HD3 LYS 20 far 0 84 0 - 8.9-11.5 H GLU 98 - HB3 ARG 91 far 0 73 0 - 9.4-11.7 H MET 21 - HB3 ARG 91 far 0 97 0 - 9.5-11.5 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 12 assignments used, quality = 1.00: * H LYS 20 + HE2 LYS 20 OK 95 100 95 100 3.5-5.6 6309/3.6=72, 893/3.6=69...(24) H LYS 20 + HE3 LYS 20 OK 90 100 90 100 3.6-5.7 6309/3.6=72, 893/3.6=69...(24) H LYS 66 + HE2 LYS 66 OK 86 86 100 100 4.4-5.5 7074/2.9=77, 7070/4.7=62...(27) H LYS 66 + HE3 LYS 66 OK 85 94 90 100 3.2-5.6 7074/2.9=77, 7070/4.7=62...(28) H LYS 66 - HE2 LYS 68 far 10 99 10 - 5.0-9.8 H LYS 66 - HE3 LYS 68 far 5 98 5 - 5.2-9.7 H LYS 20 - HE3 LYS 90 far 0 73 0 - 5.8-11.2 H VAL 78 - HE3 LYS 68 far 0 61 0 - 7.7-12.8 H GLU 99 - HE3 LYS 94 far 0 100 0 - 7.8-11.4 H GLU 99 - HE2 LYS 94 far 0 99 0 - 7.9-10.4 H VAL 78 - HE2 LYS 68 far 0 61 0 - 8.3-12.9 H LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 927 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 3.67 A): 6 out of 26 assignments used, quality = 0.96: HA LYS 66 + HE3 LYS 66 OK 70 77 90 100 2.2-4.8 2942/2.9=40, 3.0/2906=29...(47) HA LYS 66 + HE2 LYS 66 OK 55 69 80 100 3.3-4.8 2942/2.9=40, 2879=27...(49) HA GLU 17 + HE2 LYS 20 OK 38 100 65 59 2.0-7.1 894/3.6=12, 734/4.7=10...(17) * HA LYS 20 + HE2 LYS 20 OK 30 100 30 99 3.1-6.2 848/3.6=45, 850/3.6=23...(95) HA LYS 20 + HE3 LYS 20 OK 25 100 25 99 2.1-6.0 848/3.6=45, 850/3.6=23...(95) HA GLU 17 + HE3 LYS 20 OK 20 100 35 58 2.3-7.0 894/3.6=12, 734/4.7=10...(18) HA GLU 17 - HE3 LYS 90 poor 11 73 40 37 3.4-8.1 ~10433=9, 729/11024=9...(9) HA GLU 16 - HE2 LYS 20 far 10 100 10 - 3.9-7.9 HA GLU 16 - HE3 LYS 20 far 10 100 10 - 4.1-8.2 HA PRO 86 - HE3 LYS 90 poor 9 38 25 - 4.3-7.4 HA GLU 95 - HE2 LYS 94 far 0 75 0 - 4.6-7.4 HA GLU 95 - HE3 LYS 94 far 0 79 0 - 4.7-8.4 HA LEU 70 - HE3 LYS 66 far 0 67 0 - 5.4-11.2 HA LYS 66 - HE2 LYS 68 far 0 84 0 - 5.6-10.0 HA LYS 66 - HE3 LYS 68 far 0 83 0 - 6.5-10.0 HA GLU 16 - HE3 LYS 90 far 0 72 0 - 6.6-12.5 HA LEU 70 - HE2 LYS 66 far 0 59 0 - 6.9-9.9 HA LEU 70 - HE2 LYS 68 far 0 73 0 - 7.6-11.4 HA LYS 20 - HE3 LYS 90 far 0 73 0 - 7.9-12.5 HA PRO 86 - HE2 LYS 20 far 0 61 0 - 8.3-13.7 HA LEU 70 - HE3 LYS 68 far 0 73 0 - 8.6-11.8 HA PRO 86 - HE3 LYS 20 far 0 61 0 - 8.9-13.5 HA LYS 20 - HE2 LYS 94 far 0 99 0 - 9.1-15.1 HA GLU 17 - HE2 LYS 94 far 0 99 0 - 9.7-14.2 HA GLU 17 - HE3 LYS 94 far 0 100 0 - 9.9-13.6 HA LYS 20 - HE3 LYS 94 far 0 100 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 928 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 3.64 A): 8 out of 36 assignments used, quality = 1.00: * HB2 LYS 20 + HE2 LYS 20 OK 89 100 90 99 2.2-5.1 4.7=46, 4.0/6313=16...(89) HB2 LYS 20 + HE3 LYS 20 OK 84 100 85 99 2.0-5.2 4.7=46, 4.0/6313=15...(88) HB3 LYS 68 + HE3 LYS 68 OK 74 93 80 99 3.1-4.9 5.0=39, 1.8/3007=15...(67) HB3 LYS 68 + HE2 LYS 68 OK 65 94 70 99 3.3-4.9 5.0=39, 1.8/3007=15...(67) HB2 LYS 94 + HE2 LYS 94 OK 60 68 90 98 2.0-4.9 4.8=44, 1.8/4206=35...(35) HB2 LYS 94 + HE3 LYS 94 OK 52 71 75 98 2.1-4.7 4.8=44, 1.8/4266=25...(35) HB3 LYS 66 + HE3 LYS 66 OK 37 74 50 100 3.9-5.1 4.7=46, ~2943=35...(44) HB3 LYS 66 + HE2 LYS 66 OK 26 65 40 100 3.7-5.2 4.7=46, ~2943=35...(42) HB2 ARG 19 - HE2 LYS 20 far 5 100 5 - 4.4-9.1 HB2 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.4-9.2 HB3 LEU 14 - HE3 LYS 90 far 0 68 0 - 5.7-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 56 0 - 6.4-11.8 HB3 LYS 66 - HE2 LYS 68 far 0 80 0 - 7.1-11.4 HB2 LYS 20 - HE3 LYS 90 far 0 73 0 - 7.2-11.1 HB3 LYS 68 - HE3 LYS 66 far 0 88 0 - 7.3-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 45 0 - 7.4-10.5 HB3 LYS 66 - HE3 LYS 68 far 0 80 0 - 7.4-11.2 HB2 LYS 13 - HE3 LYS 90 far 0 53 0 - 7.4-13.5 HB3 LYS 13 - HE2 LYS 20 far 0 85 0 - 7.4-12.2 HB2 LYS 12 - HE3 LYS 20 far 0 85 0 - 7.8-13.0 HB3 LYS 13 - HE3 LYS 20 far 0 85 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 85 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 79 0 - 7.9-11.4 HB2 ARG 19 - HE3 LYS 90 far 0 73 0 - 8.3-14.1 HB2 LYS 20 - HE2 LYS 94 far 0 99 0 - 8.3-14.3 HB3 LYS 39 - HE3 LYS 66 far 0 76 0 - 8.5-14.5 HB2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.7-13.3 HB2 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.7-14.1 HB2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.0-14.0 HB2 LYS 94 - HE2 LYS 20 far 0 71 0 - 9.2-14.8 HB3 LYS 39 - HE2 LYS 66 far 0 67 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.3-14.0 HB3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.5-13.8 HB3 LEU 14 - HE2 LYS 20 far 0 98 0 - 9.7-13.9 HB2 LYS 94 - HE3 LYS 20 far 0 71 0 - 9.8-14.7 HB2 LYS 12 - HE3 LYS 90 far 0 56 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 929 from cnoeabs.peaks (1.93, 2.91, 41.80 ppm; 3.78 A): 5 out of 44 assignments used, quality = 1.00: HB3 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.1-4.7 4.7=51, 871/6313=19...(82) HB2 LYS 94 + HE3 LYS 94 OK 92 98 95 99 2.1-4.7 4.8=49, 1.8/4266=27...(35) HB2 LYS 94 + HE2 LYS 94 OK 90 96 95 99 2.0-4.9 4.8=49, 1.8/4206=37...(35) * HB3 LYS 20 + HE2 LYS 20 OK 89 100 90 99 2.3-5.0 4.7=51, 871/6313=20...(82) HB2 GLU 17 + HE3 LYS 90 OK 36 72 70 72 2.0-6.0 12027/3.8=34, ~10433=15...(11) HB3 LYS 24 - HE2 LYS 94 far 12 77 15 - 4.1-11.2 HB2 GLU 17 - HE2 LYS 20 far 10 100 10 - 3.9-9.5 HB3 ARG 19 - HE2 LYS 20 far 5 100 5 - 3.4-9.0 HB2 LYS 24 - HE2 LYS 94 far 4 77 5 - 3.5-11.9 HB2 GLU 17 - HE3 LYS 20 far 0 100 0 - 4.7-9.2 HB2 LYS 24 - HE3 LYS 94 far 0 81 0 - 4.8-12.3 HB3 ARG 19 - HE3 LYS 20 far 0 100 0 - 4.8-8.8 HB3 LYS 24 - HE3 LYS 94 far 0 81 0 - 5.0-11.0 HB3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 46 0 - 5.7-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 62 0 - 6.4-11.8 HB3 LYS 24 - HE2 LYS 20 far 0 81 0 - 6.5-11.2 HB3 LYS 24 - HE3 LYS 20 far 0 81 0 - 6.7-11.9 HG3 GLU 88 - HE3 LYS 90 far 0 71 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 73 0 - 6.9-14.2 HB2 LYS 24 - HE2 LYS 20 far 0 81 0 - 7.0-11.8 HB2 LYS 94 - HE3 LYS 90 far 0 69 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 64 0 - 7.4-13.5 HB3 LYS 13 - HE2 LYS 20 far 0 92 0 - 7.4-12.2 HB2 LYS 73 - HE3 LYS 66 far 0 82 0 - 7.6-12.7 HB2 LYS 24 - HE3 LYS 20 far 0 81 0 - 7.8-11.5 HB3 LYS 13 - HE3 LYS 20 far 0 92 0 - 7.8-13.0 HB3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.8-15.6 HB2 LYS 73 - HE2 LYS 68 far 0 88 0 - 8.2-12.4 HB3 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.3-15.2 HB2 LYS 13 - HE2 LYS 20 far 0 94 0 - 8.7-13.3 HB3 LYS 24 - HE3 LYS 90 far 0 52 0 - 8.8-12.4 HB3 LYS 73 - HE3 LYS 66 far 0 83 0 - 8.8-13.9 HB2 LYS 13 - HE3 LYS 20 far 0 94 0 - 9.0-14.0 HB2 LYS 73 - HE3 LYS 68 far 0 87 0 - 9.0-12.8 HB2 LYS 73 - HE2 LYS 66 far 0 73 0 - 9.2-11.6 HB2 LYS 94 - HE2 LYS 20 far 0 98 0 - 9.2-14.8 HB2 LYS 24 - HE3 LYS 90 far 0 52 0 - 9.3-12.7 HB2 GLU 17 - HE2 LYS 94 far 0 98 0 - 9.4-13.4 HB3 LYS 73 - HE2 LYS 68 far 0 89 0 - 9.6-13.8 HB2 GLU 17 - HE3 LYS 94 far 0 100 0 - 9.7-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 73 0 - 9.7-13.9 HB2 LYS 94 - HE3 LYS 20 far 0 98 0 - 9.8-14.7 HG3 GLU 88 - HE2 LYS 94 far 0 97 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 930 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.38 A): 6 out of 54 assignments used, quality = 1.00: * HG2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.0-4.1 3.6=86, 6309/6313=15...(99) HG2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.3-4.2 3.6=86, 6309/6313=14...(97) HG2 LYS 66 + HE3 LYS 66 OK 63 63 100 100 2.0-3.9 3.6=82, 3.0/2906=25...(48) HG3 LYS 66 + HE3 LYS 66 OK 59 60 100 100 2.4-4.0 3.6=82, 3.0/2906=25...(48) HG2 LYS 66 + HE2 LYS 66 OK 55 55 100 100 2.1-3.6 3.6=82, 2914/2.9=21...(50) HG3 LYS 66 + HE2 LYS 66 OK 52 52 100 100 2.2-4.1 3.6=82, 2914/2.9=21...(50) HG LEU 64 - HE3 LYS 68 poor 19 87 25 86 2.4-6.9 2.1/10265=20, ~10265=15...(19) HG LEU 64 - HE2 LYS 68 poor 18 88 20 - 2.0-6.5 HB2 ARG 91 - HE3 LYS 90 far 8 51 15 - 3.9-9.5 HG3 ARG 91 - HE3 LYS 94 far 5 100 5 - 4.2-9.8 HG3 ARG 91 - HE3 LYS 90 far 4 73 5 - 3.4-11.3 HB3 LEU 64 - HE2 LYS 68 far 0 71 0 - 4.5-9.0 HB2 ARG 91 - HE2 LYS 94 far 0 75 0 - 4.9-8.9 HG3 ARG 91 - HE2 LYS 94 far 0 98 0 - 4.9-10.0 HB2 ARG 91 - HE3 LYS 94 far 0 79 0 - 4.9-9.4 HB3 LEU 64 - HE3 LYS 68 far 0 71 0 - 5.1-8.9 HG2 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.3-12.7 QB ALA 22 - HE3 LYS 20 far 0 89 0 - 6.6-9.6 HB2 LEU 38 - HE3 LYS 66 far 0 96 0 - 6.7-13.3 HG2 LYS 66 - HE2 LYS 68 far 0 69 0 - 6.7-12.1 HB2 LEU 38 - HE2 LYS 66 far 0 89 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 96 0 - 7.1-12.2 QB ALA 22 - HE3 LYS 90 far 0 60 0 - 7.1-11.3 HG2 LYS 73 - HE3 LYS 66 far 0 61 0 - 7.2-13.4 HG3 LYS 39 - HE3 LYS 66 far 0 90 0 - 7.3-13.2 HG LEU 38 - HE2 LYS 66 far 0 89 0 - 7.4-12.5 HG2 LYS 66 - HE3 LYS 68 far 0 69 0 - 7.4-11.8 QB ALA 22 - HE2 LYS 20 far 0 90 0 - 7.4-9.2 HG12 ILE 7 - HE3 LYS 90 far 0 45 0 - 7.4-13.1 HG3 LYS 39 - HE2 LYS 66 far 0 81 0 - 7.5-12.7 QB ALA 22 - HE2 LYS 94 far 0 86 0 - 7.7-11.7 HG LEU 64 - HE3 LYS 66 far 0 82 0 - 7.7-10.7 HG2 LYS 73 - HE3 LYS 68 far 0 67 0 - 8.4-14.2 HG3 LYS 66 - HE2 LYS 68 far 0 65 0 - 8.4-13.3 QB ALA 22 - HE3 LYS 94 far 0 89 0 - 8.5-11.4 HG2 LYS 73 - HE2 LYS 68 far 0 67 0 - 8.6-13.6 HG LEU 64 - HE2 LYS 66 far 0 73 0 - 8.7-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 54 0 - 8.7-12.5 HG2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.8-13.6 HG3 LYS 66 - HE3 LYS 68 far 0 65 0 - 8.9-12.9 HD2 LYS 82 - HE2 LYS 68 far 0 100 0 - 9.1-13.6 HG LEU 29 - HE3 LYS 90 far 0 60 0 - 9.1-14.8 HG2 LYS 12 - HE2 LYS 20 far 0 98 0 - 9.2-14.8 HB3 LEU 64 - HE3 LYS 66 far 0 65 0 - 9.2-11.6 HD2 LYS 82 - HE3 LYS 68 far 0 100 0 - 9.2-13.8 HB2 LEU 27 - HE2 LYS 94 far 0 99 0 - 9.3-13.6 HG2 LYS 13 - HE3 LYS 90 far 0 53 0 - 9.3-13.8 HG LEU 38 - HE2 LYS 68 far 0 100 0 - 9.6-15.5 HG2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.7-14.3 HG LEU 29 - HE3 LYS 20 far 0 89 0 - 9.8-13.5 HB2 ARG 91 - HE3 LYS 20 far 0 79 0 - 9.9-17.0 HB2 ARG 91 - HE2 LYS 20 far 0 79 0 - 10.0-16.9 HB3 LEU 64 - HE2 LYS 66 far 0 57 0 - 10.0-11.5 HG3 ARG 91 - HE2 LYS 20 far 0 100 0 - 10.0-18.8 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 77 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 85 89 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 84 87 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(60) * HG3 LYS 20 + HE2 LYS 20 OK 77 100 85 91 2.1-4.2 3.6=46, 1.8/941=10...(61) HG3 LYS 20 + HE3 LYS 20 OK 77 100 85 91 2.2-4.1 3.6=46, 1.8/941=10...(62) HD3 LYS 66 + HE3 LYS 66 OK 71 76 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(17) HD3 LYS 66 + HE2 LYS 66 OK 62 67 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(18) HG2 LYS 68 + HE2 LYS 68 OK 54 73 80 92 2.1-4.1 3.6=44, 1.8/4267=10...(62) HD3 LYS 90 + HE3 LYS 90 OK 54 60 100 90 2.3-3.0 3.0=80, 2.9/4005=16...(13) HG2 LYS 68 + HE3 LYS 68 OK 33 73 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(62) HB3 ARG 91 - HE3 LYS 90 far 0 71 0 - 3.7-9.0 HG LEU 70 - HE3 LYS 66 far 0 80 0 - 3.8-8.6 HG2 PRO 86 - HE3 LYS 90 far 0 64 0 - 4.0-7.7 HB3 ARG 91 - HE2 LYS 94 far 0 97 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 89 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.5-12.2 HG LEU 70 - HE2 LYS 66 far 0 71 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.6-8.8 HD3 LYS 24 - HE2 LYS 20 far 0 90 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 90 0 - 4.7-13.8 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.1-12.5 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 5.8-11.8 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 89 0 - 6.3-12.5 HB3 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 86 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.7-13.1 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 87 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 6.8-12.2 HG2 LYS 68 - HE3 LYS 66 far 0 67 0 - 7.0-11.6 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 86 0 - 7.2-12.9 HG2 LYS 68 - HE2 LYS 66 far 0 59 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.4-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 52 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.5-13.3 HD3 LYS 73 - HE2 LYS 68 far 0 99 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 7.8-12.4 HD2 LYS 68 - HE2 LYS 66 far 0 74 0 - 7.9-12.2 HD2 LYS 13 - HE3 LYS 90 far 0 55 0 - 7.9-14.0 HD2 LYS 68 - HE3 LYS 66 far 0 83 0 - 7.9-11.7 HG12 ILE 15 - HE3 LYS 90 far 0 63 0 - 8.0-14.9 HG LEU 70 - HE2 LYS 68 far 0 87 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 8.3-16.6 HD3 LYS 39 - HE3 LYS 66 far 0 65 0 - 8.5-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 100 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.6-13.4 HD2 LYS 39 - HE3 LYS 66 far 0 86 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 82 0 - 9.1-12.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 77 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 57 0 - 9.6-12.8 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 61 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.9-15.8 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 81 assignments used, quality = 1.00: * HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 68 + HE2 LYS 68 OK 81 85 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 81 85 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD3 LYS 68 + HE2 LYS 68 OK 80 84 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 79 83 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HG3 LYS 20 + HE2 LYS 20 OK 77 100 85 91 2.1-4.2 3.6=46, 1.8/941=10...(61) HG3 LYS 20 + HE3 LYS 20 OK 77 100 85 91 2.2-4.1 3.6=46, 1.8/941=10...(62) HD3 LYS 66 + HE3 LYS 66 OK 75 80 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(18) HD3 LYS 66 + HE2 LYS 66 OK 67 71 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(18) HD3 LYS 90 + HE3 LYS 90 OK 57 63 100 90 2.3-3.0 3.0=80, 2.9/4005=16...(13) HG2 LYS 68 + HE2 LYS 68 OK 50 67 80 92 2.1-4.1 3.6=44, 1.8/4267=10...(62) HG2 LYS 68 + HE3 LYS 68 OK 31 67 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(61) HB3 ARG 91 - HE3 LYS 90 far 0 73 0 - 3.7-9.0 HG LEU 70 - HE3 LYS 66 far 0 84 0 - 3.8-8.6 HG2 PRO 86 - HE3 LYS 90 far 0 67 0 - 4.0-7.7 HB3 ARG 91 - HE2 LYS 94 far 0 98 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 93 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.5-12.2 HG LEU 70 - HE2 LYS 66 far 0 75 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 100 0 - 4.6-8.8 HD3 LYS 24 - HE2 LYS 20 far 0 93 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 93 0 - 4.7-13.8 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.1-12.5 HD2 LYS 24 - HE2 LYS 20 far 0 94 0 - 5.8-11.8 HB3 LEU 70 - HE3 LYS 66 far 0 56 0 - 5.9-11.5 HD3 LYS 90 - HE3 LYS 94 far 0 93 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 94 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 93 0 - 6.3-12.5 HB3 ARG 79 - HE2 LYS 68 far 0 88 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 90 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.7-13.1 HD3 LYS 13 - HE2 LYS 20 far 0 85 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 91 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 87 0 - 6.8-12.2 HB3 LEU 70 - HE2 LYS 66 far 0 48 0 - 6.9-10.6 HG2 LYS 68 - HE3 LYS 66 far 0 61 0 - 7.0-11.6 HD3 LYS 13 - HE3 LYS 20 far 0 85 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 88 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 94 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 93 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 90 0 - 7.2-12.9 HG2 LYS 68 - HE2 LYS 66 far 0 54 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 87 0 - 7.4-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 56 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 88 0 - 7.5-13.3 HB3 LEU 70 - HE2 LYS 68 far 0 61 0 - 7.7-12.1 HD3 LYS 73 - HE2 LYS 68 far 0 98 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 86 0 - 7.8-12.4 HD2 LYS 68 - HE2 LYS 66 far 0 70 0 - 7.9-12.2 HD2 LYS 13 - HE3 LYS 90 far 0 58 0 - 7.9-14.0 HD2 LYS 68 - HE3 LYS 66 far 0 79 0 - 7.9-11.7 HG12 ILE 15 - HE3 LYS 90 far 0 66 0 - 8.0-14.9 HG LEU 70 - HE2 LYS 68 far 0 91 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 88 0 - 8.3-16.6 HB3 LEU 70 - HE3 LYS 68 far 0 61 0 - 8.4-12.4 HD3 LYS 39 - HE3 LYS 66 far 0 60 0 - 8.5-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 96 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 99 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 63 0 - 8.6-13.4 HD2 LYS 39 - HE3 LYS 66 far 0 82 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 69 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 77 0 - 9.1-12.4 HG2 PRO 86 - HE3 LYS 20 far 0 96 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 90 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 73 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 52 0 - 9.6-12.8 HD3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 98 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 64 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.9-15.8 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 77 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) * HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 85 89 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 84 87 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(60) HG3 LYS 20 + HE2 LYS 20 OK 77 100 85 91 2.1-4.2 3.6=46, 1.8/941=10...(61) HG3 LYS 20 + HE3 LYS 20 OK 77 100 85 91 2.2-4.1 3.6=46, 1.8/941=10...(62) HD3 LYS 66 + HE3 LYS 66 OK 71 76 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(17) HD3 LYS 66 + HE2 LYS 66 OK 62 67 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(18) HG2 LYS 68 + HE2 LYS 68 OK 54 73 80 92 2.1-4.1 3.6=44, 1.8/4267=10...(62) HD3 LYS 90 + HE3 LYS 90 OK 54 60 100 90 2.3-3.0 3.0=80, 2.9/4005=16...(13) HG2 LYS 68 + HE3 LYS 68 OK 33 73 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(62) HB3 ARG 91 - HE3 LYS 90 far 0 71 0 - 3.7-9.0 HG LEU 70 - HE3 LYS 66 far 0 80 0 - 3.8-8.6 HG2 PRO 86 - HE3 LYS 90 far 0 64 0 - 4.0-7.7 HB3 ARG 91 - HE2 LYS 94 far 0 97 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 89 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.5-12.2 HG LEU 70 - HE2 LYS 66 far 0 71 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.6-8.8 HD3 LYS 24 - HE2 LYS 20 far 0 90 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 90 0 - 4.7-13.8 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.1-12.5 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 5.8-11.8 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 89 0 - 6.3-12.5 HB3 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 86 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.7-13.1 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 87 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 6.8-12.2 HG2 LYS 68 - HE3 LYS 66 far 0 67 0 - 7.0-11.6 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 86 0 - 7.2-12.9 HG2 LYS 68 - HE2 LYS 66 far 0 59 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.4-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 52 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.5-13.3 HD3 LYS 73 - HE2 LYS 68 far 0 99 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 7.8-12.4 HD2 LYS 68 - HE2 LYS 66 far 0 74 0 - 7.9-12.2 HD2 LYS 13 - HE3 LYS 90 far 0 55 0 - 7.9-14.0 HD2 LYS 68 - HE3 LYS 66 far 0 83 0 - 7.9-11.7 HG12 ILE 15 - HE3 LYS 90 far 0 63 0 - 8.0-14.9 HG LEU 70 - HE2 LYS 68 far 0 87 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 8.3-16.6 HD3 LYS 39 - HE3 LYS 66 far 0 65 0 - 8.5-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 100 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.6-13.4 HD2 LYS 39 - HE3 LYS 66 far 0 86 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 82 0 - 9.1-12.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 77 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 57 0 - 9.6-12.8 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 61 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.9-15.8 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 = 0.98: * H MET 21 + HE2 LYS 20 OK 95 100 95 100 4.1-6.8 6325/4.7=80, 6324/4.7=78...(10) H MET 21 + HE3 LYS 20 OK 70 100 70 100 4.4-6.8 6325/4.7=80, 6324/4.7=78...(10) H MET 21 - HE3 LYS 90 poor 20 73 30 89 4.7-9.6 8561/3.8=70, 8550/6.2=45...(5) H ALA 25 - HE2 LYS 94 far 12 80 15 - 5.9-12.0 H LEU 64 - HE2 LYS 68 far 7 71 10 - 5.4-10.0 H LEU 64 - HE3 LYS 68 far 7 71 10 - 6.0-10.6 H GLU 98 - HE2 LYS 94 far 4 75 5 - 6.5-9.1 H GLU 98 - HE3 LYS 94 far 0 79 0 - 6.8-9.5 H MET 21 - HE2 LYS 94 far 0 99 0 - 7.0-12.3 H LEU 64 - HE3 LYS 66 far 0 65 0 - 7.2-9.4 H ALA 25 - HE3 LYS 94 far 0 84 0 - 7.3-11.8 H LEU 64 - HE2 LYS 66 far 0 57 0 - 7.6-9.1 H MET 21 - HE3 LYS 94 far 0 100 0 - 7.6-12.2 H ALA 25 - HE3 LYS 20 far 0 84 0 - 8.2-12.3 H SER 85 - HE3 LYS 90 far 0 73 0 - 8.6-10.8 H ALA 25 - HE2 LYS 20 far 0 84 0 - 9.0-12.3 Violated in 4 structures by 0.00 A. Peak 937 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 4.63 A): 4 out of 12 assignments used, quality = 1.00: H LYS 20 + HE2 LYS 20 OK 95 100 95 100 3.5-5.6 6309/3.6=72, 893/3.6=69...(24) * H LYS 20 + HE3 LYS 20 OK 90 100 90 100 3.6-5.7 6309/3.6=72, 893/3.6=69...(24) H LYS 66 + HE2 LYS 66 OK 84 84 100 100 4.4-5.5 7074/2.9=77, 7070/4.7=62...(27) H LYS 66 + HE3 LYS 66 OK 84 93 90 100 3.2-5.6 7074/2.9=77, 7070/4.7=62...(28) H LYS 66 - HE2 LYS 68 far 10 99 10 - 5.0-9.8 H LYS 66 - HE3 LYS 68 far 5 98 5 - 5.2-9.7 H LYS 20 - HE3 LYS 90 far 0 76 0 - 5.8-11.2 H VAL 78 - HE3 LYS 68 far 0 60 0 - 7.7-12.8 H GLU 99 - HE3 LYS 94 far 0 100 0 - 7.8-11.4 H GLU 99 - HE2 LYS 94 far 0 99 0 - 7.9-10.4 H VAL 78 - HE2 LYS 68 far 0 61 0 - 8.3-12.9 H LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 938 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 3.67 A): 6 out of 26 assignments used, quality = 0.96: HA LYS 66 + HE3 LYS 66 OK 68 76 90 100 2.2-4.8 2942/2.9=40, 3.0/2906=29...(47) HA LYS 66 + HE2 LYS 66 OK 53 67 80 100 3.3-4.8 2942/2.9=40, 2879=27...(49) HA GLU 17 + HE2 LYS 20 OK 38 100 65 59 2.0-7.1 894/3.6=12, 734/4.7=10...(17) HA LYS 20 + HE2 LYS 20 OK 30 100 30 99 3.1-6.2 848/3.6=45, 850/3.6=23...(95) * HA LYS 20 + HE3 LYS 20 OK 25 100 25 99 2.1-6.0 848/3.6=45, 850/3.6=23...(95) HA GLU 17 + HE3 LYS 20 OK 20 100 35 58 2.3-7.0 894/3.6=12, 734/4.7=10...(18) HA GLU 17 - HE3 LYS 90 poor 12 76 40 38 3.4-8.1 729/11024=9, ~10433=9...(10) HA GLU 16 - HE2 LYS 20 far 10 100 10 - 3.9-7.9 HA GLU 16 - HE3 LYS 20 far 10 100 10 - 4.1-8.2 HA PRO 86 - HE3 LYS 90 poor 10 39 25 - 4.3-7.4 HA GLU 95 - HE2 LYS 94 far 0 76 0 - 4.6-7.4 HA GLU 95 - HE3 LYS 94 far 0 79 0 - 4.7-8.4 HA LEU 70 - HE3 LYS 66 far 0 66 0 - 5.4-11.2 HA LYS 66 - HE2 LYS 68 far 0 83 0 - 5.6-10.0 HA LYS 66 - HE3 LYS 68 far 0 83 0 - 6.5-10.0 HA GLU 16 - HE3 LYS 90 far 0 74 0 - 6.6-12.5 HA LEU 70 - HE2 LYS 66 far 0 57 0 - 6.9-9.9 HA LEU 70 - HE2 LYS 68 far 0 73 0 - 7.6-11.4 HA LYS 20 - HE3 LYS 90 far 0 76 0 - 7.9-12.5 HA PRO 86 - HE2 LYS 20 far 0 61 0 - 8.3-13.7 HA LEU 70 - HE3 LYS 68 far 0 72 0 - 8.6-11.8 HA PRO 86 - HE3 LYS 20 far 0 61 0 - 8.9-13.5 HA LYS 20 - HE2 LYS 94 far 0 99 0 - 9.1-15.1 HA GLU 17 - HE2 LYS 94 far 0 99 0 - 9.7-14.2 HA GLU 17 - HE3 LYS 94 far 0 100 0 - 9.9-13.6 HA LYS 20 - HE3 LYS 94 far 0 100 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 3.64 A): 8 out of 36 assignments used, quality = 1.00: HB2 LYS 20 + HE2 LYS 20 OK 89 100 90 99 2.2-5.1 4.7=46, 4.0/6314=16...(89) * HB2 LYS 20 + HE3 LYS 20 OK 84 100 85 99 2.0-5.2 4.7=46, 4.0/6314=15...(88) HB3 LYS 68 + HE3 LYS 68 OK 74 93 80 99 3.1-4.9 5.0=39, 1.8/3007=15...(67) HB3 LYS 68 + HE2 LYS 68 OK 65 94 70 99 3.3-4.9 5.0=39, 1.8/3007=15...(67) HB2 LYS 94 + HE2 LYS 94 OK 61 69 90 98 2.0-4.9 4.8=44, 1.8/4206=35...(35) HB2 LYS 94 + HE3 LYS 94 OK 52 71 75 98 2.1-4.7 4.8=44, 1.8/4266=25...(35) HB3 LYS 66 + HE3 LYS 66 OK 36 73 50 100 3.9-5.1 4.7=46, ~2943=35...(44) HB3 LYS 66 + HE2 LYS 66 OK 25 64 40 100 3.7-5.2 4.7=46, ~2943=35...(42) HB2 ARG 19 - HE2 LYS 20 far 5 100 5 - 4.4-9.1 HB2 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.4-9.2 HB3 LEU 14 - HE3 LYS 90 far 0 71 0 - 5.7-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 58 0 - 6.4-11.8 HB3 LYS 66 - HE2 LYS 68 far 0 80 0 - 7.1-11.4 HB2 LYS 20 - HE3 LYS 90 far 0 76 0 - 7.2-11.1 HB3 LYS 68 - HE3 LYS 66 far 0 87 0 - 7.3-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 47 0 - 7.4-10.5 HB3 LYS 66 - HE3 LYS 68 far 0 79 0 - 7.4-11.2 HB2 LYS 13 - HE3 LYS 90 far 0 55 0 - 7.4-13.5 HB3 LYS 13 - HE2 LYS 20 far 0 85 0 - 7.4-12.2 HB2 LYS 12 - HE3 LYS 20 far 0 85 0 - 7.8-13.0 HB3 LYS 13 - HE3 LYS 20 far 0 85 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 85 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 77 0 - 7.9-11.4 HB2 ARG 19 - HE3 LYS 90 far 0 76 0 - 8.3-14.1 HB2 LYS 20 - HE2 LYS 94 far 0 99 0 - 8.3-14.3 HB3 LYS 39 - HE3 LYS 66 far 0 75 0 - 8.5-14.5 HB2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.7-13.3 HB2 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.7-14.1 HB2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.0-14.0 HB2 LYS 94 - HE2 LYS 20 far 0 71 0 - 9.2-14.8 HB3 LYS 39 - HE2 LYS 66 far 0 65 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.3-14.0 HB3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.5-13.8 HB3 LEU 14 - HE2 LYS 20 far 0 98 0 - 9.7-13.9 HB2 LYS 94 - HE3 LYS 20 far 0 71 0 - 9.8-14.7 HB2 LYS 12 - HE3 LYS 90 far 0 58 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 940 from cnoeabs.peaks (1.93, 2.91, 41.80 ppm; 3.78 A): 5 out of 44 assignments used, quality = 1.00: * HB3 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.1-4.7 4.7=51, 871/6314=19...(82) HB2 LYS 94 + HE3 LYS 94 OK 92 98 95 99 2.1-4.7 4.8=49, 1.8/4266=27...(35) HB2 LYS 94 + HE2 LYS 94 OK 90 96 95 99 2.0-4.9 4.8=49, 1.8/4206=37...(35) HB3 LYS 20 + HE2 LYS 20 OK 89 100 90 99 2.3-5.0 4.7=51, 871/6314=20...(82) HB2 GLU 17 + HE3 LYS 90 OK 38 74 70 73 2.0-6.0 12027/3.8=34, ~10433=15...(11) HB3 LYS 24 - HE2 LYS 94 far 12 78 15 - 4.1-11.2 HB2 GLU 17 - HE2 LYS 20 far 10 100 10 - 3.9-9.5 HB3 ARG 19 - HE2 LYS 20 far 5 100 5 - 3.4-9.0 HB2 LYS 24 - HE2 LYS 94 far 4 78 5 - 3.5-11.9 HB2 GLU 17 - HE3 LYS 20 far 0 100 0 - 4.7-9.2 HB2 LYS 24 - HE3 LYS 94 far 0 80 0 - 4.8-12.3 HB3 ARG 19 - HE3 LYS 20 far 0 100 0 - 4.8-8.8 HB3 LYS 24 - HE3 LYS 94 far 0 80 0 - 5.0-11.0 HB3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 48 0 - 5.7-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 64 0 - 6.4-11.8 HB3 LYS 24 - HE2 LYS 20 far 0 81 0 - 6.5-11.2 HB3 LYS 24 - HE3 LYS 20 far 0 81 0 - 6.7-11.9 HG3 GLU 88 - HE3 LYS 90 far 0 73 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 75 0 - 6.9-14.2 HB2 LYS 24 - HE2 LYS 20 far 0 81 0 - 7.0-11.8 HB2 LYS 94 - HE3 LYS 90 far 0 72 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 66 0 - 7.4-13.5 HB3 LYS 13 - HE2 LYS 20 far 0 92 0 - 7.4-12.2 HB2 LYS 73 - HE3 LYS 66 far 0 81 0 - 7.6-12.7 HB2 LYS 24 - HE3 LYS 20 far 0 81 0 - 7.8-11.5 HB3 LYS 13 - HE3 LYS 20 far 0 92 0 - 7.8-13.0 HB3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.8-15.6 HB2 LYS 73 - HE2 LYS 68 far 0 88 0 - 8.2-12.4 HB3 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.3-15.2 HB2 LYS 13 - HE2 LYS 20 far 0 94 0 - 8.7-13.3 HB3 LYS 24 - HE3 LYS 90 far 0 54 0 - 8.8-12.4 HB3 LYS 73 - HE3 LYS 66 far 0 82 0 - 8.8-13.9 HB2 LYS 13 - HE3 LYS 20 far 0 94 0 - 9.0-14.0 HB2 LYS 73 - HE3 LYS 68 far 0 87 0 - 9.0-12.8 HB2 LYS 73 - HE2 LYS 66 far 0 71 0 - 9.2-11.6 HB2 LYS 94 - HE2 LYS 20 far 0 98 0 - 9.2-14.8 HB2 LYS 24 - HE3 LYS 90 far 0 54 0 - 9.3-12.7 HB2 GLU 17 - HE2 LYS 94 far 0 98 0 - 9.4-13.4 HB3 LYS 73 - HE2 LYS 68 far 0 89 0 - 9.6-13.8 HB2 GLU 17 - HE3 LYS 94 far 0 100 0 - 9.7-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 73 0 - 9.7-13.9 HB2 LYS 94 - HE3 LYS 20 far 0 98 0 - 9.8-14.7 HG3 GLU 88 - HE2 LYS 94 far 0 98 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 941 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.38 A): 6 out of 54 assignments used, quality = 1.00: HG2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.0-4.1 3.6=86, 6309/6314=15...(99) * HG2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.3-4.2 3.6=86, 6309/6314=14...(97) HG2 LYS 66 + HE3 LYS 66 OK 62 62 100 100 2.0-3.9 3.6=82, 3.0/2906=24...(48) HG3 LYS 66 + HE3 LYS 66 OK 58 58 100 100 2.4-4.0 3.6=82, 3.0/2906=24...(48) HG2 LYS 66 + HE2 LYS 66 OK 54 54 100 100 2.1-3.6 3.6=82, 2914/2.9=21...(50) HG3 LYS 66 + HE2 LYS 66 OK 50 50 100 100 2.2-4.1 3.6=82, 2914/2.9=21...(50) HG LEU 64 - HE3 LYS 68 poor 19 87 25 86 2.4-6.9 2.1/10265=20, ~10265=15...(19) HG LEU 64 - HE2 LYS 68 poor 18 88 20 - 2.0-6.5 HB2 ARG 91 - HE3 LYS 90 far 8 53 15 - 3.9-9.5 HG3 ARG 91 - HE3 LYS 94 far 5 100 5 - 4.2-9.8 HG3 ARG 91 - HE3 LYS 90 far 4 75 5 - 3.4-11.3 HB3 LEU 64 - HE2 LYS 68 far 0 71 0 - 4.5-9.0 HB2 ARG 91 - HE2 LYS 94 far 0 76 0 - 4.9-8.9 HG3 ARG 91 - HE2 LYS 94 far 0 99 0 - 4.9-10.0 HB2 ARG 91 - HE3 LYS 94 far 0 79 0 - 4.9-9.4 HB3 LEU 64 - HE3 LYS 68 far 0 70 0 - 5.1-8.9 HG2 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.3-12.7 QB ALA 22 - HE3 LYS 20 far 0 90 0 - 6.6-9.6 HB2 LEU 38 - HE3 LYS 66 far 0 96 0 - 6.7-13.3 HG2 LYS 66 - HE2 LYS 68 far 0 69 0 - 6.7-12.1 HB2 LEU 38 - HE2 LYS 66 far 0 87 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 96 0 - 7.1-12.2 QB ALA 22 - HE3 LYS 90 far 0 62 0 - 7.1-11.3 HG2 LYS 73 - HE3 LYS 66 far 0 60 0 - 7.2-13.4 HG3 LYS 39 - HE3 LYS 66 far 0 89 0 - 7.3-13.2 HG LEU 38 - HE2 LYS 66 far 0 87 0 - 7.4-12.5 HG2 LYS 66 - HE3 LYS 68 far 0 68 0 - 7.4-11.8 QB ALA 22 - HE2 LYS 20 far 0 89 0 - 7.4-9.2 HG12 ILE 7 - HE3 LYS 90 far 0 47 0 - 7.4-13.1 HG3 LYS 39 - HE2 LYS 66 far 0 79 0 - 7.5-12.7 QB ALA 22 - HE2 LYS 94 far 0 87 0 - 7.7-11.7 HG LEU 64 - HE3 LYS 66 far 0 81 0 - 7.7-10.7 HG2 LYS 73 - HE3 LYS 68 far 0 66 0 - 8.4-14.2 HG3 LYS 66 - HE2 LYS 68 far 0 65 0 - 8.4-13.3 QB ALA 22 - HE3 LYS 94 far 0 89 0 - 8.5-11.4 HG2 LYS 73 - HE2 LYS 68 far 0 67 0 - 8.6-13.6 HG LEU 64 - HE2 LYS 66 far 0 71 0 - 8.7-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 52 0 - 8.7-12.5 HG2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.8-13.6 HG3 LYS 66 - HE3 LYS 68 far 0 64 0 - 8.9-12.9 HD2 LYS 82 - HE2 LYS 68 far 0 100 0 - 9.1-13.6 HG LEU 29 - HE3 LYS 90 far 0 62 0 - 9.1-14.8 HG2 LYS 12 - HE2 LYS 20 far 0 98 0 - 9.2-14.8 HB3 LEU 64 - HE3 LYS 66 far 0 64 0 - 9.2-11.6 HD2 LYS 82 - HE3 LYS 68 far 0 100 0 - 9.2-13.8 HB2 LEU 27 - HE2 LYS 94 far 0 99 0 - 9.3-13.6 HG2 LYS 13 - HE3 LYS 90 far 0 55 0 - 9.3-13.8 HG LEU 38 - HE2 LYS 68 far 0 100 0 - 9.6-15.5 HG2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.7-14.3 HG LEU 29 - HE3 LYS 20 far 0 90 0 - 9.8-13.5 HB2 ARG 91 - HE3 LYS 20 far 0 79 0 - 9.9-17.0 HB2 ARG 91 - HE2 LYS 20 far 0 79 0 - 10.0-16.9 HB3 LEU 64 - HE2 LYS 66 far 0 56 0 - 10.0-11.5 HG3 ARG 91 - HE2 LYS 20 far 0 100 0 - 10.0-18.8 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 77 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 84 88 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 83 87 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(60) HG3 LYS 20 + HE2 LYS 20 OK 77 100 85 91 2.1-4.2 3.6=46, 1.8/941=10...(61) * HG3 LYS 20 + HE3 LYS 20 OK 77 100 85 91 2.2-4.1 3.6=46, 1.8/941=10...(62) HD3 LYS 66 + HE3 LYS 66 OK 69 75 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(17) 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 2.3-3.0 3.0=80, 2.9/4005=17...(13) HG2 LYS 68 + HE2 LYS 68 OK 54 73 80 92 2.1-4.1 3.6=44, 1.8/4267=10...(62) HG2 LYS 68 + HE3 LYS 68 OK 33 72 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(62) HB3 ARG 91 - HE3 LYS 90 far 0 74 0 - 3.7-9.0 HG LEU 70 - HE3 LYS 66 far 0 79 0 - 3.8-8.6 HG2 PRO 86 - HE3 LYS 90 far 0 66 0 - 4.0-7.7 HB3 ARG 91 - HE2 LYS 94 far 0 98 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 90 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.5-12.2 HG LEU 70 - HE2 LYS 66 far 0 70 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.6-8.8 HD3 LYS 24 - HE2 LYS 20 far 0 89 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 89 0 - 4.7-13.8 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.1-12.5 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 5.8-11.8 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 90 0 - 6.3-12.5 HB3 ARG 79 - HE2 LYS 68 far 0 91 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 87 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.7-13.1 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 88 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 6.8-12.2 HG2 LYS 68 - HE3 LYS 66 far 0 66 0 - 7.0-11.6 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 87 0 - 7.2-12.9 HG2 LYS 68 - HE2 LYS 66 far 0 57 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.4-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 54 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.5-13.3 HD3 LYS 73 - HE2 LYS 68 far 0 99 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 7.8-12.4 HD2 LYS 68 - HE2 LYS 66 far 0 72 0 - 7.9-12.2 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.9-14.0 HD2 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.9-11.7 HG12 ILE 15 - HE3 LYS 90 far 0 65 0 - 8.0-14.9 HG LEU 70 - HE2 LYS 68 far 0 86 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 8.3-16.6 HD3 LYS 39 - HE3 LYS 66 far 0 64 0 - 8.5-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 99 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 62 0 - 8.6-13.4 HD2 LYS 39 - HE3 LYS 66 far 0 84 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 71 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 81 0 - 9.1-12.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 75 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 56 0 - 9.6-12.8 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 63 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.9-15.8 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 81 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) * HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 68 + HE2 LYS 68 OK 81 85 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 80 84 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD3 LYS 68 + HE2 LYS 68 OK 80 83 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 79 83 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HG3 LYS 20 + HE2 LYS 20 OK 77 100 85 91 2.1-4.2 3.6=46, 1.8/941=10...(61) HG3 LYS 20 + HE3 LYS 20 OK 77 100 85 91 2.2-4.1 3.6=46, 1.8/941=10...(62) HD3 LYS 66 + HE3 LYS 66 OK 74 79 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(18) HD3 LYS 66 + HE2 LYS 66 OK 65 70 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(18) HD3 LYS 90 + HE3 LYS 90 OK 59 65 100 90 2.3-3.0 3.0=80, 2.9/4005=17...(13) HG2 LYS 68 + HE2 LYS 68 OK 49 67 80 92 2.1-4.1 3.6=44, 1.8/4267=10...(62) HG2 LYS 68 + HE3 LYS 68 OK 30 66 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(61) HB3 ARG 91 - HE3 LYS 90 far 0 75 0 - 3.7-9.0 HG LEU 70 - HE3 LYS 66 far 0 83 0 - 3.8-8.6 HG2 PRO 86 - HE3 LYS 90 far 0 69 0 - 4.0-7.7 HB3 ARG 91 - HE2 LYS 94 far 0 99 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 93 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.5-12.2 HG LEU 70 - HE2 LYS 66 far 0 74 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 100 0 - 4.6-8.8 HD3 LYS 24 - HE2 LYS 20 far 0 93 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 93 0 - 4.7-13.8 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.1-12.5 HD2 LYS 24 - HE2 LYS 20 far 0 94 0 - 5.8-11.8 HB3 LEU 70 - HE3 LYS 66 far 0 55 0 - 5.9-11.5 HD3 LYS 90 - HE3 LYS 94 far 0 93 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 94 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 93 0 - 6.3-12.5 HB3 ARG 79 - HE2 LYS 68 far 0 88 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 83 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 91 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 92 0 - 6.7-13.1 HD3 LYS 13 - HE2 LYS 20 far 0 85 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 92 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 86 0 - 6.8-12.2 HB3 LEU 70 - HE2 LYS 66 far 0 47 0 - 6.9-10.6 HG2 LYS 68 - HE3 LYS 66 far 0 60 0 - 7.0-11.6 HD3 LYS 13 - HE3 LYS 20 far 0 85 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 88 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 94 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 93 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 91 0 - 7.2-12.9 HG2 LYS 68 - HE2 LYS 66 far 0 52 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 87 0 - 7.4-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 58 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 88 0 - 7.5-13.3 HB3 LEU 70 - HE2 LYS 68 far 0 61 0 - 7.7-12.1 HD3 LYS 73 - HE2 LYS 68 far 0 98 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 86 0 - 7.8-12.4 HD2 LYS 68 - HE2 LYS 66 far 0 68 0 - 7.9-12.2 HD2 LYS 13 - HE3 LYS 90 far 0 61 0 - 7.9-14.0 HD2 LYS 68 - HE3 LYS 66 far 0 78 0 - 7.9-11.7 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.0-14.9 HG LEU 70 - HE2 LYS 68 far 0 90 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 88 0 - 8.3-16.6 HB3 LEU 70 - HE3 LYS 68 far 0 60 0 - 8.4-12.4 HD3 LYS 39 - HE3 LYS 66 far 0 58 0 - 8.5-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 96 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 99 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 65 0 - 8.6-13.4 HD2 LYS 39 - HE3 LYS 66 far 0 81 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 67 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 76 0 - 9.1-12.4 HG2 PRO 86 - HE3 LYS 20 far 0 96 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 89 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 71 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 50 0 - 9.6-12.8 HD3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 66 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.9-15.8 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 77 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=8...(34) * HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=8...(34) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 84 88 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 83 87 100 96 2.2-3.0 3.0=77, 3.0/4267=8...(60) HG3 LYS 20 + HE2 LYS 20 OK 77 100 85 91 2.1-4.2 3.6=46, 1.8/941=10...(61) HG3 LYS 20 + HE3 LYS 20 OK 77 100 85 91 2.2-4.1 3.6=46, 1.8/941=10...(62) HD3 LYS 66 + HE3 LYS 66 OK 69 75 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(17) 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 2.3-3.0 3.0=80, 2.9/4005=17...(13) HG2 LYS 68 + HE2 LYS 68 OK 54 73 80 92 2.1-4.1 3.6=44, 1.8/4267=10...(62) HG2 LYS 68 + HE3 LYS 68 OK 33 72 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(62) HB3 ARG 91 - HE3 LYS 90 far 0 74 0 - 3.7-9.0 HG LEU 70 - HE3 LYS 66 far 0 79 0 - 3.8-8.6 HG2 PRO 86 - HE3 LYS 90 far 0 66 0 - 4.0-7.7 HB3 ARG 91 - HE2 LYS 94 far 0 98 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 90 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.5-12.2 HG LEU 70 - HE2 LYS 66 far 0 70 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.6-8.8 HD3 LYS 24 - HE2 LYS 20 far 0 89 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 89 0 - 4.7-13.8 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.1-12.5 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 5.8-11.8 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 90 0 - 6.3-12.5 HB3 ARG 79 - HE2 LYS 68 far 0 91 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 87 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.7-13.1 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 88 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 6.8-12.2 HG2 LYS 68 - HE3 LYS 66 far 0 66 0 - 7.0-11.6 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 87 0 - 7.2-12.9 HG2 LYS 68 - HE2 LYS 66 far 0 57 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.4-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 54 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.5-13.3 HD3 LYS 73 - HE2 LYS 68 far 0 99 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 7.8-12.4 HD2 LYS 68 - HE2 LYS 66 far 0 72 0 - 7.9-12.2 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.9-14.0 HD2 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.9-11.7 HG12 ILE 15 - HE3 LYS 90 far 0 65 0 - 8.0-14.9 HG LEU 70 - HE2 LYS 68 far 0 86 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 8.3-16.6 HD3 LYS 39 - HE3 LYS 66 far 0 64 0 - 8.5-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 99 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 62 0 - 8.6-13.4 HD2 LYS 39 - HE3 LYS 66 far 0 84 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 71 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 81 0 - 9.1-12.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 75 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 56 0 - 9.6-12.8 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 63 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.9-15.8 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): 1 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 far 13 84 15 - 4.3-5.0 H GLU 98 - HA MET 21 far 0 79 0 - 9.7-11.2 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 6 assignments used, quality = 1.00: * HB2 MET 21 + HA MET 21 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 93 - HA MET 21 far 0 98 0 - 5.3-7.9 HB3 LYS 94 - HA MET 21 far 0 81 0 - 5.6-7.8 HB2 GLU 23 - HA MET 21 far 0 65 0 - 6.1-6.8 HB2 GLU 16 - HA MET 21 far 0 85 0 - 9.0-11.3 HB3 GLU 99 - HA HIS 106 far 0 95 0 - 9.9-19.1 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: HG3 MET 21 + HA MET 21 OK 100 100 100 100 2.2-4.0 3.9=100 * HB3 MET 21 + HA MET 21 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 17 - HA MET 21 far 0 77 0 - 8.3-10.0 HG3 GLU 99 - HA HIS 106 far 0 57 0 - 9.2-18.8 HG2 GLN 72 - HA HIS 106 far 0 82 0 - 9.4-22.0 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 9 assignments used, quality = 1.00: * HG2 MET 21 + HA MET 21 OK 100 100 100 100 2.3-3.6 3.9=100 HE2 LYS 94 - HA MET 21 far 14 92 15 - 4.5-10.3 HE3 LYS 24 - HA MET 21 far 13 90 15 - 3.8-7.4 HE2 LYS 24 - HA MET 21 far 13 90 15 - 4.9-7.9 HE3 LYS 94 - HA MET 21 far 0 79 0 - 5.3-10.0 HE2 LYS 20 - HA MET 21 far 0 81 0 - 5.7-8.6 HE3 LYS 20 - HA MET 21 far 0 82 0 - 5.8-8.5 HE3 LYS 90 - HA MET 21 far 0 100 0 - 6.1-9.2 HE3 LYS 68 - HA HIS 106 far 0 70 0 - 9.1-18.5 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: * HG3 MET 21 + HA MET 21 OK 100 100 100 100 2.2-4.0 3.9=100 HB3 MET 21 + HA MET 21 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 17 - HA MET 21 far 0 79 0 - 8.3-10.0 HG3 GLU 99 - HA HIS 106 far 0 59 0 - 9.2-18.8 HG2 GLN 72 - HA HIS 106 far 0 84 0 - 9.4-22.0 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 6 assignments used, quality = 1.00: * QE MET 21 + HA MET 21 OK 100 100 100 100 1.8-2.3 994=70, 6337/3.0=63...(26) HG3 GLU 104 - HA HIS 106 far 5 99 5 - 4.2-9.2 HB2 GLU 23 - HA MET 21 far 0 98 0 - 6.1-6.8 HB2 GLU 16 - HA MET 21 far 0 88 0 - 9.0-11.3 HB2 PRO 86 - HA MET 21 far 0 91 0 - 9.6-12.5 HB3 PRO 86 - HA MET 21 far 0 100 0 - 9.8-11.4 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 3.6-3.6 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 1 assignment used, quality = 1.00: * H LYS 24 + HA MET 21 OK 100 100 100 100 3.2-3.7 6373=100, 6376/6360=49...(14) 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 6 assignments used, quality = 0.91: HB3 LYS 24 + HA MET 21 OK 61 100 65 93 2.3-5.1 3.6/11063=39, 1060=37...(11) HB3 LYS 20 + HA MET 21 OK 53 81 75 87 4.0-5.6 6325/3.0=45, ~6324=31...(12) * HB2 LYS 24 + HA MET 21 OK 51 100 55 93 3.2-5.1 3.6/11063=39...(11) HB2 GLU 17 - HA MET 21 far 0 91 0 - 6.6-7.9 HB3 ARG 19 - HA MET 21 far 0 71 0 - 7.3-8.5 QE MET 1 - HA HIS 106 far 0 94 0 - 9.6-18.7 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 6 assignments used, quality = 0.91: * HB3 LYS 24 + HA MET 21 OK 61 100 65 93 2.3-5.1 3.6/11063=39, 1060=37...(11) HB3 LYS 20 + HA MET 21 OK 53 81 75 87 4.0-5.6 6325/3.0=45, ~6324=31...(12) HB2 LYS 24 + HA MET 21 OK 51 100 55 93 3.2-5.1 3.6/11063=39...(11) HB2 GLU 17 - HA MET 21 far 0 91 0 - 6.6-7.9 HB3 ARG 19 - HA MET 21 far 0 71 0 - 7.3-8.5 QE MET 1 - HA HIS 106 far 0 94 0 - 9.6-18.7 Violated in 0 structures by 0.00 A. Peak 959 from cnoeabs.peaks (3.77, 2.05, 32.03 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: * HA ALA 18 + HB2 MET 21 OK 100 100 100 100 2.3-4.5 770=74, 769/6333=65...(13) HA ARG 19 + HB2 MET 21 OK 24 70 50 68 4.7-6.6 786/6347=36...(6) HA ALA 18 - HB3 LYS 94 far 0 53 0 - 7.0-9.4 Violated in 1 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, 6345/6347=60...(13) H ALA 25 - HB2 MET 21 far 0 84 0 - 4.9-6.7 H GLU 98 - HB3 LYS 94 far 0 35 0 - 5.6-7.1 H ALA 25 - HB3 LYS 94 far 0 38 0 - 6.9-9.2 H MET 21 - HB3 LYS 94 far 0 53 0 - 7.3-9.6 H GLU 98 - HB2 MET 21 far 0 79 0 - 8.5-11.4 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 2.3-3.0 3.0=100 HA MET 21 - HB3 LYS 94 far 0 53 0 - 5.6-7.8 HA ALA 25 - HB2 MET 21 far 0 100 0 - 6.4-9.1 HA ALA 25 - HB3 LYS 94 far 0 53 0 - 7.1-8.9 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 2.3-3.0 3.0=100 HB3 MET 21 - HB3 LYS 94 poor 13 53 25 - 4.1-7.9 HG3 MET 21 - HB3 LYS 94 far 0 53 0 - 4.5-7.0 HG3 GLU 99 - HB3 LYS 94 far 0 25 0 - 7.4-11.5 HG3 GLU 17 - HB2 MET 21 far 0 77 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 964 from cnoeabs.peaks (2.94, 2.05, 32.03 ppm; 3.52 A): 2 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 30 44 70 98 2.2-4.7 4.8=40, 1.8/4266=17...(55) HE3 LYS 94 - HB3 LYS 94 poor 18 35 50 - 3.0-5.0 HG2 MET 21 - HB3 LYS 94 poor 11 53 20 - 3.9-6.5 HE3 LYS 90 - HB2 MET 21 far 5 100 5 - 4.1-8.8 HE2 LYS 94 - HB2 MET 21 far 0 92 0 - 5.1-10.7 HE3 LYS 94 - HB2 MET 21 far 0 79 0 - 5.8-10.8 HE3 LYS 20 - HB2 MET 21 far 0 82 0 - 5.9-9.9 HE2 LYS 20 - HB2 MET 21 far 0 81 0 - 6.0-9.4 HE3 LYS 24 - HB2 MET 21 far 0 90 0 - 6.3-10.3 HE3 LYS 90 - HB3 LYS 94 far 0 52 0 - 7.1-11.0 HE2 LYS 24 - HB2 MET 21 far 0 90 0 - 7.3-10.5 HE2 LYS 24 - HB3 LYS 94 far 0 42 0 - 7.8-12.9 HE3 LYS 24 - HB3 LYS 94 far 0 42 0 - 9.0-12.9 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 2.3-3.0 3.0=100 HB3 MET 21 - HB3 LYS 94 poor 13 53 25 - 4.1-7.9 HG3 MET 21 - HB3 LYS 94 far 0 53 0 - 4.5-7.0 HG3 GLU 99 - HB3 LYS 94 far 0 26 0 - 7.4-11.5 HG3 GLU 17 - HB2 MET 21 far 0 79 0 - 7.5-9.9 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 98 100 100 98 1.9-3.3 995=74, 954/3.0=34...(15) QE MET 21 + HB3 LYS 94 OK 30 53 70 82 2.4-4.7 995=26, 12253/2.9=18...(19) HB2 PRO 86 - HB2 MET 21 far 0 91 0 - 7.6-11.1 HB2 GLU 23 - HB2 MET 21 far 0 98 0 - 7.9-8.3 HB2 GLU 16 - HB2 MET 21 far 0 88 0 - 8.0-11.4 HB3 PRO 86 - HB2 MET 21 far 0 100 0 - 8.2-10.0 HB3 GLU 88 - HB3 LYS 94 far 0 43 0 - 9.4-11.5 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 2.5-3.7 6347=100, 6345/6333=80...(16) H ALA 22 - HB3 LYS 94 far 0 53 0 - 7.0-9.1 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 2.3-5.2 959/1.8=74, 769/4.0=66...(15) HA ALA 18 + HG3 MET 21 OK 98 98 100 99 3.6-5.5 770/3.0=64, 8545/1.8=59...(16) HA ARG 19 + HB3 MET 21 OK 22 70 45 71 5.0-6.5 786/4.6=35, 6319/4.0=28...(6) HA ARG 19 - HG3 MET 21 far 0 65 0 - 6.7-7.7 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 6 assignments used, quality = 1.00: * H MET 21 + HB3 MET 21 OK 100 100 100 100 2.1-3.5 4.0=100 H MET 21 + HG3 MET 21 OK 98 98 100 100 2.7-4.5 6335/1.8=77, 6333/3.0=76...(17) H ALA 25 - HB3 MET 21 far 0 84 0 - 5.1-6.7 H ALA 25 - HG3 MET 21 far 0 80 0 - 6.4-7.6 H GLU 98 - HB3 MET 21 far 0 79 0 - 8.0-11.3 H GLU 98 - HG3 MET 21 far 0 75 0 - 9.2-12.1 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 2.6-3.0 3.0=100 HA MET 21 + HG3 MET 21 OK 98 98 100 100 2.2-4.0 3.9=100 HA ALA 25 - HB3 MET 21 far 0 100 0 - 6.9-8.9 HA ALA 25 - HG3 MET 21 far 0 98 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 971 from cnoeabs.peaks (2.05, 2.40, 32.03 ppm; 3.28 A): 2 out of 12 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 2.3-3.0 3.0=100 HG12 ILE 93 - HB3 MET 21 far 5 98 5 - 2.8-5.7 HG12 ILE 93 - HG3 MET 21 far 5 94 5 - 4.1-7.5 HB3 LYS 94 - HB3 MET 21 far 4 81 5 - 4.1-7.9 HB3 LYS 94 - HG3 MET 21 far 0 76 0 - 4.5-7.0 HB2 GLU 23 - HB3 MET 21 far 0 65 0 - 7.7-8.4 HB2 GLU 16 - HG3 MET 21 far 0 81 0 - 7.8-11.1 HB2 GLU 16 - HB3 MET 21 far 0 85 0 - 8.1-11.6 HB2 GLU 23 - HG3 MET 21 far 0 62 0 - 8.2-10.0 HB2 GLU 98 - HB3 MET 21 far 0 100 0 - 9.3-12.9 HB3 GLU 88 - HG3 MET 21 far 0 78 0 - 9.4-11.5 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 98 100 100 98 2.3-3.0 3.0=86, 6335/4.0=22...(18) HE3 LYS 90 - HG3 MET 21 far 0 98 0 - 3.8-6.8 HE3 LYS 90 - HB3 MET 21 far 0 100 0 - 4.2-8.6 HE2 LYS 20 - HG3 MET 21 far 0 76 0 - 4.4-10.0 HE3 LYS 94 - HG3 MET 21 far 0 75 0 - 4.4-10.0 HE2 LYS 94 - HG3 MET 21 far 0 88 0 - 4.5-10.0 HE3 LYS 20 - HG3 MET 21 far 0 78 0 - 4.9-10.4 HE3 LYS 24 - HG3 MET 21 far 0 85 0 - 5.2-10.5 HE2 LYS 20 - HB3 MET 21 far 0 81 0 - 5.5-10.1 HE2 LYS 94 - HB3 MET 21 far 0 92 0 - 5.8-10.6 HE3 LYS 20 - HB3 MET 21 far 0 82 0 - 6.0-10.1 HE2 LYS 24 - HG3 MET 21 far 0 85 0 - 6.0-10.6 HE3 LYS 24 - HB3 MET 21 far 0 90 0 - 6.4-9.8 HE3 LYS 94 - HB3 MET 21 far 0 79 0 - 6.5-10.2 HE2 LYS 24 - HB3 MET 21 far 0 90 0 - 7.4-10.8 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 1.9-3.5 995/1.8=71, 4.3=52...(15) QE MET 21 + HG3 MET 21 OK 98 98 100 100 2.7-3.4 3.4=100 HB3 PRO 86 - HG3 MET 21 far 0 97 0 - 7.2-9.6 HB2 PRO 86 - HG3 MET 21 far 0 87 0 - 7.6-10.4 HB2 GLU 23 - HB3 MET 21 far 0 98 0 - 7.7-8.4 HB2 GLU 16 - HG3 MET 21 far 0 84 0 - 7.8-11.1 HB2 PRO 86 - HB3 MET 21 far 0 91 0 - 8.0-11.7 HB3 PRO 86 - HB3 MET 21 far 0 100 0 - 8.0-10.9 HB2 GLU 16 - HB3 MET 21 far 0 88 0 - 8.1-11.6 HB2 GLU 23 - HG3 MET 21 far 0 95 0 - 8.2-10.0 HB3 GLU 88 - HG3 MET 21 far 0 87 0 - 9.4-11.5 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 2.3-3.1 4.6=100 H ALA 22 + HG3 MET 21 OK 98 98 100 100 3.4-5.0 6347/3.0=94, 6349/1.8=88...(19) 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 2.8-4.3 6335=100, 6333/3.0=77...(16) H ALA 25 - HG2 MET 21 far 4 84 5 - 4.8-7.9 H GLU 98 - HG2 MET 21 far 0 79 0 - 8.8-11.0 Violated in 1 structures by 0.01 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 2.3-3.6 3.9=100 HA ALA 25 - HG2 MET 21 far 0 100 0 - 6.6-9.9 Violated in 0 structures by 0.00 A. Peak 979 from cnoeabs.peaks (2.05, 2.94, 31.91 ppm; 3.30 A): 1 out of 7 assignments used, quality = 1.00: * HB2 MET 21 + HG2 MET 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 94 - HG2 MET 21 far 12 81 15 - 3.9-6.5 HG12 ILE 93 - HG2 MET 21 far 5 98 5 - 4.0-7.3 HB2 GLU 23 - HG2 MET 21 far 0 65 0 - 7.8-10.1 HB2 GLU 16 - HG2 MET 21 far 0 85 0 - 8.5-11.6 HB3 GLU 88 - HG2 MET 21 far 0 82 0 - 9.3-11.4 HB2 GLU 98 - HG2 MET 21 far 0 100 0 - 9.9-13.0 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 2.3-3.0 3.0=89, 4.0/6335=23...(18) HG3 GLU 17 - HG2 MET 21 far 0 77 0 - 6.9-10.8 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 2.3-3.0 3.0=89, 4.0/6335=23...(18) HG3 GLU 17 - HG2 MET 21 far 0 79 0 - 6.9-10.8 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 6 assignments used, quality = 1.00: * QE MET 21 + HG2 MET 21 OK 100 100 100 100 2.5-3.4 3.4=100 HB3 PRO 86 - HG2 MET 21 far 0 100 0 - 7.1-11.0 HB2 PRO 86 - HG2 MET 21 far 0 91 0 - 7.7-10.2 HB2 GLU 23 - HG2 MET 21 far 0 98 0 - 7.8-10.1 HB2 GLU 16 - HG2 MET 21 far 0 88 0 - 8.5-11.6 HB3 GLU 88 - HG2 MET 21 far 0 91 0 - 9.3-11.4 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 2.7-5.0 6349=100, 6347/3.0=94...(17) 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 6 assignments used, quality = 1.00: * H MET 21 + HG3 MET 21 OK 100 100 100 100 2.7-4.5 6335/1.8=77, 6333/3.0=76...(17) H MET 21 + HB3 MET 21 OK 98 98 100 100 2.1-3.5 4.0=100 H ALA 25 - HB3 MET 21 far 0 80 0 - 5.1-6.7 H ALA 25 - HG3 MET 21 far 0 84 0 - 6.4-7.6 H GLU 98 - HB3 MET 21 far 0 75 0 - 8.0-11.3 H GLU 98 - HG3 MET 21 far 0 79 0 - 9.2-12.1 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 2.2-4.0 3.9=100 HA MET 21 + HB3 MET 21 OK 98 98 100 100 2.6-3.0 3.0=100 HA ALA 25 - HB3 MET 21 far 0 98 0 - 6.9-8.9 HA ALA 25 - HG3 MET 21 far 0 100 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 987 from cnoeabs.peaks (2.05, 2.40, 31.91 ppm; 3.28 A): 2 out of 12 assignments used, quality = 1.00: * HB2 MET 21 + HG3 MET 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 MET 21 + HB3 MET 21 OK 98 98 100 100 1.8-1.8 1.8=100 HG12 ILE 93 - HG3 MET 21 far 5 98 5 - 4.1-7.5 HG12 ILE 93 - HB3 MET 21 far 5 94 5 - 2.8-5.7 HB3 LYS 94 - HB3 MET 21 far 4 76 5 - 4.1-7.9 HB3 LYS 94 - HG3 MET 21 far 0 81 0 - 4.5-7.0 HB2 GLU 23 - HB3 MET 21 far 0 62 0 - 7.7-8.4 HB2 GLU 16 - HG3 MET 21 far 0 85 0 - 7.8-11.1 HB2 GLU 16 - HB3 MET 21 far 0 81 0 - 8.1-11.6 HB2 GLU 23 - HG3 MET 21 far 0 65 0 - 8.2-10.0 HB2 GLU 98 - HB3 MET 21 far 0 97 0 - 9.3-12.9 HB3 GLU 88 - HG3 MET 21 far 0 82 0 - 9.4-11.5 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 96 98 100 98 2.3-3.0 3.0=86, 6335/4.0=22...(18) HE3 LYS 90 - HG3 MET 21 far 0 100 0 - 3.8-6.8 HE3 LYS 90 - HB3 MET 21 far 0 98 0 - 4.2-8.6 HE2 LYS 20 - HG3 MET 21 far 0 81 0 - 4.4-10.0 HE3 LYS 94 - HG3 MET 21 far 0 79 0 - 4.4-10.0 HE2 LYS 94 - HG3 MET 21 far 0 92 0 - 4.5-10.0 HE3 LYS 20 - HG3 MET 21 far 0 82 0 - 4.9-10.4 HE3 LYS 24 - HG3 MET 21 far 0 90 0 - 5.2-10.5 HE2 LYS 20 - HB3 MET 21 far 0 76 0 - 5.5-10.1 HE2 LYS 94 - HB3 MET 21 far 0 88 0 - 5.8-10.6 HE3 LYS 20 - HB3 MET 21 far 0 78 0 - 6.0-10.1 HE2 LYS 24 - HG3 MET 21 far 0 90 0 - 6.0-10.6 HE3 LYS 24 - HB3 MET 21 far 0 85 0 - 6.4-9.8 HE3 LYS 94 - HB3 MET 21 far 0 75 0 - 6.5-10.2 HE2 LYS 24 - HB3 MET 21 far 0 85 0 - 7.4-10.8 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 2.7-3.4 3.4=100 QE MET 21 + HB3 MET 21 OK 97 98 100 99 1.9-3.5 995/1.8=71, 4.3=52...(15) HB3 PRO 86 - HG3 MET 21 far 0 100 0 - 7.2-9.6 HB2 PRO 86 - HG3 MET 21 far 0 91 0 - 7.6-10.4 HB2 GLU 23 - HB3 MET 21 far 0 95 0 - 7.7-8.4 HB2 GLU 16 - HG3 MET 21 far 0 88 0 - 7.8-11.1 HB2 PRO 86 - HB3 MET 21 far 0 87 0 - 8.0-11.7 HB3 PRO 86 - HB3 MET 21 far 0 97 0 - 8.0-10.9 HB2 GLU 16 - HB3 MET 21 far 0 84 0 - 8.1-11.6 HB2 GLU 23 - HG3 MET 21 far 0 98 0 - 8.2-10.0 HB3 GLU 88 - HG3 MET 21 far 0 91 0 - 9.4-11.5 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 3.4-5.0 6347/3.0=94, 6349/1.8=88...(19) H ALA 22 + HB3 MET 21 OK 98 98 100 100 2.3-3.1 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 4.0-4.3 6337=100, 3.0/954=66...(14) H ALA 25 + QE MET 21 OK 82 84 100 98 3.2-4.0 2.9/8624=60, 3.6/8540=46...(13) H GLU 98 - QE MET 21 far 0 79 0 - 5.9-7.4 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 1.8-2.3 954=100, 3.0/6337=64...(26) HA ALA 25 + QE MET 21 OK 39 100 45 88 4.0-5.2 2.1/8624=61, 3.0/8612=30...(8) 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 11 assignments used, quality = 0.80: * HB2 MET 21 + QE MET 21 OK 74 100 85 87 1.9-3.3 966=41, 3.0/954=21...(13) HB3 LYS 94 + QE MET 21 OK 26 81 55 58 2.4-4.7 966=13, 3.0/8541=11...(11) HG12 ILE 93 - QE MET 21 far 0 98 0 - 4.4-6.3 HB2 GLU 23 - QE MET 21 far 0 65 0 - 6.2-7.2 HB2 GLU 98 - QE MET 21 far 0 100 0 - 6.7-8.4 HB3 GLU 98 - QE MET 21 far 0 100 0 - 7.9-9.3 HB3 GLU 99 - QE MET 21 far 0 98 0 - 9.0-12.3 HB2 GLU 99 - QE MET 21 far 0 100 0 - 9.0-11.8 HB3 GLU 88 - QE MET 21 far 0 82 0 - 9.5-11.0 HB2 GLU 16 - QE MET 21 far 0 85 0 - 9.5-11.3 HG2 GLU 28 - QE MET 21 far 0 98 0 - 9.9-12.7 Violated in 11 structures by 0.06 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 2.7-3.4 3.4=100 * HB3 MET 21 + QE MET 21 OK 100 100 100 100 1.9-3.5 1.8/995=72, 4.3=58...(15) HG3 GLU 17 - QE MET 21 far 0 77 0 - 8.4-9.8 HG3 GLU 99 - QE MET 21 far 0 59 0 - 8.6-11.5 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 2.5-3.4 3.4=91, 3.0/995=49...(18) HE2 LYS 94 + QE MET 21 OK 40 92 60 72 2.0-6.3 3.0/12251=23...(9) HE3 LYS 94 + QE MET 21 OK 23 79 40 72 2.2-6.2 3.0/12251=23...(9) HE3 LYS 24 - QE MET 21 far 0 90 0 - 4.6-7.3 HE2 LYS 24 - QE MET 21 far 0 90 0 - 4.8-7.6 HE3 LYS 90 - QE MET 21 far 0 100 0 - 5.8-8.3 HE2 LYS 20 - QE MET 21 far 0 81 0 - 6.0-9.4 HE3 LYS 20 - QE MET 21 far 0 82 0 - 6.8-9.3 Violated in 2 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 2.7-3.4 3.4=100 HB3 MET 21 + QE MET 21 OK 99 100 100 100 1.9-3.5 1.8/995=72, 4.3=58...(15) HG3 GLU 17 - QE MET 21 far 0 79 0 - 8.4-9.8 HG3 GLU 99 - QE MET 21 far 0 61 0 - 8.6-11.5 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 3.6-4.0 6351=100, 6345/6337=97...(18) 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 3 assignments used, quality = 1.00: * H ALA 22 + HA ALA 22 OK 100 100 100 100 2.8-2.8 3.0=100 H ILE 8 - HA ALA 67 far 0 57 0 - 8.8-9.8 H SER 59 - HA ALA 67 far 0 57 0 - 9.4-10.4 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 78 90 100 87 2.4-3.2 8636=24, 4.0/8638=21...(18) QB ALA 71 + HA ALA 71 OK 45 45 100 100 2.1-2.1 2.1=100 HG LEU 38 - HA ALA 67 poor 10 50 60 32 2.0-6.7 ~9526=10, 2.1/1659=6...(9) HB2 LEU 38 - HA ALA 67 far 3 55 5 - 3.5-6.3 HG13 ILE 76 - HA ALA 71 far 0 61 0 - 4.0-6.9 QB ALA 71 - HA ALA 67 far 0 49 0 - 4.0-4.9 HG3 LYS 39 - HA ALA 71 far 0 60 0 - 5.2-8.7 HG3 LYS 39 - HA ALA 67 far 0 64 0 - 5.8-9.9 HB2 LEU 38 - HA ALA 71 far 0 51 0 - 6.0-9.2 HG LEU 38 - HA ALA 71 far 0 46 0 - 6.2-9.7 HG LEU 29 - HA ALA 22 far 0 100 0 - 6.5-8.2 HG2 LYS 20 - HA ALA 22 far 0 90 0 - 7.4-9.6 HG13 ILE 52 - HA ALA 71 far 0 49 0 - 9.9-12.3 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, 6363/2.1=72...(14) H LEU 27 + HA ALA 22 OK 65 68 100 96 3.4-4.3 8638=43, 4.0/8636=34...(15) H ALA 71 + HA ALA 71 OK 54 54 100 100 2.7-2.9 3.0=100 H ALA 71 + HA ALA 67 OK 48 58 100 83 3.5-4.3 7157/7140=31, 7164=27...(10) H LYS 94 - HA ALA 22 far 0 98 0 - 5.7-7.0 H PHE 45 - HA ALA 71 far 0 54 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 1005 from cnoeabs.peaks (7.71, 3.83, 55.43 ppm; 4.11 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 25 + HA ALA 22 OK 100 100 100 100 3.3-3.6 6394=100, 6408/1006=48...(15) H MET 74 + HA ALA 71 OK 31 33 100 94 3.4-4.0 4.8/9613=31, 4.7/9579=30...(15) H MET 21 - HA ALA 22 far 0 84 0 - 5.3-5.5 H LEU 64 - HA ALA 67 far 0 64 0 - 7.0-7.3 H MET 74 - HA ALA 67 far 0 36 0 - 8.3-9.1 H GLU 37 - HA ALA 67 far 0 42 0 - 8.4-10.2 H ASN 60 - HA ALA 67 far 0 55 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (1.34, 3.83, 55.43 ppm; 3.11 A): 2 out of 16 assignments used, quality = 0.98: * QB ALA 25 + HA ALA 22 OK 96 100 100 96 2.4-3.1 1154=46, 6408/6394=38...(16) QB ALA 67 + HA ALA 67 OK 65 65 100 100 2.1-2.1 2.1=100 HB2 LEU 70 - HA ALA 67 poor 17 43 40 - 2.7-4.9 HB2 LEU 70 - HA ALA 71 poor 14 40 35 - 3.9-4.7 HB3 LEU 27 - HA ALA 22 far 10 100 10 - 4.0-4.9 HB3 LEU 42 - HA ALA 71 far 5 33 15 - 3.4-5.2 HG2 LYS 39 - HA ALA 71 far 0 60 0 - 4.9-7.3 HG3 LYS 68 - HA ALA 67 far 0 63 0 - 5.1-7.3 QB ALA 67 - HA ALA 71 far 0 61 0 - 5.9-7.1 HG2 LYS 39 - HA ALA 67 far 0 64 0 - 6.3-9.1 HG12 ILE 8 - HA ALA 67 far 0 50 0 - 6.5-8.0 HG3 LYS 68 - HA ALA 71 far 0 58 0 - 7.3-9.0 HB3 LEU 42 - HA ALA 67 far 0 36 0 - 7.6-9.2 QB ALA 89 - HA ALA 22 far 0 100 0 - 7.6-9.0 HG2 LYS 94 - HA ALA 22 far 0 100 0 - 7.7-9.4 HB2 LYS 82 - HA ALA 67 far 0 65 0 - 9.4-10.9 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 = 1.00: * HA ARG 19 + QB ALA 22 OK 95 100 100 95 2.6-3.4 787=63, 786/6353=30...(17) HA ALA 22 + QB ALA 22 OK 95 95 100 100 2.1-2.1 2.1=100 HA ALA 18 - QB ALA 22 far 0 70 0 - 4.5-5.5 HA SER 97 - QB ALA 22 far 0 100 0 - 6.7-8.3 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 2.0-2.2 2.9=100 H ILE 8 - QB ALA 22 far 0 94 0 - 9.8-11.0 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 88 95 100 93 2.6-3.4 787=58, 786/6353=28...(17) HA LYS 94 - QB ALA 22 far 0 59 0 - 5.8-7.1 HA SER 97 - QB ALA 22 far 0 99 0 - 6.7-8.3 HA2 GLY 100 - QB ALA 22 far 0 59 0 - 9.9-12.6 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 2.4-2.9 6363=100, 6354/6353=63...(22) H LEU 27 + QB ALA 22 OK 60 68 100 88 3.1-3.6 8638/2.1=33, 6440=22...(14) H LYS 94 - QB ALA 22 far 0 98 0 - 5.8-7.2 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 53 68 100 78 2.9-3.9 8637=39, 3.6/10478=32...(7) 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 2.4-2.6 3.0=100 QE MET 21 - HA GLU 23 far 0 98 0 - 5.9-6.6 HG2 GLU 28 - HA GLU 23 far 0 88 0 - 6.5-9.7 HG3 GLU 28 - HA GLU 23 far 0 88 0 - 7.1-9.2 HB2 MET 21 - HA GLU 23 far 0 65 0 - 7.3-8.2 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 3.0-3.0 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 = 1.00: * HG2 GLU 23 + HA GLU 23 OK 100 100 100 100 2.3-3.5 1.8/1043=67, 4.2=54...(13) Violated in 8 structures by 0.01 A. Peak 1017 from cnoeabs.peaks (2.49, 4.15, 59.00 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 23 + HA GLU 23 OK 100 100 100 100 2.1-3.6 1043=100, 1.8/1016=85...(22) Violated in 0 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 3.5-3.6 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): 1 out of 10 assignments used, quality = 0.95: HA GLU 16 + HB2 GLU 16 OK 95 95 100 100 2.5-3.0 3.0=100 ! HA LYS 20 - HB2 GLU 23 far 10 100 10 - 3.6-4.6 HA GLU 17 - HB2 GLU 16 far 5 96 5 - 4.0-5.5 HA LYS 66 - HB3 GLU 35 far 0 68 0 - 4.5-8.2 HA LEU 70 - HB3 GLU 35 far 0 58 0 - 5.7-9.4 HA LYS 20 - HB2 GLU 16 far 0 96 0 - 5.8-8.4 HA ARG 46 - HB3 GLU 43 far 0 62 0 - 7.5-8.3 HA PRO 86 - HB2 GLU 16 far 0 55 0 - 8.5-10.7 HA GLU 16 - HB2 GLU 23 far 0 100 0 - 9.1-10.5 HA GLU 17 - HB2 GLU 23 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 1020 from cnoeabs.peaks (8.28, 2.09, 29.16 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 23 + HB2 GLU 23 OK 100 100 100 100 3.5-3.6 6365=100, 6366/1.8=77...(13) H PHE 45 - HB3 GLU 43 far 0 69 0 - 4.6-5.2 H LEU 27 - HB2 GLU 23 far 0 68 0 - 5.4-6.2 H ALA 71 - HB3 GLU 35 far 0 80 0 - 7.3-10.4 H GLU 23 - HB2 GLU 16 far 0 96 0 - 8.8-10.7 Violated in 20 structures by 0.14 A. Peak 1021 from cnoeabs.peaks (4.15, 2.09, 29.16 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.4-2.6 3.0=100 HA LYS 13 - HB2 GLU 16 far 9 95 10 - 3.3-5.2 HA GLU 62 - HB3 GLU 35 far 0 69 0 - 7.6-11.5 HA LYS 47 - HB3 GLU 43 far 0 76 0 - 8.1-9.6 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 12 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 33 44 100 74 2.2-2.9 3.0=51, 1.8/713=12...(12) HG2 GLU 44 - HB3 GLU 43 far 0 66 0 - 3.7-6.6 HB2 GLU 69 - HB3 GLU 35 far 0 66 0 - 5.8-9.3 HG2 GLU 69 - HB3 GLU 35 far 0 66 0 - 6.8-10.8 HB2 PRO 86 - HB2 GLU 16 far 0 63 0 - 7.1-9.7 HB3 GLU 69 - HB3 GLU 35 far 0 66 0 - 7.4-10.9 HB3 GLU 23 - HB2 GLU 16 far 0 96 0 - 8.2-11.2 HB3 GLU 37 - HB3 GLU 35 far 0 65 0 - 8.5-9.1 HB3 GLU 37 - HB3 GLU 43 far 0 54 0 - 9.3-10.7 HG2 GLU 43 - HB3 GLU 35 far 0 53 0 - 9.8-13.1 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 2.6-3.0 2.9=87, 1016/3.0=34...(15) HG3 GLU 16 + HB2 GLU 16 OK 72 74 100 98 2.2-2.8 3.0=77, 1.8/713=27...(22) HG2 GLU 17 - HB2 GLU 16 far 4 77 5 - 3.1-6.8 HG2 GLU 63 - HB3 GLU 35 far 0 69 0 - 6.8-10.3 HG2 GLU 62 - HB3 GLU 35 far 0 87 0 - 6.9-10.3 HG3 GLU 62 - HB3 GLU 35 far 0 87 0 - 7.0-11.4 HG2 GLU 23 - HB2 GLU 16 far 0 96 0 - 7.9-10.7 HG2 GLU 37 - HB3 GLU 35 far 0 84 0 - 8.1-9.0 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 8 assignments used, quality = 1.00: * HG3 GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 ASP 36 - HB3 GLU 35 far 0 80 0 - 6.0-7.5 HB2 ASP 36 - HB3 GLU 35 far 0 81 0 - 6.0-7.0 HG3 GLU 63 - HB3 GLU 35 far 0 69 0 - 6.6-10.8 HG3 GLU 23 - HB2 GLU 16 far 0 96 0 - 7.2-11.9 HG2 MET 74 - HB3 GLU 43 far 0 41 0 - 7.6-9.5 HG2 MET 74 - HB3 GLU 35 far 0 50 0 - 8.7-11.6 HB3 ASP 36 - HB3 GLU 43 far 0 69 0 - 9.4-11.9 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 5 assignments used, quality = 1.00: * H LYS 24 + HB2 GLU 23 OK 100 100 100 100 3.0-4.0 1034/1.8=69, 6377/3.0=62...(13) H GLU 44 + HB3 GLU 43 OK 53 54 100 98 2.4-2.9 4.4=64, 6706/1.8=59...(10) H LEU 14 - HB2 GLU 16 far 0 84 0 - 5.7-7.4 H ILE 76 - HB3 GLU 43 far 0 71 0 - 9.8-11.6 H LYS 24 - HB2 GLU 16 far 0 96 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1027 from cnoeabs.peaks (4.05, 2.15, 29.16 ppm; 3.17 A): 4 out of 14 assignments used, quality = 0.99: HA GLU 16 + HB3 GLU 16 OK 94 94 100 100 2.3-3.0 3.0=100 * HA LYS 20 + HB3 GLU 23 OK 74 100 100 74 2.2-3.4 855/6366=33, 857=33...(6) HA GLU 95 + HB3 GLU 95 OK 45 45 100 100 2.2-3.0 3.0=100 HA LYS 66 + HB2 GLU 69 OK 34 45 100 74 2.6-3.5 2882=33, 7119/4.0=25...(10) HA LEU 70 - HB2 GLU 69 far 2 38 5 - 4.0-4.4 HA LEU 70 - HB3 GLU 69 far 2 38 5 - 4.0-4.7 HA GLU 17 - HB3 GLU 16 far 0 95 0 - 4.1-5.6 HA LYS 66 - HB3 GLU 69 far 0 45 0 - 4.1-4.8 HB2 SER 49 - HB3 GLN 50 far 0 66 0 - 4.4-6.8 HA LYS 20 - HB3 GLU 16 far 0 95 0 - 6.3-8.8 HA PRO 86 - HB3 GLU 16 far 0 54 0 - 7.5-10.9 HA ARG 46 - HB3 GLN 50 far 0 54 0 - 7.7-9.3 HA GLU 16 - HB3 GLU 23 far 0 100 0 - 7.8-9.6 HA GLU 17 - HB3 GLU 23 far 0 100 0 - 8.1-9.1 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 8 assignments used, quality = 1.00: * H GLU 23 + HB3 GLU 23 OK 100 100 100 100 2.2-2.7 6366=100, 6365/1.8=72...(13) H LYS 94 - HB3 GLU 95 far 0 63 0 - 4.5-6.5 H ALA 71 - HB2 GLU 69 far 0 55 0 - 4.7-5.4 H ALA 71 - HB3 GLU 69 far 0 55 0 - 5.1-6.2 H LEU 27 - HB3 GLU 23 far 0 68 0 - 5.6-6.6 H LEU 103 - HB3 GLU 95 far 0 63 0 - 7.4-14.8 H GLU 23 - HB3 GLU 16 far 0 95 0 - 9.3-10.9 H LYS 94 - HB3 GLU 23 far 0 98 0 - 9.8-11.1 Violated in 0 structures by 0.00 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 3.0-3.0 3.0=100 HA LYS 13 + HB3 GLU 16 OK 60 94 70 92 2.8-5.0 493/1.8=60, 494=45...(7) HA MET 1 - HB3 GLN 50 far 0 64 0 - 5.7-8.9 HA GLU 99 - HB3 GLU 95 far 0 53 0 - 5.7-8.9 HA LYS 73 - HB3 GLU 69 far 0 46 0 - 5.8-6.6 HA LYS 47 - HB3 GLN 50 far 0 67 0 - 6.8-9.1 HA GLN 72 - HB3 GLU 69 far 0 60 0 - 6.8-7.9 HA LYS 73 - HB2 GLU 69 far 0 46 0 - 7.0-7.8 HA GLN 72 - HB2 GLU 69 far 0 60 0 - 7.5-8.4 HA GLU 62 - HB2 GLU 69 far 0 46 0 - 7.9-9.7 HA GLU 62 - HB3 GLU 69 far 0 46 0 - 9.3-10.7 HA GLU 104 - HB3 GLU 95 far 0 56 0 - 9.7-17.0 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 24 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 far 0 33 0 - 4.5-6.4 QE MET 21 - HB3 GLU 23 far 0 98 0 - 5.3-6.3 HB3 GLU 35 - HB2 GLU 69 far 0 61 0 - 5.8-9.3 HB2 PRO 86 - HB3 GLU 16 far 0 64 0 - 5.9-9.9 HB2 MET 21 - HB3 GLU 23 far 0 65 0 - 6.3-6.9 QE MET 21 - HB3 GLU 95 far 0 63 0 - 6.3-8.8 HB3 PRO 86 - HB3 GLU 16 far 0 86 0 - 6.4-10.3 HB3 GLU 35 - HB3 GLU 69 far 0 61 0 - 7.4-10.9 HB3 LEU 38 - HB2 GLU 69 far 0 57 0 - 7.6-10.8 HG3 GLU 104 - HB3 GLU 95 far 0 63 0 - 8.1-18.2 HB2 GLU 16 - HB3 GLU 23 far 0 99 0 - 8.2-11.2 HB2 MET 21 - HB3 GLU 16 far 0 58 0 - 8.3-10.7 HB3 GLU 88 - HB3 GLU 95 far 0 64 0 - 8.3-11.0 HB2 MET 21 - HB3 GLU 95 far 0 36 0 - 8.5-11.8 HB2 MET 74 - HB3 GLU 69 far 0 47 0 - 8.8-11.1 HG2 GLU 28 - HB3 GLU 23 far 0 88 0 - 8.9-12.0 HB2 LEU 64 - HB2 GLU 69 far 0 45 0 - 8.9-10.3 HB2 MET 74 - HB2 GLU 69 far 0 47 0 - 9.0-11.2 HB3 LEU 38 - HB3 GLU 69 far 0 57 0 - 9.1-12.4 HG3 GLU 28 - HB3 GLU 23 far 0 88 0 - 9.4-11.8 HB3 GLU 62 - HB2 GLU 69 far 0 62 0 - 9.7-11.4 QE MET 21 - HB3 GLU 16 far 0 91 0 - 9.7-11.1 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 2.2-3.0 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 2.3-3.0 2.9=93, 4302/1.8=79...(11) HB2 GLU 48 - HB3 GLN 50 poor 12 47 25 - 3.0-5.4 HG2 GLU 17 - HB3 GLU 16 poor 8 76 40 26 3.1-7.1 6257/6251=23, 1038=2, 1.8/2294=2 HB3 GLN 72 - HB3 GLU 69 far 0 35 0 - 4.1-5.3 HB3 GLN 72 - HB2 GLU 69 far 0 35 0 - 4.8-6.1 HG3 GLU 62 - HB2 GLU 69 far 0 61 0 - 7.8-10.6 HG2 GLU 62 - HB2 GLU 69 far 0 61 0 - 7.9-10.4 HG2 GLU 23 - HB3 GLU 16 far 0 95 0 - 8.1-11.8 HD3 ARG 81 - HB3 GLU 95 far 0 34 0 - 8.4-12.2 HG3 GLU 62 - HB3 GLU 69 far 0 61 0 - 9.1-11.7 HG2 GLU 62 - HB3 GLU 69 far 0 61 0 - 9.2-12.0 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 2.2-3.0 2.9=100 HG3 GLU 95 + HB3 GLU 95 OK 38 38 100 100 2.3-3.0 2.9=100 HG3 GLU 98 - HB3 GLU 95 far 0 59 0 - 4.7-7.5 HD2 ARG 91 - HB3 GLU 95 far 0 66 0 - 5.6-9.1 HG2 MET 74 - HB3 GLU 69 far 0 32 0 - 7.2-8.9 HG2 MET 74 - HB2 GLU 69 far 0 32 0 - 7.3-9.0 HG3 GLU 23 - HB3 GLU 16 far 0 95 0 - 8.7-12.1 Violated in 0 structures by 0.00 A. Peak 1034 from cnoeabs.peaks (7.57, 2.15, 29.16 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 24 + HB3 GLU 23 OK 100 100 100 100 2.5-3.0 6377/3.0=68...(10) H LEU 14 - HB3 GLU 16 far 0 83 0 - 5.1-7.3 H ILE 76 - HB3 GLU 69 far 0 57 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1035 from cnoeabs.peaks (8.28, 2.27, 36.23 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 23 + HG2 GLU 23 OK 100 100 100 100 1.9-3.1 6367=94, 1042/1.8=85...(10) H LYS 94 - HG2 GLU 95 far 8 83 10 - 4.4-6.7 H LEU 27 - HG2 GLU 23 far 7 68 10 - 4.6-6.4 H LEU 103 - HG2 GLU 95 far 0 83 0 - 9.0-14.4 H LYS 94 - HG2 GLU 23 far 0 98 0 - 9.7-11.8 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 10 assignments used, quality = 1.00: * HA GLU 23 + HG2 GLU 23 OK 100 100 100 100 2.3-3.5 1016=89, 1043/1.8=62...(13) HA GLU 62 + HG2 GLU 62 OK 39 41 100 95 2.2-3.9 4.0=56, 2728/1.8=26...(20) HA GLU 62 + HG3 GLU 62 OK 39 41 100 95 2.4-3.4 4.0=56, 2728/1.8=26...(20) HA LYS 13 + HG3 GLU 16 OK 36 48 100 75 2.2-4.0 493/3.0=45, 6226/6240=28...(7) HA LYS 13 - HG2 GLU 17 poor 11 53 20 - 3.7-6.2 HB2 SER 59 - HG2 GLU 63 far 0 53 0 - 4.7-7.9 HA GLU 62 - HG2 GLU 63 far 0 42 0 - 5.2-7.2 HA GLU 99 - HG2 GLU 95 far 0 71 0 - 6.2-8.8 HB2 SER 59 - HG2 GLU 62 far 0 52 0 - 9.0-12.6 HA GLU 104 - HG2 GLU 95 far 0 75 0 - 9.9-17.6 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 34 assignments used, quality = 0.99: * HB2 GLU 23 + HG2 GLU 23 OK 93 100 100 93 2.6-3.0 2.9=73, 3.0/1016=30...(11) HB3 GLU 62 + HG3 GLU 62 OK 47 55 100 85 2.3-3.0 2.9=70, 7007/4.9=15...(9) HB3 GLU 62 + HG2 GLU 62 OK 47 55 100 85 2.4-3.0 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=27...(14) HB3 PRO 86 - HG2 GLU 17 poor 19 47 40 - 2.0-5.5 HB3 GLU 62 - HG2 GLU 63 far 6 56 10 - 3.3-7.3 HB2 PRO 86 - HG2 GLU 17 far 5 32 15 - 2.6-5.6 HB2 GLU 16 - HG2 GLU 17 far 3 51 5 - 3.1-6.8 HB2 PRO 86 - HG3 GLU 16 far 0 29 0 - 5.5-9.3 HB2 LEU 64 - HG2 GLU 63 far 0 41 0 - 5.7-7.1 HB2 MET 21 - HG2 GLU 23 far 0 65 0 - 5.8-8.1 HB3 PRO 86 - HG3 GLU 16 far 0 42 0 - 5.8-9.4 QE MET 21 - HG2 GLU 23 far 0 98 0 - 5.9-7.5 HG2 GLU 28 - HG2 GLU 23 far 0 88 0 - 6.3-10.9 HB2 LEU 64 - HG3 GLU 62 far 0 40 0 - 6.7-8.2 HB3 GLU 35 - HG2 GLU 63 far 0 56 0 - 6.8-10.3 HB3 GLU 35 - HG2 GLU 62 far 0 54 0 - 6.9-10.3 HB2 LEU 64 - HG2 GLU 62 far 0 40 0 - 7.0-8.5 HB3 GLU 35 - HG3 GLU 62 far 0 54 0 - 7.0-11.4 QE MET 21 - HG2 GLU 95 far 0 83 0 - 7.1-8.6 HG3 GLU 104 - HG2 GLU 95 far 0 83 0 - 7.2-18.6 HB2 MET 21 - HG2 GLU 17 far 0 29 0 - 7.2-9.5 HG3 GLU 28 - HG2 GLU 23 far 0 88 0 - 7.7-10.6 HB2 GLU 16 - HG2 GLU 23 far 0 99 0 - 7.9-10.7 HB3 LEU 38 - HG2 GLU 63 far 0 52 0 - 8.1-11.4 HB3 GLU 88 - HG2 GLU 95 far 0 85 0 - 8.3-12.5 HB2 MET 21 - HG3 GLU 16 far 0 26 0 - 8.3-12.6 HB2 MET 21 - HG2 GLU 95 far 0 51 0 - 8.4-11.9 QE MET 21 - HG2 GLU 17 far 0 51 0 - 8.5-10.0 HB3 LEU 38 - HG3 GLU 62 far 0 50 0 - 9.2-14.2 HB3 GLU 88 - HG2 GLU 17 far 0 52 0 - 9.3-12.9 HB VAL 83 - HG2 GLU 17 far 0 39 0 - 9.4-12.2 QE MET 21 - HG3 GLU 16 far 0 46 0 - 9.7-12.4 HB3 LEU 38 - HG2 GLU 62 far 0 50 0 - 10.0-13.3 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 16 assignments used, quality = 0.99: * HB3 GLU 23 + HG2 GLU 23 OK 95 100 100 95 2.2-3.0 2.9=74, 1.8/1024=34...(13) HB3 GLU 95 + HG2 GLU 95 OK 77 86 100 89 2.3-3.0 2.9=72, 7540/7541=24...(8) HB3 GLU 16 + HG3 GLU 16 OK 43 46 100 93 2.2-3.0 3.0=65, 1.8/1024=25...(15) HB2 PRO 86 - HG2 GLU 17 far 5 31 15 - 2.6-5.6 HB3 GLU 16 - HG2 GLU 17 poor 5 51 40 22 3.1-7.1 710/6257=18, 2294/1.8=3, 1032=2 HB2 PRO 86 - HG3 GLU 16 far 0 28 0 - 5.5-9.3 HG2 GLU 69 - HG3 GLU 62 far 0 39 0 - 7.1-10.0 HG2 GLU 69 - HG2 GLU 62 far 0 39 0 - 7.1-10.7 HB2 GLU 69 - HG3 GLU 62 far 0 39 0 - 7.8-10.6 HB2 GLU 69 - HG2 GLU 62 far 0 39 0 - 7.9-10.4 HG2 GLU 104 - HG2 GLU 95 far 0 86 0 - 8.0-17.3 HB3 GLU 16 - HG2 GLU 23 far 0 98 0 - 8.1-11.8 HB3 GLU 69 - HG3 GLU 62 far 0 39 0 - 9.1-11.7 HB3 GLU 69 - HG2 GLU 62 far 0 39 0 - 9.2-12.0 HG2 GLU 88 - HG2 GLU 95 far 0 83 0 - 9.2-13.5 HG2 GLU 88 - HG2 GLU 17 far 0 51 0 - 9.2-13.9 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 15 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 6 41 15 - 3.0-7.8 HG3 GLU 98 - HG2 GLU 95 far 0 78 0 - 3.3-8.3 HG3 GLU 63 - HG3 GLU 62 far 0 41 0 - 4.5-8.2 HB2 ASP 61 - HG3 GLU 62 far 0 47 0 - 4.8-7.9 HD2 ARG 91 - HG2 GLU 95 far 0 86 0 - 5.2-8.1 HB2 ASP 61 - HG2 GLU 62 far 0 47 0 - 5.3-7.7 HB2 ASP 87 - HG2 GLU 17 far 0 53 0 - 6.4-11.0 HB3 ASP 87 - HG2 GLU 17 far 0 53 0 - 6.5-10.3 HB2 ASP 61 - HG2 GLU 63 far 0 48 0 - 6.5-9.1 HG3 GLU 23 - HG3 GLU 16 far 0 50 0 - 9.5-13.0 HG3 GLU 23 - HG2 GLU 17 far 0 54 0 - 9.8-14.6 HB3 ASP 87 - HG2 GLU 95 far 0 85 0 - 9.9-13.1 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 3.9-4.7 6380=100, 6377/1016=84...(8) H LEU 14 + HG2 GLU 17 OK 33 44 80 93 5.1-6.3 ~8478=47, 8418/1.8=34...(11) H LEU 14 + HG3 GLU 16 OK 22 40 85 63 4.4-6.3 6204/6240=48...(5) H GLU 88 - HG2 GLU 17 far 0 54 0 - 6.8-10.3 HD22 ASN 10 - HG2 GLU 63 far 0 35 0 - 8.2-12.8 H GLU 88 - HG2 GLU 95 far 0 87 0 - 10.0-13.2 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 3 assignments used, quality = 1.00: * H GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.1-3.6 6368=90, 6366/2.9=63...(15) H LEU 27 - HG3 GLU 23 far 0 68 0 - 4.7-6.7 H LYS 94 - HG3 GLU 98 far 0 69 0 - 6.2-8.3 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 4 assignments used, quality = 1.00: * HA GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.1-3.6 1017=80, 1016/1.8=77...(22) HA GLU 99 - HG3 GLU 98 far 0 58 0 - 4.6-6.8 HB2 SER 59 - HG3 GLU 63 far 0 53 0 - 4.7-7.2 HA GLU 62 - HG3 GLU 63 far 0 42 0 - 5.1-7.0 Violated in 3 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (2.09, 2.49, 36.23 ppm; 3.02 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 GLU 62 - HG3 GLU 63 far 0 56 0 - 4.4-6.9 QE MET 21 - HG3 GLU 98 far 0 69 0 - 5.6-7.3 HB2 LEU 64 - HG3 GLU 63 far 0 41 0 - 5.9-6.9 QE MET 21 - HG3 GLU 23 far 0 98 0 - 5.9-7.9 HB2 MET 21 - HG3 GLU 23 far 0 65 0 - 6.0-8.8 HB3 GLU 35 - HG3 GLU 63 far 0 56 0 - 6.6-10.8 HG3 GLU 28 - HG3 GLU 23 far 0 88 0 - 6.7-11.0 HG2 GLU 28 - HG3 GLU 23 far 0 88 0 - 7.1-9.8 HB2 GLU 16 - HG3 GLU 23 far 0 99 0 - 7.2-11.9 HB3 LEU 38 - HG3 GLU 63 far 0 52 0 - 8.7-11.2 HB2 MET 21 - HG3 GLU 98 far 0 41 0 - 8.9-12.4 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 3 assignments used, quality = 1.00: * HB3 GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLU 95 - HG3 GLU 98 far 0 72 0 - 4.7-7.5 HB3 GLU 16 - HG3 GLU 23 far 0 98 0 - 8.7-12.1 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 7 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 poor 14 55 25 - 3.0-7.8 HG2 GLU 95 - HG3 GLU 98 far 4 73 5 - 3.3-8.3 HG3 GLU 62 - HG3 GLU 63 far 0 55 0 - 4.5-8.2 HG3 GLU 16 - HG3 GLU 23 far 0 81 0 - 9.5-13.0 HG2 GLU 17 - HG3 GLU 23 far 0 84 0 - 9.8-14.6 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 3.9-5.0 6380/1.8=87, 1034/2.9=83...(8) HD22 ASN 10 - HG3 GLU 63 far 0 35 0 - 7.7-12.4 H LYS 24 - HG3 GLU 98 far 0 73 0 - 9.9-12.0 Violated in 4 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 - 6.2-7.8 H GLU 44 - HA ARG 46 far 0 45 0 - 6.7-7.0 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 16 assignments used, quality = 1.00: HB3 LYS 24 + HA LYS 24 OK 99 100 100 99 2.3-3.0 3.0=74, 2.9/1096=32...(30) * HB2 LYS 24 + HA LYS 24 OK 99 100 100 99 2.3-3.0 3.0=74, 2.9/1096=32...(30) HB3 ARG 46 + HA ARG 46 OK 62 64 100 96 2.3-3.0 3.0=76, 6750/3.0=21...(21) HB2 ARG 46 + HA ARG 46 OK 58 60 100 96 2.2-3.0 3.0=76, 6749/3.0=20...(21) HB3 LYS 47 - HA ARG 46 far 0 32 0 - 5.5-5.9 QE MET 74 - HA ARG 46 far 0 31 0 - 5.5-7.4 HB3 MET 74 - HA ARG 46 far 0 64 0 - 6.0-7.8 HB2 LYS 47 - HA ARG 46 far 0 63 0 - 6.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 81 0 - 7.2-8.7 HB2 LYS 73 - HA LYS 66 far 0 67 0 - 7.3-8.7 HB2 GLU 44 - HA ARG 46 far 0 32 0 - 7.5-8.3 HB3 GLU 44 - HA ARG 46 far 0 32 0 - 7.6-8.7 HB3 LYS 73 - HA LYS 66 far 0 67 0 - 8.7-10.0 QE MET 74 - HA LYS 66 far 0 33 0 - 8.7-10.1 QE MET 1 - HA ARG 46 far 0 59 0 - 9.6-12.0 HB3 ARG 19 - HA LYS 24 far 0 71 0 - 9.9-11.8 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 16 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 99 100 100 99 2.3-3.0 3.0=74, 2.9/1096=32...(30) HB2 LYS 24 + HA LYS 24 OK 99 100 100 99 2.3-3.0 3.0=74, 2.9/1096=32...(30) HB3 ARG 46 + HA ARG 46 OK 62 64 100 96 2.3-3.0 3.0=76, 6750/3.0=21...(21) HB2 ARG 46 + HA ARG 46 OK 58 60 100 96 2.2-3.0 3.0=76, 6749/3.0=20...(21) HB3 LYS 47 - HA ARG 46 far 0 32 0 - 5.5-5.9 QE MET 74 - HA ARG 46 far 0 31 0 - 5.5-7.4 HB3 MET 74 - HA ARG 46 far 0 64 0 - 6.0-7.8 HB2 LYS 47 - HA ARG 46 far 0 63 0 - 6.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 81 0 - 7.2-8.7 HB2 LYS 73 - HA LYS 66 far 0 67 0 - 7.3-8.7 HB2 GLU 44 - HA ARG 46 far 0 32 0 - 7.5-8.3 HB3 GLU 44 - HA ARG 46 far 0 32 0 - 7.6-8.7 HB3 LYS 73 - HA LYS 66 far 0 67 0 - 8.7-10.0 QE MET 74 - HA LYS 66 far 0 33 0 - 8.7-10.1 QE MET 1 - HA ARG 46 far 0 59 0 - 9.6-12.0 HB3 ARG 19 - HA LYS 24 far 0 71 0 - 9.9-11.8 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 9 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 3.2-3.9 3.7=99, 1.8/1096=77...(51) HD2 LYS 66 + HA LYS 66 OK 61 61 100 100 2.9-4.5 1.8/2942=64, 5.1=37...(46) HG3 LYS 47 - HA ARG 46 far 0 35 0 - 4.9-6.7 HG3 LYS 73 - HA LYS 66 far 0 64 0 - 7.0-8.8 HG LEU 27 - HA LYS 24 far 0 98 0 - 7.2-7.8 HD3 LYS 94 - HA LYS 24 far 0 98 0 - 8.4-12.7 HG2 ARG 19 - HA LYS 24 far 0 100 0 - 8.7-12.3 HD2 LYS 94 - HA LYS 24 far 0 61 0 - 9.1-11.9 HB3 LEU 29 - HA LYS 24 far 0 99 0 - 9.7-11.0 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 2.0-3.9 1096=90, 6386/3.0=40...(42) HG3 LYS 66 + HA LYS 66 OK 61 61 100 100 3.3-3.8 3.7=76, 2.9/2942=42...(29) HG2 LYS 66 + HA LYS 66 OK 59 60 100 100 2.1-3.4 3.7=76, 2.9/2942=42...(30) HG2 LYS 47 - HA ARG 46 far 0 56 0 - 5.1-7.0 HG2 LYS 73 - HA LYS 66 far 0 60 0 - 6.6-9.7 HG LEU 64 - HA LYS 66 far 0 47 0 - 6.9-7.3 HG LEU 2 - HA ARG 46 far 0 63 0 - 8.2-10.1 HB3 LEU 64 - HA LYS 66 far 0 59 0 - 8.2-8.6 HG12 ILE 56 - HA LYS 66 far 0 53 0 - 9.8-11.3 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 13 assignments used, quality = 1.00: HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-4.1 3.0/1096=51, 1118=43...(75) * HD2 LYS 24 + HA LYS 24 OK 95 100 95 100 2.0-4.6 3.0/1096=51, 1118=41...(73) HD3 LYS 66 + HA LYS 66 OK 66 67 100 100 1.8-3.7 2942=73, 2943/3.0=50...(47) HG LEU 70 + HA LYS 66 OK 43 67 80 79 3.2-4.8 3150/7139=23...(12) HB3 LEU 70 - HA LYS 66 far 0 57 0 - 4.6-7.3 HB ILE 52 - HA ARG 46 far 0 48 0 - 5.4-6.9 HD3 LYS 73 - HA LYS 66 far 0 45 0 - 5.7-10.2 HD2 LYS 73 - HA LYS 66 far 0 47 0 - 6.1-10.6 HD2 LYS 47 - HA ARG 46 far 0 58 0 - 6.4-8.0 HD3 LYS 47 - HA ARG 46 far 0 59 0 - 6.5-7.9 HG3 LYS 20 - HA LYS 24 far 0 91 0 - 7.5-9.9 HD3 LYS 20 - HA LYS 24 far 0 91 0 - 7.8-11.3 HD2 LYS 20 - HA LYS 24 far 0 94 0 - 8.4-11.6 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 13 assignments used, quality = 1.00: * HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-4.1 3.0/1096=51, 1118=43...(75) HD2 LYS 24 + HA LYS 24 OK 95 100 95 100 2.0-4.6 3.0/1096=51, 1118=41...(73) HD3 LYS 66 + HA LYS 66 OK 67 67 100 100 1.8-3.7 2942=73, 2943/3.0=50...(47) HG LEU 70 + HA LYS 66 OK 43 67 80 79 3.2-4.8 3150/7139=23...(12) HB3 LEU 70 - HA LYS 66 far 0 58 0 - 4.6-7.3 HB ILE 52 - HA ARG 46 far 0 47 0 - 5.4-6.9 HD3 LYS 73 - HA LYS 66 far 0 44 0 - 5.7-10.2 HD2 LYS 73 - HA LYS 66 far 0 46 0 - 6.1-10.6 HD2 LYS 47 - HA ARG 46 far 0 57 0 - 6.4-8.0 HD3 LYS 47 - HA ARG 46 far 0 58 0 - 6.5-7.9 HG3 LYS 20 - HA LYS 24 far 0 90 0 - 7.5-9.9 HD3 LYS 20 - HA LYS 24 far 0 90 0 - 7.8-11.3 HD2 LYS 20 - HA LYS 24 far 0 93 0 - 8.4-11.6 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 9 assignments used, quality = 1.00: HE3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-5.0 3.7/1096=76...(66) * HE2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-5.1 3.7/1096=76...(66) HB3 PHE 45 + HA ARG 46 OK 59 64 100 93 4.5-4.9 6744/3.0=43, ~6743=32...(13) HB2 PHE 45 + HA ARG 46 OK 50 53 100 96 4.1-4.4 6744/3.0=43...(14) HE3 LYS 47 - HA ARG 46 far 9 60 15 - 5.0-9.2 HE2 LYS 47 - HA ARG 46 far 6 60 10 - 5.2-9.2 HE2 LYS 73 - HA LYS 66 far 0 64 0 - 6.4-10.5 HE3 LYS 73 - HA LYS 66 far 0 60 0 - 6.8-10.4 HG2 MET 21 - HA LYS 24 far 0 90 0 - 7.5-9.2 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 9 assignments used, quality = 1.00: * HE3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-5.0 3.7/1096=76...(66) HE2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-5.1 3.7/1096=76...(66) HB3 PHE 45 + HA ARG 46 OK 59 64 100 93 4.5-4.9 6744/3.0=43, ~6743=32...(13) HB2 PHE 45 + HA ARG 46 OK 50 53 100 96 4.1-4.4 6744/3.0=43...(14) HE3 LYS 47 - HA ARG 46 far 9 60 15 - 5.0-9.2 HE2 LYS 47 - HA ARG 46 far 6 60 10 - 5.2-9.2 HE2 LYS 73 - HA LYS 66 far 0 64 0 - 6.4-10.5 HE3 LYS 73 - HA LYS 66 far 0 60 0 - 6.8-10.4 HG2 MET 21 - HA LYS 24 far 0 90 0 - 7.5-9.2 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 6 assignments used, quality = 1.00: * H ALA 25 + HA LYS 24 OK 100 100 100 100 3.4-3.4 3.6=100 H SER 49 + HA ARG 46 OK 37 58 95 67 3.3-5.2 6795/10188=21...(8) H LEU 64 - HA LYS 66 far 0 66 0 - 6.6-7.3 H MET 21 - HA LYS 24 far 0 84 0 - 7.0-7.8 H MET 74 - HA ARG 46 far 0 35 0 - 8.5-9.9 H MET 74 - HA LYS 66 far 0 37 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1060 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.30 A): 3 out of 12 assignments used, quality = 0.85: HA MET 21 + HB3 LYS 24 OK 58 100 65 89 2.3-5.1 11063/3.6=34...(11) * HA MET 21 + HB2 LYS 24 OK 49 100 55 89 3.2-5.1 11063/3.6=34...(11) HA MET 74 + HB3 LYS 73 OK 32 88 40 90 4.1-5.0 10859/3.0=34, 3329=21...(20) HA MET 21 - HB3 LYS 20 poor 17 58 35 84 4.0-5.6 3.0/6325=36, ~6324=27...(11) HA ALA 25 - HB3 LYS 24 far 0 100 0 - 4.2-5.2 HA ALA 25 - HB2 LYS 24 far 0 100 0 - 4.3-5.7 HA GLU 48 - HB2 LYS 47 far 0 61 0 - 4.3-4.8 HA MET 74 - HB2 LYS 73 far 0 89 0 - 4.5-5.7 HA ILE 76 - HB2 LYS 73 far 0 82 0 - 9.3-10.4 HA GLN 50 - HB2 LYS 47 far 0 65 0 - 9.3-10.8 HA ILE 76 - HB3 LYS 73 far 0 82 0 - 9.6-10.5 HA ALA 25 - HB3 LYS 20 far 0 58 0 - 9.9-11.2 Violated in 8 structures by 0.04 A. Peak 1061 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: H LYS 24 + HB3 LYS 24 OK 98 100 100 98 2.1-3.6 4.0=41, 6385/2.9=35...(25) * H LYS 24 + HB2 LYS 24 OK 98 100 100 98 2.1-3.6 4.0=41, 6385/2.9=35...(25) H LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-6.4 H ILE 76 - HB2 LYS 73 far 0 86 0 - 6.4-7.5 H ILE 76 - HB3 LYS 73 far 0 85 0 - 6.8-7.8 H GLU 44 - HB2 LYS 47 far 0 49 0 - 7.5-8.5 H LEU 14 - HB3 LYS 20 far 0 47 0 - 9.6-11.4 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 7 assignments used, quality = 1.00: HA LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=87, 1096/2.9=36...(32) * HA LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=87, 1096/2.9=36...(32) HA ARG 46 - HB2 LYS 47 far 0 50 0 - 6.5-6.6 HA LYS 24 - HB3 LYS 20 far 0 58 0 - 7.2-8.7 HA LYS 66 - HB2 LYS 73 far 0 75 0 - 7.3-8.7 HA PRO 86 - HB3 LYS 20 far 0 55 0 - 8.7-11.8 HA LYS 66 - HB3 LYS 73 far 0 75 0 - 8.7-10.0 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 25 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-2.8 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...(70) HG2 ARG 19 - HB3 LYS 20 far 0 58 0 - 4.0-7.7 HG3 LYS 90 - HB3 LYS 20 far 0 58 0 - 4.7-9.4 HG2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.2-7.4 HD3 LYS 94 - HB2 LYS 24 far 0 98 0 - 5.5-10.6 HD3 LYS 94 - HB3 LYS 24 far 0 98 0 - 6.4-9.9 HD2 LYS 94 - HB2 LYS 24 far 0 61 0 - 6.4-9.9 HD2 LYS 94 - HB3 LYS 24 far 0 61 0 - 6.4-9.9 HG LEU 27 - HB2 LYS 24 far 0 98 0 - 6.9-8.9 HG3 LYS 90 - HB3 LYS 24 far 0 100 0 - 7.1-11.7 HG LEU 27 - HB3 LYS 24 far 0 98 0 - 7.2-8.6 HG2 ARG 19 - HB2 LYS 24 far 0 100 0 - 7.8-12.9 HB3 LEU 29 - HB3 LYS 20 far 0 55 0 - 7.9-9.2 HG3 LYS 90 - HB2 LYS 24 far 0 100 0 - 8.0-12.0 HD2 LYS 66 - HB2 LYS 73 far 0 84 0 - 8.3-12.5 HD3 LYS 94 - HB3 LYS 20 far 0 54 0 - 9.0-13.2 HB3 LEU 29 - HB3 LYS 24 far 0 99 0 - 9.0-11.8 HD2 LYS 66 - HB3 LYS 73 far 0 84 0 - 9.2-13.8 HG2 ARG 19 - HB3 LYS 24 far 0 100 0 - 9.3-13.0 HD2 LYS 94 - HB3 LYS 20 far 0 29 0 - 9.7-12.8 HB3 LEU 29 - HB2 LYS 24 far 0 99 0 - 9.8-12.0 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 12 assignments used, quality = 1.00: HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 * HG3 LYS 24 + HB2 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 2.2-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.4-3.0 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 - 4.4-8.7 HG LEU 2 - HB2 LYS 47 far 0 68 0 - 7.8-10.7 HG2 LYS 66 - HB2 LYS 73 far 0 82 0 - 8.7-11.5 HG3 LYS 66 - HB2 LYS 73 far 0 84 0 - 9.4-11.7 HG3 LYS 13 - HB3 LYS 20 far 0 55 0 - 9.8-13.5 HG2 LYS 66 - HB3 LYS 73 far 0 82 0 - 9.9-12.7 HB2 ARG 91 - HB3 LYS 20 far 0 46 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1067 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 13 out of 36 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 94 100 95 99 2.5-3.8 3.6=53, 1107/3.0=17...(119) HD2 LYS 24 + HB3 LYS 24 OK 89 100 90 99 2.5-3.9 3.6=53, 1107/3.0=17...(120) HD3 LYS 24 + HB2 LYS 24 OK 74 100 75 99 2.4-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 73 + HB3 LYS 73 OK 66 67 100 99 2.1-3.5 3.6=51, 3298/2.9=13...(125) HD3 LYS 73 + HB3 LYS 73 OK 63 64 100 99 2.0-3.8 3.6=51, 3298/2.9=13...(134) HD2 LYS 73 + HB2 LYS 73 OK 57 68 85 99 2.3-4.2 3.6=51, 3298/2.9=13...(132) HD3 LYS 24 + HB3 LYS 24 OK 55 100 55 99 2.1-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 47 + HB2 LYS 47 OK 50 63 80 99 2.2-3.8 3.9=38, 6775/4.0=11...(125) HD3 LYS 73 + HB2 LYS 73 OK 48 64 75 99 2.8-4.2 3.6=51, 3298/2.9=13...(140) HD3 LYS 47 + HB2 LYS 47 OK 47 64 75 99 3.1-4.0 3.9=38, 6775/4.0=11...(132) HG3 LYS 20 + HB3 LYS 20 OK 46 47 100 99 2.2-3.0 3.0=92, 893/4.0=20...(45) HD3 LYS 20 + HB3 LYS 20 OK 45 47 100 97 2.0-3.7 3.5=54, ~848=10...(78) HD2 LYS 20 + HB3 LYS 20 OK 38 50 80 96 2.0-4.2 3.5=54, ~848=10...(77) HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.1-9.3 HB3 LEU 70 - HB2 LYS 73 far 0 79 0 - 4.2-6.8 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 91 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 78 0 - 5.2-8.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 5.5-10.1 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 91 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 91 0 - 6.5-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 91 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 94 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 94 0 - 7.4-10.9 HB ILE 52 - HB2 LYS 47 far 0 53 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 7.7-11.8 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 8.3-13.1 HD3 LYS 13 - HB3 LYS 20 far 0 56 0 - 8.5-13.4 HD3 LYS 66 - HB3 LYS 73 far 0 89 0 - 8.7-13.2 HB ILE 15 - HB3 LYS 20 far 0 33 0 - 8.9-10.6 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1068 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 13 out of 36 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 94 100 95 99 2.5-3.8 3.6=53, 1107/3.0=17...(119) HD2 LYS 24 + HB3 LYS 24 OK 89 100 90 99 2.5-3.9 3.6=53, 1107/3.0=17...(120) * HD3 LYS 24 + HB2 LYS 24 OK 74 100 75 99 2.4-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 73 + HB3 LYS 73 OK 65 65 100 99 2.1-3.5 3.6=51, 3298/2.9=13...(125) HD3 LYS 73 + HB3 LYS 73 OK 62 62 100 99 2.0-3.8 3.6=51, 3298/2.9=13...(134) HD2 LYS 73 + HB2 LYS 73 OK 56 66 85 99 2.3-4.2 3.6=51, 3298/2.9=13...(132) HD3 LYS 24 + HB3 LYS 24 OK 55 100 55 99 2.1-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 47 + HB2 LYS 47 OK 49 62 80 99 2.2-3.8 3.9=38, 6775/4.0=11...(125) HD3 LYS 47 + HB2 LYS 47 OK 47 63 75 99 3.1-4.0 3.9=38, 6775/4.0=11...(132) HD3 LYS 73 + HB2 LYS 73 OK 47 63 75 99 2.8-4.2 3.6=51, 3298/2.9=13...(140) HG3 LYS 20 + HB3 LYS 20 OK 45 46 100 99 2.2-3.0 3.0=92, 893/4.0=20...(45) HD3 LYS 20 + HB3 LYS 20 OK 44 46 100 97 2.0-3.7 3.5=54, ~848=10...(78) HD2 LYS 20 + HB3 LYS 20 OK 38 49 80 96 2.0-4.2 3.5=54, ~848=10...(77) HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.1-9.3 HB3 LEU 70 - HB2 LYS 73 far 0 80 0 - 4.2-6.8 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 90 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 80 0 - 5.2-8.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 5.5-10.1 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 90 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 90 0 - 6.5-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 90 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 93 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 93 0 - 7.4-10.9 HB ILE 52 - HB2 LYS 47 far 0 52 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 7.7-11.8 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 8.3-13.1 HD3 LYS 13 - HB3 LYS 20 far 0 57 0 - 8.5-13.4 HD3 LYS 66 - HB3 LYS 73 far 0 90 0 - 8.7-13.2 HB ILE 15 - HB3 LYS 20 far 0 34 0 - 8.9-10.6 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.9-11.7 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 21 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 95 100 95 100 2.1-5.0 4.9=47, 12306/3.0=26...(118) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.1-4.6 4.9=49, 7211/4.1=13...(127) HE3 LYS 24 + HB3 LYS 24 OK 80 100 80 100 2.3-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.8 4.9=49, 7211/4.1=13...(122) HE3 LYS 24 + HB2 LYS 24 OK 75 100 75 100 2.2-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 24 + HB3 LYS 24 OK 70 100 70 100 2.1-5.5 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB2 LYS 73 OK 70 87 80 100 3.4-5.1 4.9=49, 7211/4.1=13...(132) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.6 4.9=49, 563/1.8=20...(130) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.4 4.9=49, 563/1.8=22...(130) HE3 LYS 73 + HB2 LYS 73 OK 58 83 70 100 3.3-5.2 4.9=49, 7211/4.1=13...(129) HG2 MET 21 - HB3 LYS 20 far 7 46 15 - 4.0-7.5 HE3 LYS 24 - HB3 LYS 20 far 6 58 10 - 4.3-9.9 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.9-10.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.5-9.9 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 7.8-8.5 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.0-8.7 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 9.3-12.7 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 21 assignments used, quality = 1.00: HE2 LYS 24 + HB2 LYS 24 OK 95 100 95 100 2.1-5.0 4.9=47, 12306/3.0=26...(118) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.1-4.6 4.9=49, 7211/4.1=13...(127) HE3 LYS 24 + HB3 LYS 24 OK 80 100 80 100 2.3-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.8 4.9=49, 7211/4.1=13...(122) * HE3 LYS 24 + HB2 LYS 24 OK 75 100 75 100 2.2-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 24 + HB3 LYS 24 OK 70 100 70 100 2.1-5.5 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB2 LYS 73 OK 70 87 80 100 3.4-5.1 4.9=49, 7211/4.1=13...(132) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.6 4.9=49, 563/1.8=20...(130) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.4 4.9=49, 563/1.8=22...(130) HE3 LYS 73 + HB2 LYS 73 OK 58 83 70 100 3.3-5.2 4.9=49, 7211/4.1=13...(129) HG2 MET 21 - HB3 LYS 20 far 7 46 15 - 4.0-7.5 HE3 LYS 24 - HB3 LYS 20 far 6 58 10 - 4.3-9.9 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.9-10.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.5-9.9 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 7.8-8.5 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.0-8.7 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 9.3-12.7 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 = 0.97: H ALA 25 + HB3 LYS 24 OK 68 100 70 97 3.1-4.3 6399=58, 6397/4.0=36...(15) * H ALA 25 + HB2 LYS 24 OK 53 100 55 96 3.1-4.3 6400/1.8=42, 6399=42...(15) H MET 74 + HB2 LYS 73 OK 47 54 100 87 2.7-4.1 4.6=34, 7213/4.1=23...(17) H MET 74 + HB3 LYS 73 OK 39 53 85 85 3.3-4.3 4.6=34, 7213/4.1=23...(14) H MET 21 + HB3 LYS 20 OK 38 42 100 90 2.3-4.0 6325=46, 6324/1.8=45...(11) H MET 21 - HB3 LYS 24 far 0 84 0 - 4.6-7.6 H SER 49 - HB2 LYS 47 far 0 63 0 - 5.0-6.6 H MET 21 - HB2 LYS 24 far 0 84 0 - 5.2-7.7 H ALA 25 - HB3 LYS 20 far 0 58 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.30 A): 3 out of 12 assignments used, quality = 0.85: * HA MET 21 + HB3 LYS 24 OK 58 100 65 89 2.3-5.1 11063/3.6=34...(11) HA MET 21 + HB2 LYS 24 OK 49 100 55 89 3.2-5.1 11063/3.6=34...(11) HA MET 74 + HB3 LYS 73 OK 32 88 40 90 4.1-5.0 10859/3.0=34, 3329=21...(20) HA MET 21 - HB3 LYS 20 poor 17 58 35 84 4.0-5.6 3.0/6325=36, ~6324=27...(11) HA ALA 25 - HB3 LYS 24 far 0 100 0 - 4.2-5.2 HA ALA 25 - HB2 LYS 24 far 0 100 0 - 4.3-5.7 HA GLU 48 - HB2 LYS 47 far 0 61 0 - 4.3-4.8 HA MET 74 - HB2 LYS 73 far 0 89 0 - 4.5-5.7 HA ILE 76 - HB2 LYS 73 far 0 82 0 - 9.3-10.4 HA GLN 50 - HB2 LYS 47 far 0 65 0 - 9.3-10.8 HA ILE 76 - HB3 LYS 73 far 0 82 0 - 9.6-10.5 HA ALA 25 - HB3 LYS 20 far 0 58 0 - 9.9-11.2 Violated in 8 structures by 0.04 A. Peak 1073 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 24 + HB3 LYS 24 OK 98 100 100 98 2.1-3.6 4.0=41, 6385/2.9=35...(25) H LYS 24 + HB2 LYS 24 OK 98 100 100 98 2.1-3.6 4.0=41, 6385/2.9=35...(25) H LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-6.4 H ILE 76 - HB2 LYS 73 far 0 86 0 - 6.4-7.5 H ILE 76 - HB3 LYS 73 far 0 85 0 - 6.8-7.8 H GLU 44 - HB2 LYS 47 far 0 49 0 - 7.5-8.5 H LEU 14 - HB3 LYS 20 far 0 47 0 - 9.6-11.4 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 7 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=87, 1096/2.9=36...(32) HA LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=87, 1096/2.9=36...(32) HA ARG 46 - HB2 LYS 47 far 0 50 0 - 6.5-6.6 HA LYS 24 - HB3 LYS 20 far 0 58 0 - 7.2-8.7 HA LYS 66 - HB2 LYS 73 far 0 75 0 - 7.3-8.7 HA PRO 86 - HB3 LYS 20 far 0 55 0 - 8.7-11.8 HA LYS 66 - HB3 LYS 73 far 0 75 0 - 8.7-10.0 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 25 assignments used, quality = 1.00: HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-2.8 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...(70) HG2 ARG 19 - HB3 LYS 20 far 0 58 0 - 4.0-7.7 HG3 LYS 90 - HB3 LYS 20 far 0 58 0 - 4.7-9.4 HG2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.2-7.4 HD3 LYS 94 - HB2 LYS 24 far 0 98 0 - 5.5-10.6 HD3 LYS 94 - HB3 LYS 24 far 0 98 0 - 6.4-9.9 HD2 LYS 94 - HB2 LYS 24 far 0 61 0 - 6.4-9.9 HD2 LYS 94 - HB3 LYS 24 far 0 61 0 - 6.4-9.9 HG LEU 27 - HB2 LYS 24 far 0 98 0 - 6.9-8.9 HG3 LYS 90 - HB3 LYS 24 far 0 100 0 - 7.1-11.7 HG LEU 27 - HB3 LYS 24 far 0 98 0 - 7.2-8.6 HG2 ARG 19 - HB2 LYS 24 far 0 100 0 - 7.8-12.9 HB3 LEU 29 - HB3 LYS 20 far 0 55 0 - 7.9-9.2 HG3 LYS 90 - HB2 LYS 24 far 0 100 0 - 8.0-12.0 HD2 LYS 66 - HB2 LYS 73 far 0 84 0 - 8.3-12.5 HD3 LYS 94 - HB3 LYS 20 far 0 54 0 - 9.0-13.2 HB3 LEU 29 - HB3 LYS 24 far 0 99 0 - 9.0-11.8 HD2 LYS 66 - HB3 LYS 73 far 0 84 0 - 9.2-13.8 HG2 ARG 19 - HB3 LYS 24 far 0 100 0 - 9.3-13.0 HD2 LYS 94 - HB3 LYS 20 far 0 29 0 - 9.7-12.8 HB3 LEU 29 - HB2 LYS 24 far 0 99 0 - 9.8-12.0 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 12 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HB2 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 2.2-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.4-3.0 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 - 4.4-8.7 HG LEU 2 - HB2 LYS 47 far 0 68 0 - 7.8-10.7 HG2 LYS 66 - HB2 LYS 73 far 0 82 0 - 8.7-11.5 HG3 LYS 66 - HB2 LYS 73 far 0 84 0 - 9.4-11.7 HG3 LYS 13 - HB3 LYS 20 far 0 55 0 - 9.8-13.5 HG2 LYS 66 - HB3 LYS 73 far 0 82 0 - 9.9-12.7 HB2 ARG 91 - HB3 LYS 20 far 0 46 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1079 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 13 out of 36 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 94 100 95 99 2.5-3.8 3.6=53, 1107/3.0=17...(119) * HD2 LYS 24 + HB3 LYS 24 OK 89 100 90 99 2.5-3.9 3.6=53, 1107/3.0=17...(120) HD3 LYS 24 + HB2 LYS 24 OK 74 100 75 99 2.4-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 73 + HB3 LYS 73 OK 66 67 100 99 2.1-3.5 3.6=51, 3298/2.9=13...(125) HD3 LYS 73 + HB3 LYS 73 OK 63 64 100 99 2.0-3.8 3.6=51, 3298/2.9=13...(134) HD2 LYS 73 + HB2 LYS 73 OK 57 68 85 99 2.3-4.2 3.6=51, 3298/2.9=13...(132) HD3 LYS 24 + HB3 LYS 24 OK 55 100 55 99 2.1-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 47 + HB2 LYS 47 OK 50 63 80 99 2.2-3.8 3.9=38, 6775/4.0=11...(125) HD3 LYS 73 + HB2 LYS 73 OK 48 64 75 99 2.8-4.2 3.6=51, 3298/2.9=13...(140) HD3 LYS 47 + HB2 LYS 47 OK 47 64 75 99 3.1-4.0 3.9=38, 6775/4.0=11...(132) HG3 LYS 20 + HB3 LYS 20 OK 46 47 100 99 2.2-3.0 3.0=92, 893/4.0=20...(45) HD3 LYS 20 + HB3 LYS 20 OK 45 47 100 97 2.0-3.7 3.5=54, ~848=10...(78) HD2 LYS 20 + HB3 LYS 20 OK 38 50 80 96 2.0-4.2 3.5=54, ~848=10...(77) HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.1-9.3 HB3 LEU 70 - HB2 LYS 73 far 0 79 0 - 4.2-6.8 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 91 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 78 0 - 5.2-8.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 5.5-10.1 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 91 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 91 0 - 6.5-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 91 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 94 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 94 0 - 7.4-10.9 HB ILE 52 - HB2 LYS 47 far 0 53 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 7.7-11.8 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 8.3-13.1 HD3 LYS 13 - HB3 LYS 20 far 0 56 0 - 8.5-13.4 HD3 LYS 66 - HB3 LYS 73 far 0 89 0 - 8.7-13.2 HB ILE 15 - HB3 LYS 20 far 0 33 0 - 8.9-10.6 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1080 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 13 out of 36 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 94 100 95 99 2.5-3.8 3.6=53, 1107/3.0=17...(119) HD2 LYS 24 + HB3 LYS 24 OK 89 100 90 99 2.5-3.9 3.6=53, 1107/3.0=17...(120) HD3 LYS 24 + HB2 LYS 24 OK 74 100 75 99 2.4-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 73 + HB3 LYS 73 OK 65 65 100 99 2.1-3.5 3.6=51, 3298/2.9=13...(125) HD3 LYS 73 + HB3 LYS 73 OK 62 62 100 99 2.0-3.8 3.6=51, 3298/2.9=13...(134) HD2 LYS 73 + HB2 LYS 73 OK 56 66 85 99 2.3-4.2 3.6=51, 3298/2.9=13...(132) * HD3 LYS 24 + HB3 LYS 24 OK 55 100 55 99 2.1-4.2 3.6=53, 1118/3.0=18...(123) HD2 LYS 47 + HB2 LYS 47 OK 49 62 80 99 2.2-3.8 3.9=38, 6775/4.0=11...(125) HD3 LYS 47 + HB2 LYS 47 OK 47 63 75 99 3.1-4.0 3.9=38, 6775/4.0=11...(132) HD3 LYS 73 + HB2 LYS 73 OK 47 63 75 99 2.8-4.2 3.6=51, 3298/2.9=13...(140) HG3 LYS 20 + HB3 LYS 20 OK 45 46 100 99 2.2-3.0 3.0=92, 893/4.0=20...(45) HD3 LYS 20 + HB3 LYS 20 OK 44 46 100 97 2.0-3.7 3.5=54, ~848=10...(78) HD2 LYS 20 + HB3 LYS 20 OK 38 49 80 96 2.0-4.2 3.5=54, ~848=10...(77) HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.1-9.3 HB3 LEU 70 - HB2 LYS 73 far 0 80 0 - 4.2-6.8 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 90 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 80 0 - 5.2-8.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 5.5-10.1 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 90 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 90 0 - 6.5-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 90 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 93 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 93 0 - 7.4-10.9 HB ILE 52 - HB2 LYS 47 far 0 52 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 7.7-11.8 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 8.3-13.1 HD3 LYS 13 - HB3 LYS 20 far 0 57 0 - 8.5-13.4 HD3 LYS 66 - HB3 LYS 73 far 0 90 0 - 8.7-13.2 HB ILE 15 - HB3 LYS 20 far 0 34 0 - 8.9-10.6 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.9-11.7 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 21 assignments used, quality = 1.00: HE2 LYS 24 + HB2 LYS 24 OK 95 100 95 100 2.1-5.0 4.9=47, 12306/3.0=26...(118) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.1-4.6 4.9=49, 7211/4.1=13...(127) HE3 LYS 24 + HB3 LYS 24 OK 80 100 80 100 2.3-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.8 4.9=49, 7211/4.1=13...(122) HE3 LYS 24 + HB2 LYS 24 OK 75 100 75 100 2.2-5.4 4.9=47, 12306/3.0=26...(118) * HE2 LYS 24 + HB3 LYS 24 OK 70 100 70 100 2.1-5.5 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB2 LYS 73 OK 70 87 80 100 3.4-5.1 4.9=49, 7211/4.1=13...(132) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.6 4.9=49, 563/1.8=20...(130) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.4 4.9=49, 563/1.8=22...(130) HE3 LYS 73 + HB2 LYS 73 OK 58 83 70 100 3.3-5.2 4.9=49, 7211/4.1=13...(129) HG2 MET 21 - HB3 LYS 20 far 7 46 15 - 4.0-7.5 HE3 LYS 24 - HB3 LYS 20 far 6 58 10 - 4.3-9.9 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.9-10.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.5-9.9 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 7.8-8.5 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.0-8.7 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 9.3-12.7 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 21 assignments used, quality = 1.00: HE2 LYS 24 + HB2 LYS 24 OK 95 100 95 100 2.1-5.0 4.9=47, 12306/3.0=26...(118) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.1-4.6 4.9=49, 7211/4.1=13...(127) * HE3 LYS 24 + HB3 LYS 24 OK 80 100 80 100 2.3-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.8 4.9=49, 7211/4.1=13...(122) HE3 LYS 24 + HB2 LYS 24 OK 75 100 75 100 2.2-5.4 4.9=47, 12306/3.0=26...(118) HE2 LYS 24 + HB3 LYS 24 OK 70 100 70 100 2.1-5.5 4.9=47, 12306/3.0=26...(118) HE2 LYS 73 + HB2 LYS 73 OK 70 87 80 100 3.4-5.1 4.9=49, 7211/4.1=13...(132) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.6 4.9=49, 563/1.8=20...(130) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.4 4.9=49, 563/1.8=22...(130) HE3 LYS 73 + HB2 LYS 73 OK 58 83 70 100 3.3-5.2 4.9=49, 7211/4.1=13...(129) HG2 MET 21 - HB3 LYS 20 far 7 46 15 - 4.0-7.5 HE3 LYS 24 - HB3 LYS 20 far 6 58 10 - 4.3-9.9 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.9-10.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.5-9.9 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 7.8-8.5 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.0-8.7 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 9.3-12.7 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 = 0.97: * H ALA 25 + HB3 LYS 24 OK 68 100 70 97 3.1-4.3 6399=58, 6397/4.0=36...(15) H ALA 25 + HB2 LYS 24 OK 53 100 55 96 3.1-4.3 6400/1.8=42, 6399=42...(15) H MET 74 + HB2 LYS 73 OK 47 54 100 87 2.7-4.1 4.6=34, 7213/4.1=23...(17) H MET 74 + HB3 LYS 73 OK 39 53 85 85 3.3-4.3 4.6=34, 7213/4.1=23...(14) H MET 21 + HB3 LYS 20 OK 38 42 100 90 2.3-4.0 6325=46, 6324/1.8=45...(11) H MET 21 - HB3 LYS 24 far 0 84 0 - 4.6-7.6 H SER 49 - HB2 LYS 47 far 0 63 0 - 5.0-6.6 H MET 21 - HB2 LYS 24 far 0 84 0 - 5.2-7.7 H ALA 25 - HB3 LYS 20 far 0 58 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 1084 from cnoeabs.peaks (7.57, 1.59, 25.00 ppm; 4.31 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 24 + HG2 LYS 24 OK 100 100 100 100 3.5-4.2 6385=100, 6386/1.8=80...(29) H GLU 88 + HG3 LYS 90 OK 33 79 50 83 4.8-7.4 3.6/9910=54...(7) HD22 ASN 10 - HG3 LYS 12 far 0 70 0 - 5.7-9.9 H ILE 76 - HG3 LYS 73 far 0 91 0 - 5.8-8.4 H LEU 14 - HG3 LYS 12 far 0 87 0 - 6.4-7.4 H LYS 24 - HG3 LYS 90 far 0 79 0 - 8.3-11.0 H LEU 14 - HG3 LYS 90 far 0 66 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 1085 from cnoeabs.peaks (4.10, 1.59, 25.00 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 3.2-3.9 3.7=100 HA PRO 86 - HG3 LYS 90 far 0 75 0 - 4.9-7.0 HA LYS 66 - HG3 LYS 73 far 0 81 0 - 7.0-8.8 Violated in 1 structures by 0.00 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: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-2.8 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 43 66 90 72 2.2-4.7 1.8/12029=22, 12027=21...(11) HB3 MET 74 - HG3 LYS 73 far 0 96 0 - 4.1-8.3 HB3 LYS 20 - HG3 LYS 90 far 0 57 0 - 4.7-9.4 QE MET 74 - HG3 LYS 73 far 0 53 0 - 5.0-8.1 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 5.2-7.4 HB3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.1-11.7 HG3 GLU 88 - HG3 LYS 90 far 0 68 0 - 7.1-9.8 HB2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.0-12.0 HB3 ARG 19 - HG3 LYS 90 far 0 49 0 - 8.7-11.5 HB3 ARG 19 - HG3 LYS 12 far 0 68 0 - 8.7-11.7 HB2 GLU 17 - HG2 LYS 24 far 0 91 0 - 9.2-11.5 HB3 ARG 19 - HG2 LYS 24 far 0 71 0 - 9.3-11.3 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: HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-2.8 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 43 66 90 72 2.2-4.7 1.8/12029=22, 12027=21...(11) HB3 MET 74 - HG3 LYS 73 far 0 96 0 - 4.1-8.3 HB3 LYS 20 - HG3 LYS 90 far 0 57 0 - 4.7-9.4 QE MET 74 - HG3 LYS 73 far 0 53 0 - 5.0-8.1 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 5.2-7.4 HB3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.1-11.7 HG3 GLU 88 - HG3 LYS 90 far 0 68 0 - 7.1-9.8 HB2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.0-12.0 HB3 ARG 19 - HG3 LYS 90 far 0 49 0 - 8.7-11.5 HB3 ARG 19 - HG3 LYS 12 far 0 68 0 - 8.7-11.7 HB2 GLU 17 - HG2 LYS 24 far 0 91 0 - 9.2-11.5 HB3 ARG 19 - HG2 LYS 24 far 0 71 0 - 9.3-11.3 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 13 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 - 5.0-8.3 HG3 LYS 13 - HG3 LYS 12 far 0 96 0 - 5.7-7.8 HG3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.3-11.0 HB2 LEU 14 - HG3 LYS 12 far 0 94 0 - 7.8-9.6 HG3 LYS 33 - HG3 LYS 12 far 0 98 0 - 8.1-10.5 HB2 LEU 14 - HG3 LYS 90 far 0 73 0 - 8.1-10.7 HG2 LYS 66 - HG3 LYS 73 far 0 88 0 - 8.5-11.7 HG LEU 57 - HG3 LYS 90 far 0 77 0 - 8.6-9.8 HG3 LYS 66 - HG3 LYS 73 far 0 90 0 - 9.0-11.9 HB ILE 7 - HG3 LYS 12 far 0 94 0 - 9.8-12.7 HB ILE 7 - HG3 LYS 90 far 0 73 0 - 10.0-11.5 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 30 assignments used, quality = 1.00: HD3 LYS 24 + HG2 LYS 24 OK 95 100 100 95 2.4-3.0 3.0=63, 1.8/1121=12...(64) HD2 LYS 12 + HG3 LYS 12 OK 94 98 100 96 2.2-3.0 3.0=61, 3.0/464=25...(50) HD3 LYS 12 + HG3 LYS 12 OK 94 98 100 96 2.5-3.0 3.0=61, 3.0/464=25...(53) * HD2 LYS 24 + HG2 LYS 24 OK 94 100 100 94 2.3-3.0 3.0=63, 1.8/1121=12...(54) HD3 LYS 90 + HG3 LYS 90 OK 73 79 100 93 2.3-2.9 2.9=63, 3981/2.8=18...(22) HD2 LYS 73 + HG3 LYS 73 OK 69 73 100 94 2.2-3.0 3.0=63, 1.8/3298=23...(56) HD3 LYS 73 + HG3 LYS 73 OK 66 70 100 95 2.2-3.0 3.0=63, 1.8/3298=23...(63) HB ILE 15 - HG3 LYS 12 far 0 66 0 - 3.7-6.2 HB3 LEU 70 - HG3 LYS 73 far 0 84 0 - 3.9-7.5 HB3 ARG 91 - HG3 LYS 90 far 0 74 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 95 0 - 4.8-8.4 HG3 LYS 20 - HG2 LYS 24 far 0 91 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 79 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 99 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 98 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 98 0 - 5.6-9.4 HD2 LYS 20 - HG3 LYS 90 far 0 69 0 - 6.1-10.5 HD3 LYS 20 - HG2 LYS 24 far 0 91 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 95 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 94 0 - 7.2-9.8 HD2 LYS 33 - HG3 LYS 12 far 0 75 0 - 7.9-10.9 HD3 LYS 90 - HG2 LYS 24 far 0 100 0 - 8.2-11.4 HD3 LYS 33 - HG3 LYS 12 far 0 75 0 - 8.4-11.1 HD3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 78 0 - 8.8-13.3 HD2 LYS 24 - HG3 LYS 90 far 0 79 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 91 0 - 9.5-14.1 HD3 LYS 13 - HG3 LYS 90 far 0 77 0 - 10.0-13.8 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 30 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 95 100 100 95 2.4-3.0 3.0=63, 1.8/1121=12...(64) HD2 LYS 12 + HG3 LYS 12 OK 95 98 100 96 2.2-3.0 3.0=61, 3.0/464=25...(50) HD3 LYS 12 + HG3 LYS 12 OK 95 98 100 96 2.5-3.0 3.0=61, 3.0/464=25...(53) HD2 LYS 24 + HG2 LYS 24 OK 94 100 100 94 2.3-3.0 3.0=63, 1.8/1121=12...(54) HD3 LYS 90 + HG3 LYS 90 OK 73 79 100 93 2.3-2.9 2.9=63, 3981/2.8=18...(22) HD2 LYS 73 + HG3 LYS 73 OK 67 71 100 94 2.2-3.0 3.0=63, 1.8/3298=23...(56) HD3 LYS 73 + HG3 LYS 73 OK 64 68 100 95 2.2-3.0 3.0=63, 1.8/3298=23...(63) HB ILE 15 - HG3 LYS 12 far 0 68 0 - 3.7-6.2 HB3 LEU 70 - HG3 LYS 73 far 0 86 0 - 3.9-7.5 HB3 ARG 91 - HG3 LYS 90 far 0 73 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 96 0 - 4.8-8.4 HG3 LYS 20 - HG2 LYS 24 far 0 90 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 65 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 78 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 98 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 98 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 65 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 98 0 - 5.6-9.4 HD2 LYS 20 - HG3 LYS 90 far 0 68 0 - 6.1-10.5 HD3 LYS 20 - HG2 LYS 24 far 0 90 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 95 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 93 0 - 7.2-9.8 HD2 LYS 33 - HG3 LYS 12 far 0 77 0 - 7.9-10.9 HD3 LYS 90 - HG2 LYS 24 far 0 100 0 - 8.2-11.4 HD3 LYS 33 - HG3 LYS 12 far 0 77 0 - 8.4-11.1 HD3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 78 0 - 8.8-13.3 HD2 LYS 24 - HG3 LYS 90 far 0 79 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 90 0 - 9.5-14.1 HD3 LYS 13 - HG3 LYS 90 far 0 78 0 - 10.0-13.8 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 17 assignments used, quality = 1.00: HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-3.7 3.7=92, 12306/3.7=19...(114) * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-3.9 3.7=92, 12306/3.7=19...(114) HE3 LYS 12 + HG3 LYS 12 OK 98 98 100 100 2.4-4.2 4.0=76, 1.8/464=71...(52) HE2 LYS 73 + HG3 LYS 73 OK 92 93 100 100 2.4-4.0 4.0=74, 3.0/3298=27...(117) HE3 LYS 73 + HG3 LYS 73 OK 89 89 100 100 2.3-4.2 4.0=74, 3.0/3298=27...(116) HE3 LYS 90 + HG3 LYS 90 OK 59 59 100 100 2.1-3.7 3.8=87, 4005/1.8=56...(27) HG2 MET 21 + HG3 LYS 90 OK 33 65 55 92 2.4-6.6 8546/3916=31...(21) HG2 MET 21 - HG2 LYS 24 far 0 90 0 - 4.6-7.5 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.1-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 70 0 - 6.2-8.2 HB2 ASN 10 - HG3 LYS 12 far 0 66 0 - 6.6-9.5 HB2 SER 9 - HG3 LYS 12 far 0 75 0 - 6.8-10.6 HE3 LYS 90 - HG2 LYS 24 far 0 84 0 - 8.3-12.2 HE2 LYS 13 - HG3 LYS 90 far 0 79 0 - 9.0-15.4 HE2 LYS 24 - HG3 LYS 90 far 0 79 0 - 9.4-13.3 HE3 LYS 24 - HG3 LYS 90 far 0 79 0 - 9.8-13.3 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 17 assignments used, quality = 1.00: * HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-3.7 3.7=92, 12306/3.7=19...(114) HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-3.9 3.7=92, 12306/3.7=19...(114) HE3 LYS 12 + HG3 LYS 12 OK 98 98 100 100 2.4-4.2 4.0=76, 1.8/464=71...(52) HE2 LYS 73 + HG3 LYS 73 OK 92 93 100 100 2.4-4.0 4.0=74, 3.0/3298=27...(117) HE3 LYS 73 + HG3 LYS 73 OK 89 89 100 100 2.3-4.2 4.0=74, 3.0/3298=27...(116) HE3 LYS 90 + HG3 LYS 90 OK 59 59 100 100 2.1-3.7 3.8=87, 4005/1.8=56...(27) HG2 MET 21 + HG3 LYS 90 OK 33 65 55 92 2.4-6.6 8546/3916=31...(21) HG2 MET 21 - HG2 LYS 24 far 0 90 0 - 4.6-7.5 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.1-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 70 0 - 6.2-8.2 HB2 ASN 10 - HG3 LYS 12 far 0 66 0 - 6.6-9.5 HB2 SER 9 - HG3 LYS 12 far 0 75 0 - 6.8-10.6 HE3 LYS 90 - HG2 LYS 24 far 0 84 0 - 8.3-12.2 HE2 LYS 13 - HG3 LYS 90 far 0 79 0 - 9.0-15.4 HE2 LYS 24 - HG3 LYS 90 far 0 79 0 - 9.4-13.3 HE3 LYS 24 - HG3 LYS 90 far 0 79 0 - 9.8-13.3 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 3.7-5.5 6397/6385=82...(10) H MET 74 + HG3 LYS 73 OK 58 58 100 99 2.3-5.1 4.7/7208=64, 3.6/3232=54...(15) H MET 21 + HG2 LYS 24 OK 41 84 50 97 5.3-6.9 3.0/8565=54, ~11063=44...(13) H MET 21 - HG3 LYS 90 poor 18 59 35 87 4.4-7.4 8561/1.8=58...(10) H SER 85 - HG3 LYS 90 far 0 65 0 - 8.6-10.9 H ALA 25 - HG3 LYS 90 far 0 79 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (7.57, 1.51, 25.00 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.9-4.6 6386=100, 6385/1.8=88...(24) H LEU 14 + HG3 LYS 13 OK 84 84 100 99 3.9-5.0 3.6/486=69, 6182/6177=64...(17) H GLU 44 - HG2 LYS 47 poor 20 65 30 - 4.5-8.2 HD22 ASN 10 - HG3 LYS 33 far 0 66 0 - 6.1-9.7 H ILE 76 - HG2 LYS 73 far 0 85 0 - 6.2-9.0 HD22 ASN 10 - HG3 LYS 13 far 0 67 0 - 8.8-13.8 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 2.0-3.9 3.7=87, 3.0/6386=43...(44) HA ARG 46 - HG2 LYS 47 far 0 67 0 - 5.1-7.0 HA LYS 66 - HG2 LYS 73 far 0 75 0 - 6.6-9.7 HA PRO 86 - HG3 LYS 13 far 0 94 0 - 8.5-9.7 Violated in 1 structures by 0.02 A. Peak 1097 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.86 A): 6 out of 21 assignments used, quality = 1.00: HB3 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.4-3.0 2.9=92, 3.0/1096=35...(69) * HB2 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.4-3.0 2.9=92, 3.0/1096=35...(67) HB2 LYS 73 + HG2 LYS 73 OK 89 90 100 100 2.2-3.0 2.9=93, 3.0/3231=22...(64) HB3 LYS 73 + HG2 LYS 73 OK 89 89 100 100 2.4-3.0 2.9=93, 3.0/3231=22...(64) HB2 LYS 47 + HG2 LYS 47 OK 87 88 100 99 2.3-3.0 3.0=90, 2134/6772=26...(61) HB3 LYS 47 + HG2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=90, 3.0/2126=23...(67) HB3 ARG 46 - HG2 LYS 47 far 9 88 10 - 3.6-7.9 HB2 ARG 46 - HG2 LYS 47 far 4 84 5 - 3.6-7.2 HB3 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.0-7.2 HB3 MET 74 - HG2 LYS 73 far 0 90 0 - 4.2-8.0 HB3 LYS 20 - HG3 LYS 24 far 0 81 0 - 4.4-8.7 HB2 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.7-7.9 QE MET 74 - HG2 LYS 73 far 0 48 0 - 4.8-8.1 HB2 GLU 37 - HG3 LYS 33 far 0 90 0 - 5.1-6.1 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 5.3-6.0 QE MET 74 - HG2 LYS 47 far 0 47 0 - 7.1-11.1 HB2 GLU 17 - HG3 LYS 13 far 0 84 0 - 7.5-10.2 HB3 ARG 19 - HG3 LYS 24 far 0 71 0 - 8.1-12.1 HB2 GLU 17 - HG3 LYS 24 far 0 91 0 - 8.9-12.9 HB3 MET 74 - HG2 LYS 47 far 0 89 0 - 9.2-13.5 HB3 LYS 20 - HG3 LYS 13 far 0 74 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1098 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.86 A): 6 out of 21 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.4-3.0 2.9=92, 3.0/1096=35...(69) HB2 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.4-3.0 2.9=92, 3.0/1096=35...(67) HB2 LYS 73 + HG2 LYS 73 OK 89 90 100 100 2.2-3.0 2.9=93, 3.0/3231=22...(64) HB3 LYS 73 + HG2 LYS 73 OK 89 89 100 100 2.4-3.0 2.9=93, 3.0/3231=22...(64) HB2 LYS 47 + HG2 LYS 47 OK 87 88 100 99 2.3-3.0 3.0=90, 2134/6772=26...(61) HB3 LYS 47 + HG2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=90, 3.0/2126=23...(67) HB3 ARG 46 - HG2 LYS 47 far 9 88 10 - 3.6-7.9 HB2 ARG 46 - HG2 LYS 47 far 4 84 5 - 3.6-7.2 HB3 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.0-7.2 HB3 MET 74 - HG2 LYS 73 far 0 90 0 - 4.2-8.0 HB3 LYS 20 - HG3 LYS 24 far 0 81 0 - 4.4-8.7 HB2 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.7-7.9 QE MET 74 - HG2 LYS 73 far 0 48 0 - 4.8-8.1 HB2 GLU 37 - HG3 LYS 33 far 0 90 0 - 5.1-6.1 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 5.3-6.0 QE MET 74 - HG2 LYS 47 far 0 47 0 - 7.1-11.1 HB2 GLU 17 - HG3 LYS 13 far 0 84 0 - 7.5-10.2 HB3 ARG 19 - HG3 LYS 24 far 0 71 0 - 8.1-12.1 HB2 GLU 17 - HG3 LYS 24 far 0 91 0 - 8.9-12.9 HB3 MET 74 - HG2 LYS 47 far 0 89 0 - 9.2-13.5 HB3 LYS 20 - HG3 LYS 13 far 0 74 0 - 9.8-13.5 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 14 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 HG3 LYS 12 - HG3 LYS 13 far 0 95 0 - 5.7-7.8 HD3 LYS 94 - HG3 LYS 24 far 0 98 0 - 6.9-12.5 HG3 LYS 90 - HG3 LYS 24 far 0 100 0 - 7.3-11.0 HD2 LYS 94 - HG3 LYS 24 far 0 61 0 - 7.5-10.9 HD2 LYS 66 - HG2 LYS 73 far 0 84 0 - 7.6-13.5 HG2 ARG 19 - HG3 LYS 24 far 0 100 0 - 7.7-12.8 HG LEU 27 - HG3 LYS 24 far 0 98 0 - 8.0-9.5 HB2 ARG 30 - HG3 LYS 33 far 0 88 0 - 8.0-9.8 HG3 LYS 12 - HG3 LYS 33 far 0 94 0 - 8.1-10.5 HB3 LEU 29 - HG3 LYS 24 far 0 99 0 - 8.9-12.0 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 33 assignments used, quality = 1.00: HD3 LYS 24 + HG3 LYS 24 OK 94 100 100 94 2.2-3.0 3.0=59, 4.9/1096=12...(57) * HD2 LYS 24 + HG3 LYS 24 OK 93 100 100 93 2.4-3.0 3.0=59, 4.9/1096=12...(49) HD2 LYS 13 + HG3 LYS 13 OK 87 96 100 90 2.4-3.0 3.0=59, 487/486=11...(42) HD3 LYS 13 + HG3 LYS 13 OK 86 95 100 90 2.2-3.0 3.0=59, 487/486=11...(43) HD3 LYS 47 + HG2 LYS 47 OK 79 83 100 95 2.2-3.0 3.0=58, 2195/1.8=10...(75) HD2 LYS 47 + HG2 LYS 47 OK 77 82 100 94 2.4-3.0 3.0=58, 2195/1.8=10...(63) HD2 LYS 33 + HG3 LYS 33 OK 67 71 100 94 2.4-2.9 3.0=59, 1472/1.8=16...(47) HD3 LYS 33 + HG3 LYS 33 OK 67 71 100 94 2.5-2.9 3.0=59, 1472/1.8=16...(46) HD2 LYS 73 + HG2 LYS 73 OK 63 67 100 93 2.2-3.0 3.0=59, 3298/1.8=16...(54) HD3 LYS 73 + HG2 LYS 73 OK 60 64 100 94 2.4-3.0 3.0=59, 3298/1.8=16...(58) HG LEU 70 - HG2 LYS 73 far 0 90 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 78 0 - 5.0-7.6 HG3 LYS 20 - HG3 LYS 24 far 0 91 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 96 0 - 5.9-7.7 HD2 LYS 12 - HG3 LYS 13 far 0 96 0 - 6.1-9.0 HB ILE 52 - HG2 LYS 47 far 0 70 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 91 0 - 6.4-10.2 HB ILE 15 - HG3 LYS 13 far 0 63 0 - 6.7-7.8 HD2 LYS 20 - HG3 LYS 24 far 0 94 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 96 0 - 6.9-8.7 HD3 LYS 66 - HG2 LYS 73 far 0 89 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.3-10.9 HB2 LEU 2 - HG2 LYS 47 far 0 88 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 100 0 - 7.9-12.9 HB ILE 15 - HG3 LYS 33 far 0 62 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.9-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 84 0 - 8.0-12.9 HD2 LYS 20 - HG3 LYS 13 far 0 88 0 - 8.2-12.0 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 8.8-10.4 HG3 LYS 20 - HG3 LYS 13 far 0 84 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 92 0 - 9.4-11.8 HD3 LYS 90 - HG3 LYS 13 far 0 97 0 - 9.7-15.3 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 33 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 94 100 100 94 2.2-3.0 3.0=59, 4.9/1096=12...(57) HD2 LYS 24 + HG3 LYS 24 OK 93 100 100 93 2.4-3.0 3.0=59, 4.9/1096=12...(49) HD2 LYS 13 + HG3 LYS 13 OK 87 96 100 90 2.4-3.0 3.0=59, 487/486=11...(42) HD3 LYS 13 + HG3 LYS 13 OK 87 96 100 90 2.2-3.0 3.0=59, 487/486=11...(43) HD3 LYS 47 + HG2 LYS 47 OK 78 82 100 95 2.2-3.0 3.0=58, 2195/1.8=10...(75) HD2 LYS 47 + HG2 LYS 47 OK 76 81 100 94 2.4-3.0 3.0=58, 2195/1.8=10...(63) HD3 LYS 33 + HG3 LYS 33 OK 69 73 100 94 2.5-2.9 3.0=59, 1472/1.8=17...(46) HD2 LYS 33 + HG3 LYS 33 OK 69 73 100 94 2.4-2.9 3.0=59, 1472/1.8=17...(47) HD2 LYS 73 + HG2 LYS 73 OK 61 65 100 93 2.2-3.0 3.0=59, 3298/1.8=15...(54) HD3 LYS 73 + HG2 LYS 73 OK 58 62 100 94 2.4-3.0 3.0=59, 3298/1.8=15...(58) HG LEU 70 - HG2 LYS 73 far 0 90 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 80 0 - 5.0-7.6 HG3 LYS 20 - HG3 LYS 24 far 0 90 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 95 0 - 5.9-7.7 HD2 LYS 12 - HG3 LYS 13 far 0 96 0 - 6.1-9.0 HB ILE 52 - HG2 LYS 47 far 0 69 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 90 0 - 6.4-10.2 HB ILE 15 - HG3 LYS 13 far 0 65 0 - 6.7-7.8 HD2 LYS 20 - HG3 LYS 24 far 0 93 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 96 0 - 6.9-8.7 HD3 LYS 66 - HG2 LYS 73 far 0 90 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.3-10.9 HB2 LEU 2 - HG2 LYS 47 far 0 88 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 100 0 - 7.9-12.9 HB ILE 15 - HG3 LYS 33 far 0 64 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.9-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 83 0 - 8.0-12.9 HD2 LYS 20 - HG3 LYS 13 far 0 87 0 - 8.2-12.0 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 8.8-10.4 HG3 LYS 20 - HG3 LYS 13 far 0 83 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 91 0 - 9.4-11.8 HD3 LYS 90 - HG3 LYS 13 far 0 97 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.48 A): 8 out of 20 assignments used, quality = 1.00: HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.1-4.2 3.7=82, 12306/1096=18...(106) * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.1 3.7=82, 12306/1096=18...(106) HE2 LYS 13 + HG3 LYS 13 OK 96 96 100 99 2.6-4.1 3.8=75, 474/1.8=23...(77) HE3 LYS 13 + HG3 LYS 13 OK 96 96 100 99 2.1-4.2 3.8=75, 576/1.8=23...(77) HE2 LYS 73 + HG2 LYS 73 OK 86 87 100 100 2.0-4.0 4.0=66, 3.0/3297=15...(113) HE3 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.1-3.8 3.8=78, 2177/1.8=16...(127) HE2 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.0-4.2 3.8=78, 2206/1.8=19...(127) HE3 LYS 73 + HG2 LYS 73 OK 83 83 100 100 2.2-3.9 4.0=66, 3.0/3297=15...(110) HB3 ASP 11 - HG3 LYS 13 poor 17 67 25 - 3.7-6.9 HG2 MET 21 - HG3 LYS 24 far 0 90 0 - 4.6-8.5 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.4-10.6 HB2 PHE 45 - HG2 LYS 47 far 0 75 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 88 0 - 6.1-8.7 HE3 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.5-12.5 HB2 SER 9 - HG3 LYS 33 far 0 71 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 72 0 - 8.0-10.5 HB2 ASN 10 - HG3 LYS 33 far 0 62 0 - 8.1-10.0 HB2 ASN 10 - HG3 LYS 13 far 0 63 0 - 8.2-12.0 HE3 LYS 90 - HG3 LYS 13 far 0 77 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.48 A): 8 out of 20 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.1-4.2 3.7=82, 12306/1096=18...(106) HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.1 3.7=82, 12306/1096=18...(106) HE2 LYS 13 + HG3 LYS 13 OK 96 96 100 99 2.6-4.1 3.8=75, 474/1.8=23...(77) HE3 LYS 13 + HG3 LYS 13 OK 96 96 100 99 2.1-4.2 3.8=75, 576/1.8=23...(77) HE2 LYS 73 + HG2 LYS 73 OK 86 87 100 100 2.0-4.0 4.0=66, 3.0/3297=15...(113) HE3 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.1-3.8 3.8=78, 2177/1.8=16...(127) HE2 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.0-4.2 3.8=78, 2206/1.8=19...(127) HE3 LYS 73 + HG2 LYS 73 OK 83 83 100 100 2.2-3.9 4.0=66, 3.0/3297=15...(110) HB3 ASP 11 - HG3 LYS 13 poor 17 67 25 - 3.7-6.9 HG2 MET 21 - HG3 LYS 24 far 0 90 0 - 4.6-8.5 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.4-10.6 HB2 PHE 45 - HG2 LYS 47 far 0 75 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 88 0 - 6.1-8.7 HE3 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.5-12.5 HB2 SER 9 - HG3 LYS 33 far 0 71 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 72 0 - 8.0-10.5 HB2 ASN 10 - HG3 LYS 33 far 0 62 0 - 8.1-10.0 HB2 ASN 10 - HG3 LYS 13 far 0 63 0 - 8.2-12.0 HE3 LYS 90 - HG3 LYS 13 far 0 77 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 8.5-13.8 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 5 assignments used, quality = 1.00: * H ALA 25 + HG3 LYS 24 OK 100 100 100 100 3.9-5.1 6402=100, 3.6/1096=85...(10) H MET 21 + HG3 LYS 24 OK 65 84 80 97 4.4-8.0 ~11063=48, ~8565=43...(11) H MET 74 + HG2 LYS 73 OK 53 53 100 99 2.6-5.2 4.7/7207=61, 7219=52...(14) H SER 49 + HG2 LYS 47 OK 44 82 65 82 4.8-7.8 6795/6784=62...(7) H GLU 37 - HG3 LYS 33 far 0 68 0 - 6.7-7.7 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 20 assignments used, quality = 1.00: H LYS 24 + HD3 LYS 24 OK 95 100 95 100 2.9-5.4 6385/3.0=74, 6386/3.0=69...(26) * H LYS 24 + HD2 LYS 24 OK 90 100 90 100 2.0-5.4 6385/3.0=74, 6386/3.0=69...(26) H LEU 14 + HD3 LYS 13 OK 45 88 55 94 4.4-6.1 6191/3.0=52, 3.6/487=34...(9) H LEU 14 + HD2 LYS 13 OK 42 89 50 94 4.1-6.0 6191/3.0=52, 3.6/487=34...(9) H GLU 88 + HB3 ARG 91 OK 32 55 60 98 4.6-7.1 3.0/3871=54, ~4024=47...(20) H GLU 44 - HD3 LYS 47 poor 11 36 30 - 4.7-8.1 HD22 ASN 10 - HD2 LYS 12 far 6 62 10 - 4.9-11.2 H GLU 44 - HD2 LYS 47 far 5 35 15 - 5.0-8.5 HD22 ASN 10 - HD3 LYS 12 far 3 62 5 - 4.6-10.6 HD22 ASN 10 - HD2 LYS 33 far 1 26 5 - 4.7-10.0 HD22 ASN 10 - HD3 LYS 33 far 0 26 0 - 5.6-8.6 H LEU 14 - HD2 LYS 12 far 0 79 0 - 5.9-8.8 H LEU 14 - HD3 LYS 12 far 0 79 0 - 6.3-8.6 H LYS 24 - HD3 LYS 20 far 0 56 0 - 6.5-9.2 H LYS 24 - HD2 LYS 20 far 0 62 0 - 6.5-9.4 H ILE 76 - HD2 LYS 73 far 0 58 0 - 6.8-9.9 H LEU 14 - HD3 LYS 20 far 0 46 0 - 8.2-12.2 H LEU 14 - HD2 LYS 20 far 0 50 0 - 8.5-11.4 HD22 ASN 10 - HD3 LYS 13 far 0 70 0 - 8.9-15.2 HD22 ASN 10 - HD2 LYS 13 far 0 72 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 3.65 A): 2 out of 12 assignments used, quality = 1.00: HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-4.1 1096/3.0=59, 4.9=40...(77) * HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.0-4.6 1096/3.0=59, 4.9=40...(75) HA LYS 66 - HD2 LYS 73 far 0 49 0 - 6.1-10.6 HA ARG 46 - HD2 LYS 47 far 0 36 0 - 6.4-8.0 HA ARG 46 - HD3 LYS 47 far 0 37 0 - 6.5-7.9 HA PRO 86 - HD2 LYS 13 far 0 97 0 - 6.9-10.1 HA PRO 86 - HB3 ARG 91 far 0 52 0 - 7.6-9.7 HA LYS 24 - HD3 LYS 20 far 0 56 0 - 7.8-11.3 HA LYS 24 - HD2 LYS 20 far 0 62 0 - 8.4-11.6 HA PRO 86 - HD3 LYS 20 far 0 53 0 - 8.4-12.7 HA PRO 86 - HD3 LYS 13 far 0 96 0 - 8.5-11.0 HA PRO 86 - HD2 LYS 20 far 0 58 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.87 A): 11 out of 51 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 93 100 95 98 2.5-3.8 3.6=52, 3.0/1107=17...(107) HB3 LYS 24 + HD2 LYS 24 OK 88 100 90 98 2.5-3.9 3.6=52, 3.0/1107=17...(107) HB2 LYS 24 + HD3 LYS 24 OK 74 100 75 98 2.4-4.2 3.6=52, 3.0/1118=18...(109) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.1-3.5 3.6=51, 3.0/3233=11...(118) HB3 LYS 24 + HD3 LYS 24 OK 54 100 55 99 2.1-4.2 3.6=52, 3.0/1118=18...(107) HB2 LYS 73 + HD2 LYS 73 OK 52 62 85 99 2.3-4.2 3.6=51, 3.0/3233=11...(124) HB2 LYS 47 + HD2 LYS 47 OK 40 51 80 98 2.2-3.8 3.9=38, 2134/6775=13...(97) HB2 LYS 47 + HD3 LYS 47 OK 38 52 75 98 3.1-4.0 3.9=38, 2134/6775=12...(98) HB3 LYS 20 + HD3 LYS 20 OK 37 39 100 95 2.0-3.7 3.5=54, ~848=10...(64) HB3 LYS 20 + HD2 LYS 20 OK 33 43 80 95 2.0-4.2 3.5=54, ~848=10...(64) HB3 LYS 47 + HD2 LYS 47 OK 25 25 100 97 2.0-3.7 3.9=38, 4.0/6775=11...(107) HB3 LYS 47 - HD3 LYS 47 poor 19 26 75 - 2.3-4.2 HB3 GLU 44 - HD3 LYS 47 poor 10 26 40 - 3.0-7.9 HB3 ARG 19 - HD2 LYS 20 far 6 37 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 5 33 15 - 2.9-8.1 HB3 GLU 44 - HD2 LYS 47 far 3 25 10 - 2.8-8.6 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 46 0 - 4.3-8.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.3-9.3 HB2 GLU 17 - HD2 LYS 20 far 0 50 0 - 4.3-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 26 0 - 4.5-8.8 QE MET 74 - HD2 LYS 73 far 0 30 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 63 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.2-8.1 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 48 0 - 5.5-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 89 0 - 5.9-9.8 HB2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.5-11.0 HB2 GLU 37 - HD2 LYS 33 far 0 39 0 - 6.6-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 88 0 - 6.9-10.7 HB2 GLU 37 - HD3 LYS 33 far 0 39 0 - 7.0-8.0 HB3 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.1-11.4 HB3 ARG 19 - HD2 LYS 12 far 0 60 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 7.5-10.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 7.7-12.8 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 7.8-13.1 HB VAL 32 - HD3 LYS 33 far 0 34 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 60 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 34 0 - 7.8-8.5 QE MET 74 - HD3 LYS 47 far 0 25 0 - 8.0-10.4 QE MET 74 - HD2 LYS 47 far 0 24 0 - 8.1-10.8 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 8.5-13.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.4-12.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.87 A): 11 out of 51 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 93 100 95 98 2.5-3.8 3.6=52, 3.0/1107=17...(107) * HB3 LYS 24 + HD2 LYS 24 OK 88 100 90 98 2.5-3.9 3.6=52, 3.0/1107=17...(107) HB2 LYS 24 + HD3 LYS 24 OK 74 100 75 98 2.4-4.2 3.6=52, 3.0/1118=18...(109) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.1-3.5 3.6=51, 3.0/3233=11...(118) HB3 LYS 24 + HD3 LYS 24 OK 54 100 55 99 2.1-4.2 3.6=52, 3.0/1118=18...(107) HB2 LYS 73 + HD2 LYS 73 OK 52 62 85 99 2.3-4.2 3.6=51, 3.0/3233=11...(124) HB2 LYS 47 + HD2 LYS 47 OK 40 51 80 98 2.2-3.8 3.9=38, 2134/6775=13...(97) HB2 LYS 47 + HD3 LYS 47 OK 38 52 75 98 3.1-4.0 3.9=38, 2134/6775=12...(98) HB3 LYS 20 + HD3 LYS 20 OK 37 39 100 95 2.0-3.7 3.5=54, ~848=10...(64) HB3 LYS 20 + HD2 LYS 20 OK 33 43 80 95 2.0-4.2 3.5=54, ~848=10...(64) HB3 LYS 47 + HD2 LYS 47 OK 25 25 100 97 2.0-3.7 3.9=38, 4.0/6775=11...(107) HB3 LYS 47 - HD3 LYS 47 poor 19 26 75 - 2.3-4.2 HB3 GLU 44 - HD3 LYS 47 poor 10 26 40 - 3.0-7.9 HB3 ARG 19 - HD2 LYS 20 far 6 37 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 5 33 15 - 2.9-8.1 HB3 GLU 44 - HD2 LYS 47 far 3 25 10 - 2.8-8.6 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 46 0 - 4.3-8.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.3-9.3 HB2 GLU 17 - HD2 LYS 20 far 0 50 0 - 4.3-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 26 0 - 4.5-8.8 QE MET 74 - HD2 LYS 73 far 0 30 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 63 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.2-8.1 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 48 0 - 5.5-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 89 0 - 5.9-9.8 HB2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.5-11.0 HB2 GLU 37 - HD2 LYS 33 far 0 39 0 - 6.6-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 88 0 - 6.9-10.7 HB2 GLU 37 - HD3 LYS 33 far 0 39 0 - 7.0-8.0 HB3 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.1-11.4 HB3 ARG 19 - HD2 LYS 12 far 0 60 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 7.5-10.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 7.7-12.8 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 7.8-13.1 HB VAL 32 - HD3 LYS 33 far 0 34 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 60 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 34 0 - 7.8-8.5 QE MET 74 - HD3 LYS 47 far 0 25 0 - 8.0-10.4 QE MET 74 - HD2 LYS 47 far 0 24 0 - 8.1-10.8 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 8.5-13.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.4-12.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 9.6-13.3 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 2.4-3.0 3.0=54, 3.7/1118=9...(52) * HG2 LYS 24 + HD2 LYS 24 OK 89 100 100 89 2.3-3.0 3.0=54, 1091/1.8=9...(48) HG3 LYS 12 + HD2 LYS 12 OK 84 90 100 93 2.2-3.0 3.0=52, 464/3.0=22...(41) HG3 LYS 12 + HD3 LYS 12 OK 84 90 100 93 2.5-3.0 3.0=52, 464/3.0=22...(41) HG3 LYS 73 + HD2 LYS 73 OK 52 59 100 89 2.2-3.0 3.0=54, 3278/1.8=9...(57) HG3 LYS 47 + HD3 LYS 47 OK 25 28 100 90 2.2-3.0 3.0=53, 1.8/2164=7...(63) HG3 LYS 47 + HD2 LYS 47 OK 25 27 100 90 2.4-3.0 3.0=53, 1.8/2164=7...(57) HG2 LYS 33 - HD3 LYS 33 poor 18 21 100 87 2.4-2.9 3.0=53, 3.9/1420=11...(41) HG2 LYS 33 - HD2 LYS 33 poor 18 21 100 86 2.2-3.0 3.0=53, 1.8/2926=10...(40) HG2 ARG 19 - HD2 LYS 20 far 3 62 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 56 0 - 3.9-9.2 HD2 LYS 94 - HB3 ARG 91 far 0 27 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 51 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 55 0 - 4.5-7.6 HG3 LYS 12 - HD2 LYS 13 far 0 99 0 - 5.3-9.2 HG3 LYS 90 - HD3 LYS 20 far 0 56 0 - 5.5-10.4 HG3 LYS 12 - HD3 LYS 13 far 0 98 0 - 5.6-9.4 HG3 LYS 90 - HD2 LYS 20 far 0 62 0 - 6.1-10.5 HD2 LYS 66 - HD2 LYS 73 far 0 57 0 - 6.6-14.4 HG2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 59 0 - 7.2-11.0 HB3 LEU 29 - HD3 LYS 20 far 0 54 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.6-11.8 HG2 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.6-11.3 HG3 LYS 12 - HD2 LYS 33 far 0 42 0 - 7.9-10.9 HG2 ARG 19 - HD3 LYS 24 far 0 100 0 - 8.0-13.8 HD3 LYS 94 - HD2 LYS 24 far 0 98 0 - 8.1-12.1 HG3 LYS 12 - HD3 LYS 33 far 0 42 0 - 8.4-11.1 HG2 ARG 19 - HD2 LYS 24 far 0 100 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 100 0 - 8.5-12.3 HB3 GLU 28 - HD2 LYS 47 far 0 40 0 - 8.5-16.0 HG2 LYS 33 - HD2 LYS 12 far 0 51 0 - 8.6-12.2 HG LEU 27 - HD2 LYS 24 far 0 98 0 - 8.6-10.7 HG2 LYS 33 - HD3 LYS 12 far 0 51 0 - 8.7-13.3 HD2 LYS 94 - HD2 LYS 24 far 0 61 0 - 8.7-12.6 HB3 GLU 28 - HD3 LYS 47 far 0 41 0 - 8.7-16.3 HG3 LYS 90 - HD2 LYS 13 far 0 99 0 - 8.8-13.3 HD2 LYS 94 - HD3 LYS 24 far 0 61 0 - 8.9-12.4 HD3 LYS 94 - HD3 LYS 24 far 0 98 0 - 8.9-11.9 HG LEU 27 - HD3 LYS 24 far 0 98 0 - 9.0-10.5 HB2 ARG 30 - HD2 LYS 33 far 0 38 0 - 9.2-11.4 HG3 LYS 90 - HD2 LYS 24 far 0 100 0 - 9.2-12.6 HG2 ARG 19 - HD3 LYS 13 far 0 99 0 - 9.3-13.8 HB2 ARG 30 - HD3 LYS 33 far 0 38 0 - 9.4-12.4 HG2 ARG 19 - HD2 LYS 13 far 0 99 0 - 9.5-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 60 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 99 0 - 9.6-13.1 HB3 LEU 29 - HD3 LYS 24 far 0 99 0 - 9.7-12.8 HG3 LYS 90 - HD3 LYS 13 far 0 99 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.46 A): 10 out of 33 assignments used, quality = 1.00: HG3 LYS 24 + HD3 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=58, 1096/4.9=12...(43) * HG3 LYS 24 + HD2 LYS 24 OK 91 100 100 91 2.4-3.0 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=10...(32) HG3 LYS 13 + HD3 LYS 13 OK 87 96 100 90 2.2-3.0 3.0=58, 486/487=10...(33) HG2 LYS 73 + HD2 LYS 73 OK 51 56 100 91 2.2-3.0 3.0=58, 3267/1.8=8...(54) 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 2.2-3.0 3.0=57, 1.8/2175=12...(58) HG2 LYS 47 + HD2 LYS 47 OK 42 45 100 93 2.4-3.0 3.0=57, 1.8/2175=12...(54) HG3 LYS 33 + HD3 LYS 33 OK 39 43 100 89 2.5-2.9 3.0=58, 1418/1419=13...(35) HG3 LYS 33 + HD2 LYS 33 OK 39 43 100 89 2.4-2.9 3.0=58, 1495/3.0=12...(36) HB2 LEU 14 - HD2 LYS 13 far 0 96 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 88 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 51 0 - 5.7-12.1 HG3 LYS 13 - HD2 LYS 12 far 0 88 0 - 6.1-9.0 HG LEU 2 - HD3 LYS 47 far 0 52 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 95 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.4-10.2 HG3 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.8-9.4 HG3 LYS 33 - HD2 LYS 12 far 0 91 0 - 7.3-10.9 HG2 LYS 66 - HD2 LYS 73 far 0 55 0 - 7.4-12.7 HB2 LEU 14 - HD2 LYS 12 far 0 86 0 - 7.7-11.1 HG LEU 57 - HB3 ARG 91 far 0 53 0 - 7.7-9.7 HG3 LYS 33 - HD3 LYS 12 far 0 91 0 - 7.9-12.0 HG3 LYS 13 - HD3 LYS 20 far 0 53 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 86 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 58 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 57 0 - 8.3-12.9 HG3 ARG 30 - HD2 LYS 33 far 0 34 0 - 9.3-12.4 HB2 LEU 14 - HD3 LYS 20 far 0 51 0 - 9.4-13.1 HB2 LEU 14 - HD2 LYS 20 far 0 56 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 86 0 - 9.7-13.5 HB ILE 7 - HD2 LYS 20 far 0 56 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 42 0 - 10.0-17.2 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): 16 out of 66 assignments used, quality = 1.00: HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=9...(83) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=8...(83) * HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 1132/3.0=8...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 99 100 99 2.4-3.0 2.9=94, 474/3.0=12...(68) HE3 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 576/3.0=12...(68) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(68) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 576/3.0=12...(68) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=91, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(47) HE2 LYS 73 + HD2 LYS 73 OK 59 59 100 98 2.3-3.0 3.0=90, 3309/3.0=7...(77) HE3 LYS 73 + HD2 LYS 73 OK 55 56 100 99 2.2-3.0 3.0=90, 3308/3.0=6...(76) HE2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.2-3.0 3.0=92, 2217/3.0=10...(79) HE3 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.3-3.0 3.0=92, 2176/3.0=8...(79) HE3 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.2-3.0 3.0=92, 2176/3.0=8...(79) HE2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.2-3.0 3.0=92, 2217/3.0=10...(79) HE3 LYS 90 - HB3 ARG 91 far 2 40 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 70 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 41 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 56 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 91 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 99 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 45 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 45 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 52 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 51 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 89 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 43 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 91 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 56 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 43 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 62 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 42 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 43 0 - 7.1-13.0 HE3 LYS 90 - HD3 LYS 13 far 0 81 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 56 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 24 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 24 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 82 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 61 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 56 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 1115 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 16 out of 66 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=9...(83) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=8...(83) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 1132/3.0=8...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 99 100 99 2.4-3.0 2.9=94, 474/3.0=12...(68) HE3 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 576/3.0=12...(68) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(68) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 576/3.0=12...(68) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=91, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(47) HE2 LYS 73 + HD2 LYS 73 OK 59 59 100 98 2.3-3.0 3.0=90, 3309/3.0=7...(77) HE3 LYS 73 + HD2 LYS 73 OK 55 56 100 99 2.2-3.0 3.0=90, 3308/3.0=6...(76) HE2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.2-3.0 3.0=92, 2217/3.0=10...(79) HE3 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.3-3.0 3.0=92, 2176/3.0=8...(79) HE3 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.2-3.0 3.0=92, 2176/3.0=8...(79) HE2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.2-3.0 3.0=92, 2217/3.0=10...(79) HE3 LYS 90 - HB3 ARG 91 far 2 40 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 70 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 41 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 56 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 91 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 99 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 45 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 45 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 52 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 51 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 89 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 43 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 91 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 56 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 43 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 62 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 42 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 43 0 - 7.1-13.0 HE3 LYS 90 - HD3 LYS 13 far 0 81 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 56 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 24 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 24 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 82 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 61 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 56 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.7-13.7 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 15 assignments used, quality = 0.96: * H ALA 25 + HD2 LYS 24 OK 74 100 75 99 4.5-6.3 6402/3.0=65, 6403=60...(10) H ALA 25 + HD3 LYS 24 OK 50 100 50 99 4.9-6.0 6402/3.0=65, 6400/3.6=50...(9) H MET 21 + HD3 LYS 20 OK 34 41 85 99 4.1-6.3 6325/3.5=64, 6324/3.5=61...(11) H MET 21 + HD2 LYS 20 OK 29 45 65 99 4.1-6.2 6325/3.5=64, 6324/3.5=61...(12) H MET 74 + HD2 LYS 73 OK 27 34 90 89 3.8-6.2 7220/3.0=36, 7219/3.0=35...(11) H MET 21 - HD3 LYS 24 far 4 84 5 - 4.7-8.2 H MET 21 - HD2 LYS 24 far 4 84 5 - 5.3-8.0 H SER 49 - HD2 LYS 47 far 0 46 0 - 5.9-9.8 H SER 49 - HD3 LYS 47 far 0 48 0 - 6.7-8.9 H GLU 37 - HD2 LYS 33 far 0 27 0 - 7.4-9.0 H GLU 37 - HD3 LYS 33 far 0 27 0 - 7.8-8.8 H SER 85 - HB3 ARG 91 far 0 44 0 - 7.9-10.8 H ALA 25 - HD2 LYS 20 far 0 62 0 - 8.9-11.6 H ALA 25 - HD3 LYS 20 far 0 56 0 - 8.9-11.5 H MET 21 - HB3 ARG 91 far 0 40 0 - 9.5-11.5 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 20 assignments used, quality = 1.00: * H LYS 24 + HD3 LYS 24 OK 95 100 95 100 2.9-5.4 6385/3.0=74, 6386/3.0=69...(26) H LYS 24 + HD2 LYS 24 OK 90 100 90 100 2.0-5.4 6385/3.0=74, 6386/3.0=69...(26) H LEU 14 + HD3 LYS 13 OK 46 89 55 94 4.4-6.1 6191/3.0=52, 3.6/487=35...(9) H LEU 14 + HD2 LYS 13 OK 42 90 50 94 4.1-6.0 6191/3.0=52, 3.6/487=35...(9) H GLU 88 + HB3 ARG 91 OK 31 53 60 98 4.6-7.1 3.0/3871=54, ~4024=47...(20) H GLU 44 - HD3 LYS 47 poor 11 35 30 - 4.7-8.1 HD22 ASN 10 - HD2 LYS 12 far 6 62 10 - 4.9-11.2 H GLU 44 - HD2 LYS 47 far 5 34 15 - 5.0-8.5 HD22 ASN 10 - HD3 LYS 12 far 3 62 5 - 4.6-10.6 HD22 ASN 10 - HD2 LYS 33 far 1 28 5 - 4.7-10.0 HD22 ASN 10 - HD3 LYS 33 far 0 28 0 - 5.6-8.6 H LEU 14 - HD2 LYS 12 far 0 79 0 - 5.9-8.8 H LEU 14 - HD3 LYS 12 far 0 79 0 - 6.3-8.6 H LYS 24 - HD3 LYS 20 far 0 54 0 - 6.5-9.2 H LYS 24 - HD2 LYS 20 far 0 60 0 - 6.5-9.4 H ILE 76 - HD2 LYS 73 far 0 56 0 - 6.8-9.9 H LEU 14 - HD3 LYS 20 far 0 44 0 - 8.2-12.2 H LEU 14 - HD2 LYS 20 far 0 49 0 - 8.5-11.4 HD22 ASN 10 - HD3 LYS 13 far 0 71 0 - 8.9-15.2 HD22 ASN 10 - HD2 LYS 13 far 0 72 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 1118 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 3.60 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-4.1 1096/3.0=57, 4.9=38...(77) HA LYS 24 + HD2 LYS 24 OK 95 100 95 100 2.0-4.6 1096/3.0=57, 4.9=38...(74) HA LYS 66 - HD2 LYS 73 far 0 47 0 - 6.1-10.6 HA ARG 46 - HD2 LYS 47 far 0 35 0 - 6.4-8.0 HA ARG 46 - HD3 LYS 47 far 0 36 0 - 6.5-7.9 HA PRO 86 - HD2 LYS 13 far 0 98 0 - 6.9-10.1 HA PRO 86 - HB3 ARG 91 far 0 51 0 - 7.6-9.7 HA LYS 24 - HD3 LYS 20 far 0 54 0 - 7.8-11.3 HA LYS 24 - HD2 LYS 20 far 0 60 0 - 8.4-11.6 HA PRO 86 - HD3 LYS 20 far 0 51 0 - 8.4-12.7 HA PRO 86 - HD3 LYS 13 far 0 97 0 - 8.5-11.0 HA PRO 86 - HD2 LYS 20 far 0 57 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 1119 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.83 A): 11 out of 51 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 93 100 95 98 2.5-3.8 3.6=50, 3.0/1107=16...(107) HB3 LYS 24 + HD2 LYS 24 OK 83 100 85 98 2.5-3.9 3.6=50, 3.0/1107=16...(107) HB3 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.1-3.5 3.6=49, 3.0/3233=10...(117) HB2 LYS 73 + HD2 LYS 73 OK 50 59 85 99 2.3-4.2 3.6=49, 3.0/3233=10...(124) HB3 LYS 24 + HD3 LYS 24 OK 44 100 45 98 2.1-4.2 3.6=50, 3.0/1118=17...(107) * HB2 LYS 24 + HD3 LYS 24 OK 39 100 40 98 2.4-4.2 3.6=50, 3.0/1118=17...(109) HB2 LYS 47 + HD2 LYS 47 OK 39 50 80 97 2.2-3.8 3.9=37, 2134/6775=12...(95) HB2 LYS 47 + HD3 LYS 47 OK 35 51 70 98 3.1-4.0 3.9=37, 2134/6775=12...(96) HB3 LYS 20 + HD3 LYS 20 OK 33 37 95 95 2.0-3.7 3.5=52, ~848=10...(64) HB3 LYS 20 + HD2 LYS 20 OK 31 41 80 95 2.0-4.2 3.5=52, ~848=10...(64) HB3 LYS 47 + HD2 LYS 47 OK 24 25 100 97 2.0-3.7 3.9=37, 4.0/6775=11...(105) HB3 LYS 47 - HD3 LYS 47 poor 18 25 70 - 2.3-4.2 HB3 GLU 44 - HD3 LYS 47 poor 9 25 35 - 3.0-7.9 HB3 ARG 19 - HD2 LYS 20 far 5 36 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 5 32 15 - 2.9-8.1 HB3 GLU 44 - HD2 LYS 47 far 1 25 5 - 2.8-8.6 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 44 0 - 4.3-8.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.3-9.3 HB2 GLU 17 - HD2 LYS 20 far 0 49 0 - 4.3-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 25 0 - 4.5-8.8 QE MET 74 - HD2 LYS 73 far 0 29 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 60 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 46 - HD3 LYS 47 far 0 51 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 50 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 48 0 - 5.2-8.1 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.5-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 90 0 - 5.9-9.8 HB2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.5-11.0 HB2 GLU 37 - HD2 LYS 33 far 0 41 0 - 6.6-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 89 0 - 6.9-10.7 HB2 GLU 37 - HD3 LYS 33 far 0 41 0 - 7.0-8.0 HB3 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.1-11.4 HB3 ARG 19 - HD2 LYS 12 far 0 61 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 43 0 - 7.5-10.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 7.7-12.8 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 7.8-13.1 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 61 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 7.8-8.5 QE MET 74 - HD3 LYS 47 far 0 24 0 - 8.0-10.4 QE MET 74 - HD2 LYS 47 far 0 24 0 - 8.1-10.8 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 8.5-13.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.4-12.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.83 A): 11 out of 51 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 93 100 95 98 2.5-3.8 3.6=50, 3.0/1107=16...(107) HB3 LYS 24 + HD2 LYS 24 OK 83 100 85 98 2.5-3.9 3.6=50, 3.0/1107=16...(107) HB3 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.1-3.5 3.6=49, 3.0/3233=10...(117) HB2 LYS 73 + HD2 LYS 73 OK 50 59 85 99 2.3-4.2 3.6=49, 3.0/3233=10...(124) * HB3 LYS 24 + HD3 LYS 24 OK 44 100 45 98 2.1-4.2 3.6=50, 3.0/1118=17...(107) HB2 LYS 24 + HD3 LYS 24 OK 39 100 40 98 2.4-4.2 3.6=50, 3.0/1118=17...(109) HB2 LYS 47 + HD2 LYS 47 OK 39 50 80 97 2.2-3.8 3.9=37, 2134/6775=12...(95) HB2 LYS 47 + HD3 LYS 47 OK 35 51 70 98 3.1-4.0 3.9=37, 2134/6775=12...(96) HB3 LYS 20 + HD3 LYS 20 OK 33 37 95 95 2.0-3.7 3.5=52, ~848=10...(64) HB3 LYS 20 + HD2 LYS 20 OK 31 41 80 95 2.0-4.2 3.5=52, ~848=10...(64) HB3 LYS 47 + HD2 LYS 47 OK 24 25 100 97 2.0-3.7 3.9=37, 4.0/6775=11...(105) HB3 LYS 47 - HD3 LYS 47 poor 18 25 70 - 2.3-4.2 HB3 GLU 44 - HD3 LYS 47 poor 9 25 35 - 3.0-7.9 HB3 ARG 19 - HD2 LYS 20 far 5 36 15 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 5 32 15 - 2.9-8.1 HB3 GLU 44 - HD2 LYS 47 far 1 25 5 - 2.8-8.6 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 44 0 - 4.3-8.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.3-9.3 HB2 GLU 17 - HD2 LYS 20 far 0 49 0 - 4.3-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 25 0 - 4.5-8.8 QE MET 74 - HD2 LYS 73 far 0 29 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 60 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 46 - HD3 LYS 47 far 0 51 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 50 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 48 0 - 5.2-8.1 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.5-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 90 0 - 5.9-9.8 HB2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.5-11.0 HB2 GLU 37 - HD2 LYS 33 far 0 41 0 - 6.6-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 89 0 - 6.9-10.7 HB2 GLU 37 - HD3 LYS 33 far 0 41 0 - 7.0-8.0 HB3 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.1-11.4 HB3 ARG 19 - HD2 LYS 12 far 0 61 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 43 0 - 7.5-10.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 7.7-12.8 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 7.8-13.1 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 7.8-8.5 HB3 ARG 19 - HD3 LYS 12 far 0 61 0 - 7.8-12.1 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 7.8-8.5 QE MET 74 - HD3 LYS 47 far 0 24 0 - 8.0-10.4 QE MET 74 - HD2 LYS 47 far 0 24 0 - 8.1-10.8 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 8.5-13.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.4-12.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 9.6-13.3 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 2.4-3.0 3.0=54, 3.7/1118=9...(52) HG2 LYS 24 + HD2 LYS 24 OK 89 100 100 89 2.3-3.0 3.0=54, 1091/1.8=9...(48) HG3 LYS 12 + HD2 LYS 12 OK 84 91 100 93 2.2-3.0 3.0=52, 464/3.0=22...(41) HG3 LYS 12 + HD3 LYS 12 OK 84 91 100 93 2.5-3.0 3.0=52, 464/3.0=22...(41) HG3 LYS 73 + HD2 LYS 73 OK 50 56 100 88 2.2-3.0 3.0=54, 3278/1.8=9...(57) HG3 LYS 47 + HD3 LYS 47 OK 24 27 100 90 2.2-3.0 3.0=53, 1.8/2164=7...(63) HG3 LYS 47 + HD2 LYS 47 OK 24 27 100 90 2.4-3.0 3.0=53, 1.8/2164=7...(57) HG2 LYS 33 - HD3 LYS 33 poor 19 22 100 87 2.4-2.9 3.0=53, 3.9/1420=11...(41) HG2 LYS 33 - HD2 LYS 33 poor 19 22 100 86 2.2-3.0 3.0=53, 1.8/2926=10...(40) HG2 ARG 19 - HD2 LYS 20 far 3 60 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 54 0 - 3.9-9.2 HD2 LYS 94 - HB3 ARG 91 far 0 26 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 53 0 - 4.5-7.6 HG3 LYS 12 - HD2 LYS 13 far 0 99 0 - 5.3-9.2 HG3 LYS 90 - HD3 LYS 20 far 0 54 0 - 5.5-10.4 HG3 LYS 12 - HD3 LYS 13 far 0 98 0 - 5.6-9.4 HG3 LYS 90 - HD2 LYS 20 far 0 60 0 - 6.1-10.5 HD2 LYS 66 - HD2 LYS 73 far 0 54 0 - 6.6-14.4 HG2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 57 0 - 7.2-11.0 HB3 LEU 29 - HD3 LYS 20 far 0 52 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.6-11.8 HG2 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.6-11.3 HG3 LYS 12 - HD2 LYS 33 far 0 44 0 - 7.9-10.9 HG2 ARG 19 - HD3 LYS 24 far 0 100 0 - 8.0-13.8 HD3 LYS 94 - HD2 LYS 24 far 0 98 0 - 8.1-12.1 HG3 LYS 12 - HD3 LYS 33 far 0 44 0 - 8.4-11.1 HG2 ARG 19 - HD2 LYS 24 far 0 100 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 100 0 - 8.5-12.3 HB3 GLU 28 - HD2 LYS 47 far 0 39 0 - 8.5-16.0 HG2 LYS 33 - HD2 LYS 12 far 0 52 0 - 8.6-12.2 HG LEU 27 - HD2 LYS 24 far 0 98 0 - 8.6-10.7 HG2 LYS 33 - HD3 LYS 12 far 0 52 0 - 8.7-13.3 HD2 LYS 94 - HD2 LYS 24 far 0 61 0 - 8.7-12.6 HB3 GLU 28 - HD3 LYS 47 far 0 40 0 - 8.7-16.3 HG3 LYS 90 - HD2 LYS 13 far 0 100 0 - 8.8-13.3 HD2 LYS 94 - HD3 LYS 24 far 0 61 0 - 8.9-12.4 HD3 LYS 94 - HD3 LYS 24 far 0 98 0 - 8.9-11.9 HG LEU 27 - HD3 LYS 24 far 0 98 0 - 9.0-10.5 HB2 ARG 30 - HD2 LYS 33 far 0 40 0 - 9.2-11.4 HG3 LYS 90 - HD2 LYS 24 far 0 100 0 - 9.2-12.6 HG2 ARG 19 - HD3 LYS 13 far 0 99 0 - 9.3-13.8 HB2 ARG 30 - HD3 LYS 33 far 0 40 0 - 9.4-12.4 HG2 ARG 19 - HD2 LYS 13 far 0 100 0 - 9.5-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 58 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 99 0 - 9.6-13.1 HB3 LEU 29 - HD3 LYS 24 far 0 99 0 - 9.7-12.8 HG3 LYS 90 - HD3 LYS 13 far 0 99 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 1122 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.45 A): 10 out of 33 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=57, 1096/4.9=12...(42) HG3 LYS 24 + HD2 LYS 24 OK 91 100 100 91 2.4-3.0 3.0=57, 1096/4.9=12...(38) HG3 LYS 13 + HD2 LYS 13 OK 87 98 100 89 2.4-3.0 3.0=57, 486/487=10...(32) HG3 LYS 13 + HD3 LYS 13 OK 87 97 100 89 2.2-3.0 3.0=57, 486/487=10...(33) HG2 LYS 73 + HD2 LYS 73 OK 48 53 100 91 2.2-3.0 3.0=57, 3267/1.8=8...(54) 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 2.2-3.0 3.0=56, 1.8/2175=11...(58) HG3 LYS 33 + HD3 LYS 33 OK 40 46 100 89 2.5-2.9 3.0=57, 1418/1419=13...(35) HG2 LYS 47 + HD2 LYS 47 OK 40 44 100 92 2.4-3.0 3.0=56, 1.8/2175=11...(54) HG3 LYS 33 + HD2 LYS 33 OK 40 46 100 89 2.4-2.9 3.0=57, 1495/3.0=12...(36) HB2 LEU 14 - HD2 LYS 13 far 0 96 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 89 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 49 0 - 5.7-12.1 HG3 LYS 13 - HD2 LYS 12 far 0 89 0 - 6.1-9.0 HG LEU 2 - HD3 LYS 47 far 0 51 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 95 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.4-10.2 HG3 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.8-9.4 HG3 LYS 33 - HD2 LYS 12 far 0 92 0 - 7.3-10.9 HG2 LYS 66 - HD2 LYS 73 far 0 53 0 - 7.4-12.7 HB2 LEU 14 - HD2 LYS 12 far 0 87 0 - 7.7-11.1 HG LEU 57 - HB3 ARG 91 far 0 52 0 - 7.7-9.7 HG3 LYS 33 - HD3 LYS 12 far 0 92 0 - 7.9-12.0 HG3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 87 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 54 0 - 8.3-12.9 HG3 ARG 30 - HD2 LYS 33 far 0 36 0 - 9.3-12.4 HB2 LEU 14 - HD3 LYS 20 far 0 49 0 - 9.4-13.1 HB2 LEU 14 - HD2 LYS 20 far 0 55 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 87 0 - 9.7-13.5 HB ILE 7 - HD2 LYS 20 far 0 55 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 41 0 - 10.0-17.2 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): 16 out of 66 assignments used, quality = 1.00: HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1143/3.0=9...(83) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 1132/3.0=9...(83) * HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1132/3.0=8...(83) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 1143/3.0=8...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=94, 474/3.0=12...(67) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(67) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(47) HE2 LYS 73 + HD2 LYS 73 OK 56 57 100 98 2.3-3.0 3.0=89, 3309/3.0=7...(77) HE3 LYS 73 + HD2 LYS 73 OK 53 53 100 99 2.2-3.0 3.0=89, 3308/3.0=6...(76) HE2 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=91, 2176/3.0=8...(79) HE3 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.2-3.0 3.0=91, 2176/3.0=8...(79) HE2 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.2-3.0 3.0=91, 2206/3.0=10...(79) HE3 LYS 90 - HB3 ARG 91 far 2 39 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 71 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 39 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 54 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 92 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 43 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 50 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 42 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 92 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 48 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 54 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 46 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 60 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 41 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 46 0 - 7.1-13.0 HE3 LYS 90 - HD3 LYS 13 far 0 82 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 54 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 26 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 26 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 83 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 59 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 54 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 60 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 77 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 30 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 30 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 78 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 1126 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 16 out of 66 assignments used, quality = 1.00: HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1143/3.0=9...(83) * HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 1132/3.0=9...(83) HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1132/3.0=8...(83) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 1143/3.0=8...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.4-3.0 2.9=94, 474/3.0=12...(67) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(67) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 576/3.0=12...(67) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(47) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(47) HE2 LYS 73 + HD2 LYS 73 OK 56 57 100 98 2.3-3.0 3.0=89, 3309/3.0=7...(77) HE3 LYS 73 + HD2 LYS 73 OK 53 53 100 99 2.2-3.0 3.0=89, 3308/3.0=6...(76) HE2 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.2-3.0 3.0=91, 2217/3.0=10...(79) HE3 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=91, 2176/3.0=8...(79) HE3 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.2-3.0 3.0=91, 2176/3.0=8...(79) HE2 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.2-3.0 3.0=91, 2206/3.0=10...(79) HE3 LYS 90 - HB3 ARG 91 far 2 39 5 - 3.7-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 71 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 39 0 - 4.5-12.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 4.6-11.6 HE3 LYS 24 - HD3 LYS 20 far 0 54 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 92 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 5.2-7.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 5.4-12.0 HG2 MET 21 - HB3 ARG 91 far 0 43 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 50 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 42 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 92 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 48 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 54 0 - 6.6-14.0 HE3 LYS 12 - HD2 LYS 33 far 0 46 0 - 6.6-12.6 HE2 LYS 13 - HD2 LYS 20 far 0 60 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 6.7-10.9 HB2 PHE 45 - HD2 LYS 47 far 0 41 0 - 6.9-9.4 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.9-10.7 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 7.0-11.4 HE3 LYS 12 - HD3 LYS 33 far 0 46 0 - 7.1-13.0 HE3 LYS 90 - HD3 LYS 13 far 0 82 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 54 0 - 7.6-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 26 0 - 7.7-11.1 HB2 ASN 10 - HD2 LYS 33 far 0 26 0 - 7.9-11.6 HE3 LYS 90 - HD2 LYS 13 far 0 83 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 59 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 54 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 60 0 - 8.2-15.0 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 8.4-13.2 HB2 SER 9 - HD3 LYS 13 far 0 77 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.6-13.4 HB2 SER 9 - HD3 LYS 33 far 0 30 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 30 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 78 0 - 8.9-12.0 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 9.6-12.6 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 1127 from cnoeabs.peaks (7.71, 1.70, 28.90 ppm; 5.23 A): 6 out of 15 assignments used, quality = 1.00: * H ALA 25 + HD3 LYS 24 OK 100 100 100 100 4.9-6.0 6402/3.0=74, 6400/3.6=53...(9) H ALA 25 + HD2 LYS 24 OK 90 100 90 100 4.5-6.3 6402/3.0=74, 6404=60...(10) H MET 21 + HD2 LYS 20 OK 41 44 95 99 4.1-6.2 6325/3.5=69, 6324/3.5=67...(12) H MET 21 + HD3 LYS 20 OK 37 39 95 99 4.1-6.3 6325/3.5=69, 6324/3.5=67...(11) H MET 74 + HD2 LYS 73 OK 28 32 95 92 3.8-6.2 7220/3.0=41, 7219/3.0=40...(11) H MET 21 + HD3 LYS 24 OK 21 84 25 98 4.7-8.2 3.0/11063=85, ~8565=35...(7) H SER 49 - HD2 LYS 47 far 7 45 15 - 5.9-9.8 H MET 21 - HD2 LYS 24 far 4 84 5 - 5.3-8.0 H SER 49 - HD3 LYS 47 far 0 46 0 - 6.7-8.9 H GLU 37 - HD2 LYS 33 far 0 28 0 - 7.4-9.0 H GLU 37 - HD3 LYS 33 far 0 28 0 - 7.8-8.8 H SER 85 - HB3 ARG 91 far 0 43 0 - 7.9-10.8 H ALA 25 - HD2 LYS 20 far 0 60 0 - 8.9-11.6 H ALA 25 - HD3 LYS 20 far 0 54 0 - 8.9-11.5 H MET 21 - HB3 ARG 91 far 0 39 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 1128 from cnoeabs.peaks (7.57, 2.96, 41.80 ppm; 6.05 A): 5 out of 14 assignments used, quality = 1.00: * H LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.4-6.4 6385/3.7=93, 6386/3.7=90...(17) H LYS 24 + HE3 LYS 24 OK 100 100 100 100 3.8-6.8 6385/3.7=93, 6386/3.7=90...(17) H LEU 14 + HE2 LYS 13 OK 67 91 75 98 5.4-7.5 6191/3.8=72, 6182/7.3=48...(9) H LEU 14 + HE3 LYS 13 OK 66 90 75 98 5.5-7.3 6191/3.8=72, 6182/7.3=48...(9) H GLU 88 + HE3 LYS 90 OK 40 68 65 91 5.1-7.4 7398/7.0=46, 3.6/9906=45...(10) H GLU 44 - HE3 LYS 47 poor 18 73 25 - 4.5-10.1 H GLU 44 - HE2 LYS 47 poor 15 73 20 - 5.7-9.5 HD22 ASN 10 - HE3 LYS 12 far 11 73 15 - 4.6-11.5 H LEU 14 - HE3 LYS 90 far 3 56 5 - 6.2-12.0 H LEU 14 - HE3 LYS 12 far 0 90 0 - 7.4-9.6 H ILE 76 - HE3 LYS 73 far 0 85 0 - 8.1-11.4 H ILE 76 - HE2 LYS 73 far 0 92 0 - 8.6-11.4 H LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-12.5 HD22 ASN 10 - HE3 LYS 13 far 0 73 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 1130 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 12 out of 42 assignments used, quality = 1.00: HB2 LYS 47 + HE2 LYS 47 OK 75 95 80 99 2.0-4.6 4.9=33, 1.8/2155=15...(104) HB2 LYS 47 + HE3 LYS 47 OK 75 95 80 99 2.0-4.4 4.9=33, 1.8/2154=15...(104) HB3 LYS 73 + HE2 LYS 73 OK 66 96 70 99 2.5-4.8 4.9=32, 4.1/7211=9...(119) HB3 LYS 73 + HE3 LYS 73 OK 62 89 70 99 2.1-4.6 4.9=32, 4.1/7211=9...(119) HB3 LYS 24 + HE2 LYS 24 OK 59 100 60 99 2.1-5.5 4.9=31, 3.0/12306=14...(101) * HB2 LYS 24 + HE2 LYS 24 OK 49 100 50 98 2.1-5.0 4.9=31, 3.0/12306=14...(101) HB3 LYS 24 + HE3 LYS 24 OK 44 100 45 99 2.3-5.4 4.9=31, 3.0/12306=14...(101) HB2 LYS 24 + HE3 LYS 24 OK 39 100 40 99 2.2-5.4 4.9=31, 3.0/12306=14...(101) HB3 LYS 47 + HE2 LYS 47 OK 38 55 70 99 2.0-5.0 4.9=33, 3.0/2177=11...(111) HB3 LYS 47 + HE3 LYS 47 OK 38 55 70 98 2.7-5.0 4.9=33, 3.0/2176=11...(111) HB2 LYS 73 + HE2 LYS 73 OK 33 96 35 99 3.4-5.1 4.9=32, 4.1/7211=9...(119) HB2 GLU 17 + HE3 LYS 90 OK 23 56 60 68 2.0-6.0 3.0/11024=29...(10) HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 3.3-5.2 HB3 ARG 46 - HE3 LYS 47 far 14 95 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 14 95 15 - 3.7-9.9 HB2 ARG 46 - HE3 LYS 47 far 14 92 15 - 3.8-9.5 HB2 ARG 46 - HE2 LYS 47 far 9 92 10 - 3.7-9.4 HB3 GLU 44 - HE2 LYS 47 far 5 55 10 - 3.3-8.8 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.1-9.5 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.3-9.9 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.6-9.8 QE MET 74 - HE2 LYS 73 far 0 54 0 - 4.8-9.3 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.9-10.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 5.2-9.5 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.3-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 6.9-14.2 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.1-11.8 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 7.5-12.4 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 7.9-14.2 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.1-11.6 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 8.3-14.3 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-12.7 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 12 out of 42 assignments used, quality = 1.00: HB2 LYS 47 + HE2 LYS 47 OK 75 95 80 99 2.0-4.6 4.9=33, 1.8/2155=15...(104) HB2 LYS 47 + HE3 LYS 47 OK 75 95 80 99 2.0-4.4 4.9=33, 1.8/2154=15...(104) HB3 LYS 73 + HE2 LYS 73 OK 66 96 70 99 2.5-4.8 4.9=32, 4.1/7211=9...(119) HB3 LYS 73 + HE3 LYS 73 OK 62 89 70 99 2.1-4.6 4.9=32, 4.1/7211=9...(119) * HB3 LYS 24 + HE2 LYS 24 OK 59 100 60 99 2.1-5.5 4.9=31, 3.0/12306=14...(101) HB2 LYS 24 + HE2 LYS 24 OK 49 100 50 98 2.1-5.0 4.9=31, 3.0/12306=14...(101) HB3 LYS 24 + HE3 LYS 24 OK 44 100 45 99 2.3-5.4 4.9=31, 3.0/12306=14...(101) HB2 LYS 24 + HE3 LYS 24 OK 39 100 40 99 2.2-5.4 4.9=31, 3.0/12306=14...(101) HB3 LYS 47 + HE2 LYS 47 OK 38 55 70 99 2.0-5.0 4.9=33, 3.0/2177=11...(111) HB3 LYS 47 + HE3 LYS 47 OK 38 55 70 98 2.7-5.0 4.9=33, 3.0/2176=11...(111) HB2 LYS 73 + HE2 LYS 73 OK 33 96 35 99 3.4-5.1 4.9=32, 4.1/7211=9...(119) HB2 GLU 17 + HE3 LYS 90 OK 23 56 60 68 2.0-6.0 3.0/11024=29...(10) HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 3.3-5.2 HB3 ARG 46 - HE3 LYS 47 far 14 95 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 14 95 15 - 3.7-9.9 HB2 ARG 46 - HE3 LYS 47 far 14 92 15 - 3.8-9.5 HB2 ARG 46 - HE2 LYS 47 far 9 92 10 - 3.7-9.4 HB3 GLU 44 - HE2 LYS 47 far 5 55 10 - 3.3-8.8 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.1-9.5 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.3-9.9 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.6-9.8 QE MET 74 - HE2 LYS 73 far 0 54 0 - 4.8-9.3 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.9-10.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 5.2-9.5 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.3-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 6.9-14.2 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.1-11.8 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 7.5-12.4 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 7.9-14.2 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.1-11.6 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 8.3-14.3 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-12.7 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.7-14.4 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 34 assignments used, quality = 1.00: HG2 LYS 24 + HE3 LYS 24 OK 94 100 100 94 2.4-3.7 3.7=43, 1121/3.0=9...(71) * HG2 LYS 24 + HE2 LYS 24 OK 79 100 85 93 2.0-3.9 3.7=43, 1121/3.0=9...(71) HG3 LYS 73 + HE2 LYS 73 OK 74 93 85 93 2.4-4.0 4.0=35, 3298/3.0=17...(70) HG3 LYS 90 + HE3 LYS 90 OK 54 68 100 80 2.1-3.7 3.8=41, 1.8/4005=19...(15) HG3 LYS 73 + HE3 LYS 73 OK 48 86 60 93 2.3-4.2 4.0=35, 3298/3.0=17...(70) HG3 LYS 12 + HE3 LYS 12 OK 45 99 50 91 2.4-4.2 4.0=36, ~463=28, ~423=21...(36) HG3 LYS 47 + HE2 LYS 47 OK 44 58 80 94 2.4-4.2 3.8=42, 3.0/2154=8...(73) HG3 LYS 47 + HE3 LYS 47 OK 36 58 65 94 2.0-4.2 3.8=42, 1.8/2216=9...(73) HG3 LYS 12 - HE2 LYS 13 far 0 99 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 91 0 - 6.2-13.7 HD3 LYS 94 - HE3 LYS 90 far 0 64 0 - 6.3-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 35 0 - 7.7-11.2 HG2 ARG 19 - HE3 LYS 12 far 0 100 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 84 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 98 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 61 0 - 8.2-13.0 HB3 GLU 28 - HE2 LYS 47 far 0 81 0 - 8.2-16.2 HG2 ARG 19 - HE3 LYS 90 far 0 68 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.3-12.2 HG LEU 27 - HE2 LYS 24 far 0 98 0 - 8.5-11.7 HG2 LYS 33 - HE3 LYS 12 far 0 61 0 - 8.6-13.8 HB3 GLU 28 - HE3 LYS 47 far 0 81 0 - 8.8-16.9 HG3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-15.4 HG3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 98 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 61 0 - 9.6-12.9 HB3 LEU 29 - HE3 LYS 90 far 0 65 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 24 far 0 98 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 99 0 - 9.7-14.1 HG3 LYS 90 - HE3 LYS 24 far 0 100 0 - 9.8-13.3 HG2 ARG 19 - HE3 LYS 24 far 0 100 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 100 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 99 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.16 A): 8 out of 26 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 94 100 95 99 2.2-4.1 3.7=61, 1.8/1143=13...(103) HG3 LYS 13 + HE2 LYS 13 OK 89 98 95 95 2.6-4.1 3.8=56, 486/6.0=14...(69) HG2 LYS 73 + HE2 LYS 73 OK 88 90 100 98 2.0-4.0 4.0=49, 3297/3.0=12...(108) HG2 LYS 47 + HE3 LYS 47 OK 87 88 100 99 2.1-3.8 3.8=59, 1.8/2177=13...(117) HG2 LYS 73 + HE3 LYS 73 OK 82 83 100 99 2.2-3.9 4.0=49, 3297/3.0=12...(108) HG3 LYS 13 + HE3 LYS 13 OK 79 98 85 95 2.1-4.2 3.8=56, 486/6.0=14...(69) HG2 LYS 47 + HE2 LYS 47 OK 78 88 90 99 2.0-4.2 3.8=59, 1.8/2217=15...(117) HG3 LYS 24 + HE3 LYS 24 OK 74 100 75 99 2.1-4.2 3.7=61, 1.8/1132=15...(103) HB2 ARG 91 - HE3 LYS 90 far 8 55 15 - 3.9-9.5 HG LEU 2 - HE2 LYS 47 far 0 94 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 94 0 - 5.3-12.9 HG3 LYS 13 - HE3 LYS 12 far 0 98 0 - 5.4-10.6 HB2 LEU 14 - HE3 LYS 90 far 0 63 0 - 5.7-11.0 HB2 LEU 14 - HE3 LYS 13 far 0 96 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 97 0 - 7.3-9.7 HB ILE 7 - HE3 LYS 90 far 0 63 0 - 7.3-13.5 HG3 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.5-12.5 HG LEU 57 - HE3 LYS 90 far 0 67 0 - 7.8-11.7 HG2 LYS 66 - HE2 LYS 73 far 0 89 0 - 8.3-11.8 HG3 LYS 13 - HE3 LYS 90 far 0 65 0 - 8.4-14.4 HG3 LYS 66 - HE2 LYS 73 far 0 91 0 - 8.5-11.8 HG3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.5-13.8 HG2 LYS 66 - HE3 LYS 73 far 0 82 0 - 9.4-12.7 HB ILE 7 - HE3 LYS 12 far 0 97 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 84 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 97 0 - 9.8-11.7 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 71 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 92 99 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) * HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.4-3.0 3.0=69, 1121/3.7=6...(57) 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 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 82 90 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(50) HD3 LYS 47 + HE3 LYS 47 OK 81 90 100 90 2.3-3.0 3.0=69, 3.0/2177=7...(49) HD2 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 47 + HE3 LYS 47 OK 80 90 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 66 74 100 89 2.3-3.0 3.0=68, 3298/4.0=7...(46) HD3 LYS 73 + HE2 LYS 73 OK 63 71 100 89 2.2-3.0 3.0=68, 3298/4.0=7...(50) HD2 LYS 73 + HE3 LYS 73 OK 60 67 100 89 2.2-3.0 3.0=68, 3298/4.0=7...(46) HD3 LYS 90 + HE3 LYS 90 OK 57 68 100 84 2.3-3.0 3.0=70, 2.9/4005=12...(13) HD3 LYS 73 + HE3 LYS 73 OK 57 64 100 89 2.2-3.0 3.0=68, 3298/4.0=7...(50) HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 91 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 69 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 91 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 91 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 86 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 59 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 91 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 78 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 78 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 94 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 78 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 78 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 89 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 69 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 90 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 69 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 94 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.7-13.7 HG3 LYS 20 - HE3 LYS 12 far 0 90 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 90 0 - 10.0-14.9 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 71 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 92 99 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.4-3.0 3.0=69, 1121/3.7=6...(57) * 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 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD3 LYS 47 + HE3 LYS 47 OK 80 90 100 90 2.3-3.0 3.0=69, 3.0/2176=7...(49) HD2 LYS 47 + HE2 LYS 47 OK 80 89 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(50) HD2 LYS 47 + HE3 LYS 47 OK 80 89 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 64 72 100 89 2.3-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE2 LYS 73 OK 61 69 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(50) HD2 LYS 73 + HE3 LYS 73 OK 58 65 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 90 + HE3 LYS 90 OK 57 68 100 84 2.3-3.0 3.0=70, 2.9/4005=12...(13) HD3 LYS 73 + HE3 LYS 73 OK 56 62 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(50) HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 90 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 71 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 90 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 90 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 80 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 90 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 89 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 80 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 80 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 41 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 90 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 68 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 71 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 71 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 93 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 89 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.7-13.7 HG3 LYS 20 - HE3 LYS 12 far 0 89 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 10.0-14.9 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): 5 out of 14 assignments used, quality = 1.00: H LYS 24 + HE2 LYS 24 OK 100 100 100 100 3.4-6.4 6385/3.7=93, 6386/3.7=90...(17) * H LYS 24 + HE3 LYS 24 OK 100 100 100 100 3.8-6.8 6385/3.7=93, 6386/3.7=90...(17) H LEU 14 + HE2 LYS 13 OK 67 91 75 98 5.4-7.5 6191/3.8=72, 6182/7.3=48...(9) H LEU 14 + HE3 LYS 13 OK 66 90 75 98 5.5-7.3 6191/3.8=72, 6182/7.3=48...(9) H GLU 88 + HE3 LYS 90 OK 40 68 65 91 5.1-7.4 7398/7.0=46, 3.6/9906=45...(10) H GLU 44 - HE3 LYS 47 poor 18 73 25 - 4.5-10.1 H GLU 44 - HE2 LYS 47 poor 15 73 20 - 5.7-9.5 HD22 ASN 10 - HE3 LYS 12 far 11 73 15 - 4.6-11.5 H LEU 14 - HE3 LYS 90 far 3 56 5 - 6.2-12.0 H LEU 14 - HE3 LYS 12 far 0 90 0 - 7.4-9.6 H ILE 76 - HE3 LYS 73 far 0 85 0 - 8.1-11.4 H ILE 76 - HE2 LYS 73 far 0 92 0 - 8.6-11.4 H LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-12.5 HD22 ASN 10 - HE3 LYS 13 far 0 73 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 12 out of 42 assignments used, quality = 1.00: HB2 LYS 47 + HE2 LYS 47 OK 75 95 80 99 2.0-4.6 4.9=33, 1.8/2155=15...(104) HB2 LYS 47 + HE3 LYS 47 OK 75 95 80 99 2.0-4.4 4.9=33, 1.8/2154=15...(104) HB3 LYS 73 + HE2 LYS 73 OK 66 96 70 99 2.5-4.8 4.9=32, 4.1/7211=9...(119) HB3 LYS 73 + HE3 LYS 73 OK 62 89 70 99 2.1-4.6 4.9=32, 4.1/7211=9...(119) HB3 LYS 24 + HE2 LYS 24 OK 59 100 60 99 2.1-5.5 4.9=31, 3.0/12306=14...(101) HB2 LYS 24 + HE2 LYS 24 OK 49 100 50 98 2.1-5.0 4.9=31, 3.0/12306=14...(101) HB3 LYS 24 + HE3 LYS 24 OK 44 100 45 99 2.3-5.4 4.9=31, 3.0/12306=14...(101) * HB2 LYS 24 + HE3 LYS 24 OK 39 100 40 99 2.2-5.4 4.9=31, 3.0/12306=14...(101) HB3 LYS 47 + HE2 LYS 47 OK 38 55 70 99 2.0-5.0 4.9=33, 3.0/2177=11...(111) HB3 LYS 47 + HE3 LYS 47 OK 38 55 70 98 2.7-5.0 4.9=33, 3.0/2176=11...(111) HB2 LYS 73 + HE2 LYS 73 OK 33 96 35 99 3.4-5.1 4.9=32, 4.1/7211=9...(119) HB2 GLU 17 + HE3 LYS 90 OK 23 56 60 68 2.0-6.0 3.0/11024=29...(10) HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 3.3-5.2 HB3 ARG 46 - HE3 LYS 47 far 14 95 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 14 95 15 - 3.7-9.9 HB2 ARG 46 - HE3 LYS 47 far 14 92 15 - 3.8-9.5 HB2 ARG 46 - HE2 LYS 47 far 9 92 10 - 3.7-9.4 HB3 GLU 44 - HE2 LYS 47 far 5 55 10 - 3.3-8.8 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.1-9.5 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.3-9.9 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.6-9.8 QE MET 74 - HE2 LYS 73 far 0 54 0 - 4.8-9.3 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.9-10.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 5.2-9.5 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.3-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 6.9-14.2 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.1-11.8 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 7.5-12.4 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 7.9-14.2 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.1-11.6 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 8.3-14.3 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-12.7 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 12 out of 42 assignments used, quality = 1.00: HB2 LYS 47 + HE2 LYS 47 OK 75 95 80 99 2.0-4.6 4.9=33, 1.8/2155=15...(104) HB2 LYS 47 + HE3 LYS 47 OK 75 95 80 99 2.0-4.4 4.9=33, 1.8/2154=15...(104) HB3 LYS 73 + HE2 LYS 73 OK 66 96 70 99 2.5-4.8 4.9=32, 4.1/7211=9...(119) HB3 LYS 73 + HE3 LYS 73 OK 62 89 70 99 2.1-4.6 4.9=32, 4.1/7211=9...(119) HB3 LYS 24 + HE2 LYS 24 OK 59 100 60 99 2.1-5.5 4.9=31, 3.0/12306=14...(101) HB2 LYS 24 + HE2 LYS 24 OK 49 100 50 98 2.1-5.0 4.9=31, 3.0/12306=14...(101) * HB3 LYS 24 + HE3 LYS 24 OK 44 100 45 99 2.3-5.4 4.9=31, 3.0/12306=14...(101) HB2 LYS 24 + HE3 LYS 24 OK 39 100 40 99 2.2-5.4 4.9=31, 3.0/12306=14...(101) HB3 LYS 47 + HE2 LYS 47 OK 38 55 70 99 2.0-5.0 4.9=33, 3.0/2177=11...(111) HB3 LYS 47 + HE3 LYS 47 OK 38 55 70 98 2.7-5.0 4.9=33, 3.0/2176=11...(111) HB2 LYS 73 + HE2 LYS 73 OK 33 96 35 99 3.4-5.1 4.9=32, 4.1/7211=9...(119) HB2 GLU 17 + HE3 LYS 90 OK 23 56 60 68 2.0-6.0 3.0/11024=29...(10) HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 3.3-5.2 HB3 ARG 46 - HE3 LYS 47 far 14 95 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 14 95 15 - 3.7-9.9 HB2 ARG 46 - HE3 LYS 47 far 14 92 15 - 3.8-9.5 HB2 ARG 46 - HE2 LYS 47 far 9 92 10 - 3.7-9.4 HB3 GLU 44 - HE2 LYS 47 far 5 55 10 - 3.3-8.8 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.1-9.5 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.3-9.9 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.6-9.8 QE MET 74 - HE2 LYS 73 far 0 54 0 - 4.8-9.3 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.9-10.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 5.2-9.5 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.3-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 6.9-14.2 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.1-11.8 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 7.5-12.4 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 7.9-14.2 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.1-11.6 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 8.3-14.3 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-12.7 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.7-14.4 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 34 assignments used, quality = 1.00: * HG2 LYS 24 + HE3 LYS 24 OK 94 100 100 94 2.4-3.7 3.7=43, 1121/3.0=9...(71) HG2 LYS 24 + HE2 LYS 24 OK 79 100 85 93 2.0-3.9 3.7=43, 1121/3.0=9...(71) HG3 LYS 73 + HE2 LYS 73 OK 74 93 85 93 2.4-4.0 4.0=35, 3298/3.0=17...(70) HG3 LYS 90 + HE3 LYS 90 OK 54 68 100 80 2.1-3.7 3.8=41, 1.8/4005=19...(15) HG3 LYS 73 + HE3 LYS 73 OK 48 86 60 93 2.3-4.2 4.0=35, 3298/3.0=17...(70) HG3 LYS 12 + HE3 LYS 12 OK 45 99 50 91 2.4-4.2 4.0=36, ~463=28, ~423=21...(36) HG3 LYS 47 + HE2 LYS 47 OK 44 58 80 94 2.4-4.2 3.8=42, 3.0/2154=8...(73) HG3 LYS 47 + HE3 LYS 47 OK 36 58 65 94 2.0-4.2 3.8=42, 1.8/2216=9...(73) HG3 LYS 12 - HE2 LYS 13 far 0 99 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 91 0 - 6.2-13.7 HD3 LYS 94 - HE3 LYS 90 far 0 64 0 - 6.3-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 35 0 - 7.7-11.2 HG2 ARG 19 - HE3 LYS 12 far 0 100 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 84 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 98 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 61 0 - 8.2-13.0 HB3 GLU 28 - HE2 LYS 47 far 0 81 0 - 8.2-16.2 HG2 ARG 19 - HE3 LYS 90 far 0 68 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.3-12.2 HG LEU 27 - HE2 LYS 24 far 0 98 0 - 8.5-11.7 HG2 LYS 33 - HE3 LYS 12 far 0 61 0 - 8.6-13.8 HB3 GLU 28 - HE3 LYS 47 far 0 81 0 - 8.8-16.9 HG3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-15.4 HG3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 98 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 61 0 - 9.6-12.9 HB3 LEU 29 - HE3 LYS 90 far 0 65 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 24 far 0 98 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 99 0 - 9.7-14.1 HG3 LYS 90 - HE3 LYS 24 far 0 100 0 - 9.8-13.3 HG2 ARG 19 - HE3 LYS 24 far 0 100 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 100 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 99 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 1144 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.16 A): 8 out of 26 assignments used, quality = 1.00: HG3 LYS 24 + HE2 LYS 24 OK 94 100 95 99 2.2-4.1 3.7=61, 1.8/1143=13...(103) HG3 LYS 13 + HE2 LYS 13 OK 89 98 95 95 2.6-4.1 3.8=56, 486/6.0=14...(69) HG2 LYS 73 + HE2 LYS 73 OK 88 90 100 98 2.0-4.0 4.0=49, 3297/3.0=12...(108) HG2 LYS 47 + HE3 LYS 47 OK 87 88 100 99 2.1-3.8 3.8=59, 1.8/2177=13...(117) HG2 LYS 73 + HE3 LYS 73 OK 82 83 100 99 2.2-3.9 4.0=49, 3297/3.0=12...(108) HG3 LYS 13 + HE3 LYS 13 OK 79 98 85 95 2.1-4.2 3.8=56, 486/6.0=14...(69) HG2 LYS 47 + HE2 LYS 47 OK 78 88 90 99 2.0-4.2 3.8=59, 1.8/2217=15...(117) * HG3 LYS 24 + HE3 LYS 24 OK 74 100 75 99 2.1-4.2 3.7=61, 1.8/1132=15...(103) HB2 ARG 91 - HE3 LYS 90 far 8 55 15 - 3.9-9.5 HG LEU 2 - HE2 LYS 47 far 0 94 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 94 0 - 5.3-12.9 HG3 LYS 13 - HE3 LYS 12 far 0 98 0 - 5.4-10.6 HB2 LEU 14 - HE3 LYS 90 far 0 63 0 - 5.7-11.0 HB2 LEU 14 - HE3 LYS 13 far 0 96 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 97 0 - 7.3-9.7 HB ILE 7 - HE3 LYS 90 far 0 63 0 - 7.3-13.5 HG3 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.5-12.5 HG LEU 57 - HE3 LYS 90 far 0 67 0 - 7.8-11.7 HG2 LYS 66 - HE2 LYS 73 far 0 89 0 - 8.3-11.8 HG3 LYS 13 - HE3 LYS 90 far 0 65 0 - 8.4-14.4 HG3 LYS 66 - HE2 LYS 73 far 0 91 0 - 8.5-11.8 HG3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.5-13.8 HG2 LYS 66 - HE3 LYS 73 far 0 82 0 - 9.4-12.7 HB ILE 7 - HE3 LYS 12 far 0 97 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 84 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 97 0 - 9.8-11.7 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 71 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 92 99 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) * HD2 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.4-3.0 3.0=69, 1121/3.7=6...(57) 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 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 82 90 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(50) HD3 LYS 47 + HE3 LYS 47 OK 81 90 100 90 2.3-3.0 3.0=69, 3.0/2177=7...(49) HD2 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 47 + HE3 LYS 47 OK 80 90 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 66 74 100 89 2.3-3.0 3.0=68, 3298/4.0=7...(46) HD3 LYS 73 + HE2 LYS 73 OK 63 71 100 89 2.2-3.0 3.0=68, 3298/4.0=7...(50) HD2 LYS 73 + HE3 LYS 73 OK 60 67 100 89 2.2-3.0 3.0=68, 3298/4.0=7...(46) HD3 LYS 90 + HE3 LYS 90 OK 57 68 100 84 2.3-3.0 3.0=70, 2.9/4005=12...(13) HD3 LYS 73 + HE3 LYS 73 OK 57 64 100 89 2.2-3.0 3.0=68, 3298/4.0=7...(50) HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 91 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 69 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 91 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 91 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 86 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 59 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 91 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 78 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 78 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 94 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 78 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 78 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 89 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 69 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 90 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 69 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 94 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.7-13.7 HG3 LYS 20 - HE3 LYS 12 far 0 90 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 90 0 - 10.0-14.9 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 71 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.4-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 92 99 100 92 2.2-3.0 2.9=72, 3.0/576=10...(52) HD2 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=69, 1121/3.7=6...(57) * HD3 LYS 24 + HE3 LYS 24 OK 92 100 100 92 2.4-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.4-3.0 3.0=69, 1121/3.7=6...(57) 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 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15, ~423=12...(31) HD3 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD3 LYS 47 + HE3 LYS 47 OK 80 90 100 90 2.3-3.0 3.0=69, 3.0/2176=7...(49) HD2 LYS 47 + HE2 LYS 47 OK 80 89 100 90 2.2-3.0 3.0=69, 3.0/2176=7...(50) HD2 LYS 47 + HE3 LYS 47 OK 80 89 100 90 2.2-3.0 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 64 72 100 89 2.3-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE2 LYS 73 OK 61 69 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(50) HD2 LYS 73 + HE3 LYS 73 OK 58 65 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 90 + HE3 LYS 90 OK 57 68 100 84 2.3-3.0 3.0=70, 2.9/4005=12...(13) HD3 LYS 73 + HE3 LYS 73 OK 56 62 100 89 2.2-3.0 3.0=68, 3298/4.0=6...(50) HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 90 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 71 0 - 4.4-7.6 HG3 LYS 20 - HE2 LYS 24 far 0 90 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 90 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 80 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 90 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 89 0 - 6.6-14.0 HD2 LYS 33 - HE3 LYS 12 far 0 80 0 - 6.6-12.6 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.7-13.3 HD3 LYS 33 - HE3 LYS 12 far 0 80 0 - 7.1-13.0 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 7.2-11.8 HB ILE 15 - HE3 LYS 90 far 0 41 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 90 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 68 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 71 0 - 8.0-9.9 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 71 0 - 8.2-10.7 HD2 LYS 20 - HE3 LYS 12 far 0 93 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 89 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.0-13.9 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.7-13.7 HG3 LYS 20 - HE3 LYS 12 far 0 89 0 - 9.9-15.3 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 10.0-14.9 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 2.9-2.9 3.0=100 H MET 21 - HA ALA 25 far 0 84 0 - 8.6-9.4 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 - 6.3-9.8 HB3 LEU 27 - HA ALA 25 far 0 100 0 - 7.0-7.4 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 3.1-3.3 3.6=100 H LEU 3 - HA ALA 25 far 0 100 0 - 9.2-11.0 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 6 assignments used, quality = 0.99: * HA ALA 22 + QB ALA 25 OK 98 100 100 98 2.4-3.1 1006=59, 6394/6408=44...(16) HA LYS 94 + QB ALA 25 OK 39 59 100 65 2.8-3.7 4174=17, 7566/10063=14...(10) HA SER 97 + QB ALA 25 OK 38 99 40 95 3.8-5.2 10069=54, 3.0/10073=45...(9) HA ARG 19 - QB ALA 25 far 0 95 0 - 7.1-8.0 HA2 GLY 100 - QB ALA 25 far 0 59 0 - 7.1-9.5 HA2 GLY 101 - QB ALA 25 far 0 59 0 - 9.6-12.3 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 2.2-2.4 2.9=100 H MET 21 - QB ALA 25 far 0 84 0 - 6.0-6.8 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 2 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 0 100 0 - 4.4-5.1 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 3.2-3.5 3.6=100 H LEU 3 - QB ALA 25 far 0 100 0 - 6.5-8.2 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 2.3-2.3 3.0=100 H LEU 3 - HA ASN 26 far 0 100 0 - 7.6-8.8 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 2.7-3.0 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 2.3-3.0 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 2.5-2.8 6434=100, 6419/6414=67...(10) H GLU 23 - HA ASN 26 far 0 68 0 - 5.7-6.2 H SER 97 - HA ASN 26 far 0 85 0 - 9.5-10.8 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 3.0-3.7 3.8=100 H LEU 3 - HB2 ASN 26 far 0 100 0 - 7.1-9.0 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 2.7-3.0 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 - 9.9-11.5 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 3.4-4.1 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 2.1-3.5 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 3 assignments used, quality = 1.00: * H LEU 27 + HB2 ASN 26 OK 100 100 100 100 4.3-4.6 4.7=100 H GLU 23 - HB2 ASN 26 far 0 68 0 - 7.7-8.4 H SER 97 - HB2 ASN 26 far 0 85 0 - 9.0-10.3 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 0 100 0 - 6.5-8.6 Violated in 2 structures by 0.00 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 2.3-3.0 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 3.7-4.1 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 2.8-3.5 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 4.2-4.4 6436=100, 6434/3.0=86...(8) H GLU 23 - HB3 ASN 26 far 0 68 0 - 8.0-8.6 H SER 97 - HB3 ASN 26 far 0 85 0 - 8.4-11.2 Violated in 1 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 - 6.7-7.8 H SER 97 - HA LEU 27 far 0 85 0 - 7.8-9.1 H PHE 96 - HA LEU 27 far 0 79 0 - 9.8-10.9 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 3.0-3.0 3.0=100 QB ALA 22 + HA LEU 27 OK 89 90 100 99 4.2-4.9 ~8638=41, ~8636=39...(15) HG LEU 29 - HA LEU 27 far 0 90 0 - 8.2-9.8 HG13 ILE 52 - HA LEU 27 far 0 100 0 - 8.7-10.6 HG3 LYS 53 - HA LEU 27 far 0 99 0 - 9.4-12.4 HD2 LYS 53 - HA LEU 27 far 0 100 0 - 9.9-13.2 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 2.3-2.5 3.0=100 QB ALA 25 - HA LEU 27 far 0 100 0 - 4.7-5.2 HB3 LEU 2 - HA LEU 27 far 0 99 0 - 5.4-7.3 HB3 ARG 30 - HA LEU 27 far 0 82 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1184 from cnoeabs.peaks (1.60, 4.65, 52.92 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 27 + HA LEU 27 OK 100 100 100 100 3.0-3.4 4.3=84, 2.1/1213=84...(16) HB3 GLU 28 + HA LEU 27 OK 51 68 100 76 4.2-4.7 4.0/1187=59, 8658=26...(4) HB3 LEU 29 - HA LEU 27 far 0 100 0 - 6.8-7.8 HG2 LYS 24 - HA LEU 27 far 0 98 0 - 9.8-12.0 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 7 assignments used, quality = 1.00: * QD2 LEU 27 + HA LEU 27 OK 99 100 100 99 1.9-2.4 1213=81, 1219/1187=35...(18) QD1 LEU 27 + HA LEU 27 OK 58 59 100 98 3.7-4.0 2.1/1213=59, 4.0=50...(18) QG2 ILE 93 - HA LEU 27 far 0 91 0 - 5.4-6.6 QG1 VAL 5 - HA LEU 27 far 0 100 0 - 6.7-8.5 QG1 VAL 54 - HA LEU 27 far 0 73 0 - 7.8-9.1 HG13 ILE 93 - HA LEU 27 far 0 97 0 - 8.4-11.2 QD1 ILE 52 - HA LEU 27 far 0 68 0 - 8.5-10.0 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 3.7-4.0 4.0=85, 2.1/1213=79...(20) QD2 LEU 27 + HA LEU 27 OK 59 59 100 100 1.9-2.4 4.0=85, 4.7/1187=43...(18) QG2 ILE 93 - HA LEU 27 far 0 94 0 - 5.4-6.6 QD1 ILE 93 - HA LEU 27 far 0 100 0 - 7.5-9.3 QG1 VAL 54 - HA LEU 27 far 0 100 0 - 7.8-9.1 HG13 ILE 93 - HA LEU 27 far 0 85 0 - 8.4-11.2 QD2 LEU 57 - HA LEU 27 far 0 82 0 - 9.2-11.1 QG2 ILE 52 - HA LEU 27 far 0 99 0 - 9.5-11.0 QD1 LEU 6 - HA LEU 27 far 0 100 0 - 9.6-11.4 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 2.1-2.6 6448=85, 6445/3.0=40...(11) HE ARG 30 - HA LEU 27 far 0 99 0 - 8.5-12.7 Violated in 0 structures by 0.00 A. Peak 1188 from cnoeabs.peaks (8.24, 1.46, 44.09 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.6-2.9 4.0=90, 6442/3.0=68...(16) H GLU 23 - HB2 LEU 27 far 7 68 10 - 4.6-6.0 H SER 97 - HB2 LEU 27 far 0 85 0 - 6.3-7.3 H LYS 94 - HB2 LEU 27 far 0 88 0 - 7.5-8.7 H PHE 96 - HB2 LEU 27 far 0 79 0 - 7.7-8.8 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 3.0-3.0 3.0=100 HA LEU 55 - HB2 LEU 27 far 0 94 0 - 9.7-11.0 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 86 100 100 86 3.0-3.6 8622/3.0=37, 1223/3.1=19...(14) HB3 LEU 2 - HB2 LEU 27 far 0 99 0 - 7.6-9.9 HG3 LYS 94 - HB2 LEU 27 far 0 63 0 - 8.7-10.9 QB ALA 89 - HB2 LEU 27 far 0 100 0 - 9.1-10.3 HB3 ARG 30 - HB2 LEU 27 far 0 82 0 - 9.2-11.5 HG2 LYS 94 - HB2 LEU 27 far 0 100 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 1192 from cnoeabs.peaks (1.60, 1.46, 44.09 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 29 - HB2 LEU 27 far 0 100 0 - 5.1-6.4 HB3 GLU 28 - HB2 LEU 27 far 0 68 0 - 5.4-6.3 HG2 LYS 24 - HB2 LEU 27 far 0 98 0 - 7.9-10.2 HG2 ARG 19 - HB2 LEU 27 far 0 98 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 1193 from cnoeabs.peaks (0.73, 1.46, 44.09 ppm; 3.60 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 27 + HB2 LEU 27 OK 100 100 100 100 3.2-3.2 3.1=100 QG2 ILE 93 + HB2 LEU 27 OK 79 91 100 87 3.0-4.2 10326=33, 10322/8633=31...(13) QD1 LEU 27 + HB2 LEU 27 OK 59 59 100 100 2.2-2.6 3.1=100 QG1 VAL 5 - HB2 LEU 27 far 0 100 0 - 4.8-6.4 HG13 ILE 93 - HB2 LEU 27 far 0 97 0 - 5.5-8.3 QG1 VAL 54 - HB2 LEU 27 far 0 73 0 - 7.4-8.7 QD1 ILE 52 - HB2 LEU 27 far 0 68 0 - 9.7-11.4 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 9 assignments used, quality = 1.00: * QD1 LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.2-2.6 3.1=100 QG2 ILE 93 + HB2 LEU 27 OK 81 94 100 86 3.0-4.2 10326=32, 10322/8633=30...(12) QD2 LEU 27 + HB2 LEU 27 OK 59 59 100 100 3.2-3.2 3.1=100 QD1 ILE 93 - HB2 LEU 27 far 0 100 0 - 5.1-6.8 HG13 ILE 93 - HB2 LEU 27 far 0 85 0 - 5.5-8.3 QD2 LEU 57 - HB2 LEU 27 far 0 82 0 - 7.3-9.1 QG1 VAL 54 - HB2 LEU 27 far 0 100 0 - 7.4-8.7 QD1 LEU 6 - HB2 LEU 27 far 0 100 0 - 9.4-10.9 QG2 ILE 7 - HB2 LEU 27 far 0 77 0 - 9.5-10.4 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 4 assignments used, quality = 1.00: * H GLU 28 + HB2 LEU 27 OK 100 100 100 100 3.0-4.2 4.4=82, 6450/1.8=81...(11) H LYS 20 - HB2 LEU 27 far 0 100 0 - 8.6-9.8 HE ARG 30 - HB2 LEU 27 far 0 99 0 - 9.1-12.5 H GLU 99 - HB2 LEU 27 far 0 100 0 - 9.2-11.1 Violated in 12 structures by 0.05 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 - 6.1-7.8 H SER 97 - HB3 LEU 27 far 0 85 0 - 6.5-7.5 H PHE 96 - HB3 LEU 27 far 0 79 0 - 8.0-9.1 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 2.3-2.5 3.0=100 HA LEU 55 - HB3 LEU 27 far 0 94 0 - 8.7-10.3 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 66 90 85 87 2.8-4.2 2.1/8639=23, ~8636=21...(18) HG LEU 29 - HB3 LEU 27 far 0 90 0 - 6.3-8.4 HG13 ILE 52 - HB3 LEU 27 far 0 100 0 - 8.2-9.9 HG3 LYS 53 - HB3 LEU 27 far 0 99 0 - 8.7-11.5 HD2 LYS 53 - HB3 LEU 27 far 0 100 0 - 9.4-11.8 HG2 LYS 53 - HB3 LEU 27 far 0 100 0 - 9.9-11.0 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 6 assignments used, quality = 1.00: * HG LEU 27 + HB3 LEU 27 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 28 - HB3 LEU 27 poor 15 68 35 64 4.4-5.2 4.0/6450=42, 8658/3.0=20...(4) HB3 LEU 29 - HB3 LEU 27 far 0 100 0 - 5.6-6.9 HG2 ARG 19 - HB3 LEU 27 far 0 98 0 - 9.2-12.0 HB2 ARG 30 - HB3 LEU 27 far 0 100 0 - 9.3-11.3 HG2 LYS 24 - HB3 LEU 27 far 0 98 0 - 9.6-11.9 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 10 assignments used, quality = 1.00: * QD2 LEU 27 + HB3 LEU 27 OK 100 100 100 100 2.2-2.5 3.1=100 QG2 ILE 93 + HB3 LEU 27 OK 66 91 85 85 3.7-5.2 10322/8634=31, 10320=30...(11) QD1 LEU 27 + HB3 LEU 27 OK 59 59 100 100 2.1-2.6 3.1=100 QG1 VAL 5 - HB3 LEU 27 far 0 100 0 - 4.7-6.7 HG13 ILE 93 - HB3 LEU 27 far 0 97 0 - 6.0-9.1 QG1 VAL 54 - HB3 LEU 27 far 0 73 0 - 6.4-7.6 QD1 ILE 52 - HB3 LEU 27 far 0 68 0 - 8.3-10.0 QG1 VAL 78 - HB3 LEU 27 far 0 96 0 - 9.6-12.0 QD1 ILE 56 - HB3 LEU 27 far 0 90 0 - 9.7-12.4 QG2 VAL 78 - HB3 LEU 27 far 0 99 0 - 9.9-12.0 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 2.1-2.6 3.1=100 QG2 ILE 93 + HB3 LEU 27 OK 60 94 75 85 3.7-5.2 10322/8634=32, 10320=30...(11) QD2 LEU 27 + HB3 LEU 27 OK 59 59 100 100 2.2-2.5 3.1=100 QD1 ILE 93 - HB3 LEU 27 far 0 100 0 - 5.5-7.6 HG13 ILE 93 - HB3 LEU 27 far 0 85 0 - 6.0-9.1 QG1 VAL 54 - HB3 LEU 27 far 0 100 0 - 6.4-7.6 QD2 LEU 57 - HB3 LEU 27 far 0 82 0 - 7.1-9.1 QD1 LEU 6 - HB3 LEU 27 far 0 100 0 - 8.3-9.9 QG2 ILE 52 - HB3 LEU 27 far 0 99 0 - 8.8-10.6 QG1 VAL 78 - HB3 LEU 27 far 0 88 0 - 9.6-12.0 QG2 ILE 7 - HB3 LEU 27 far 0 77 0 - 9.6-10.9 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 2.0-3.3 6450=100, 1187/3.0=77...(13) HE ARG 30 - HB3 LEU 27 far 0 99 0 - 8.3-12.0 H GLU 99 - HB3 LEU 27 far 0 100 0 - 9.1-11.0 H LYS 20 - HB3 LEU 27 far 0 100 0 - 9.8-11.5 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 2.8-3.4 6442=100, 1188/3.0=63...(17) H SER 97 - HG LEU 27 far 4 85 5 - 4.9-6.3 H GLU 23 - HG LEU 27 far 0 68 0 - 6.2-6.9 H PHE 96 - HG LEU 27 far 0 79 0 - 7.0-8.4 H LYS 94 - HG LEU 27 far 0 88 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 3.0-3.4 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 4 assignments used, quality = 1.00: * HB2 LEU 27 + HG LEU 27 OK 100 100 100 100 2.3-2.6 3.0=100 QB ALA 22 + HG LEU 27 OK 43 90 50 96 3.8-4.9 2.1/8572=35, 1222/2.1=30...(17) HG LEU 29 - HG LEU 27 far 0 90 0 - 8.6-10.3 HG3 LYS 53 - HG LEU 27 far 0 99 0 - 9.6-12.5 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 5 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 100 100 100 100 2.0-2.7 8622=90, 6408/6401=49...(17) HG3 LYS 94 - HG LEU 27 far 0 63 0 - 7.5-10.5 HB3 LEU 2 - HG LEU 27 far 0 99 0 - 7.7-9.8 HG2 LYS 94 - HG LEU 27 far 0 100 0 - 8.4-10.2 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 6 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 59 91 75 87 3.7-5.0 10326/3.0=21...(18) 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 - 6.2-8.2 HG13 ILE 93 - HG LEU 27 far 0 97 0 - 7.2-9.4 QG1 VAL 54 - HG LEU 27 far 0 73 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (0.77, 1.60, 26.52 ppm; 3.02 A): 2 out of 7 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 poor 18 94 25 76 3.7-5.0 10326/3.0=15...(17) QD1 ILE 93 - HG LEU 27 far 0 100 0 - 6.3-7.8 HG13 ILE 93 - HG LEU 27 far 0 85 0 - 7.2-9.4 QD2 LEU 57 - HG LEU 27 far 0 82 0 - 8.6-10.2 QG1 VAL 54 - HG LEU 27 far 0 100 0 - 8.7-9.9 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 2 assignments used, quality = 1.00: * H GLU 28 + HG LEU 27 OK 100 100 100 100 4.7-5.3 1219/2.1=100...(9) H GLU 99 - HG LEU 27 far 0 100 0 - 7.7-9.8 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 3.4-4.0 6442/2.1=91, 3.0/1213=76...(17) H SER 97 + QD2 LEU 27 OK 34 85 40 99 4.6-5.8 3.0/8640=72, 4.5/8647=46...(13) H PHE 96 - QD2 LEU 27 far 0 79 0 - 6.6-7.7 H GLU 23 - QD2 LEU 27 far 0 68 0 - 6.8-7.6 H LYS 94 - QD2 LEU 27 far 0 88 0 - 7.6-8.5 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 1.9-2.4 1185=63, 1187/1219=41...(19) HA LEU 55 - QD2 LEU 27 far 0 94 0 - 8.3-9.7 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 3.2-3.2 3.1=100 QB ALA 22 + QD2 LEU 27 OK 44 90 50 97 4.3-5.1 1222/2.1=36, ~8572=28...(17) HG3 LYS 53 - QD2 LEU 27 far 0 99 0 - 6.4-8.8 HD2 LYS 53 - QD2 LEU 27 far 0 100 0 - 6.7-8.8 HG13 ILE 52 - QD2 LEU 27 far 0 100 0 - 6.8-8.4 HG2 LYS 53 - QD2 LEU 27 far 0 100 0 - 7.3-8.3 HG LEU 29 - QD2 LEU 27 far 0 90 0 - 7.7-9.4 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 2.2-2.5 3.1=100 QB ALA 25 + QD2 LEU 27 OK 99 100 100 99 3.1-3.9 8622/2.1=63, 1223/2.1=35...(19) HB3 LEU 2 - QD2 LEU 27 far 0 99 0 - 4.5-6.3 HG3 LYS 94 - QD2 LEU 27 far 0 63 0 - 7.6-9.9 HG2 LYS 94 - QD2 LEU 27 far 0 100 0 - 8.5-9.7 HB3 ARG 30 - QD2 LEU 27 far 0 82 0 - 9.4-11.1 QB ALA 89 - QD2 LEU 27 far 0 100 0 - 9.7-10.7 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 8 assignments used, quality = 1.00: * HG LEU 27 + QD2 LEU 27 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 28 - QD2 LEU 27 far 0 68 0 - 4.8-5.6 HB3 LEU 29 - QD2 LEU 27 far 0 100 0 - 7.1-8.0 HG2 LYS 24 - QD2 LEU 27 far 0 98 0 - 8.2-10.3 HB2 ARG 79 - QD2 LEU 27 far 0 100 0 - 9.2-11.2 HD3 LYS 94 - QD2 LEU 27 far 0 100 0 - 9.4-11.4 HB2 ARG 30 - QD2 LEU 27 far 0 100 0 - 9.8-11.7 HG2 ARG 19 - QD2 LEU 27 far 0 98 0 - 10.0-12.3 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 3 assignments used, quality = 1.00: * H GLU 28 + QD2 LEU 27 OK 100 100 100 100 3.1-3.7 1187/1213=73, 4.7=71...(12) H GLU 99 - QD2 LEU 27 far 0 100 0 - 6.3-7.9 HE ARG 30 - QD2 LEU 27 far 0 99 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (8.24, 0.77, 26.59 ppm; 3.88 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 27 + QD1 LEU 27 OK 100 100 100 100 3.8-4.4 6442/2.1=83, 6444=63...(21) H SER 97 + QD1 LEU 27 OK 84 85 100 99 3.0-3.7 10064=41, 4.5/8645=40...(18) H PHE 96 + QD1 LEU 27 OK 20 79 30 85 4.5-5.4 4.5/8645=40, 10043=23...(10) H LYS 94 - QD1 LEU 27 far 0 88 0 - 5.2-5.9 H GLU 23 - QD1 LEU 27 far 0 68 0 - 5.6-6.9 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 3.7-4.0 4.0=100 HA LEU 55 - QD1 LEU 27 far 0 94 0 - 6.8-8.3 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 10 assignments used, quality = 1.00: * HB2 LEU 27 + QD1 LEU 27 OK 100 100 100 100 2.2-2.6 3.1=100 QB ALA 22 + QD1 LEU 27 OK 86 90 100 97 3.0-4.1 2.1/8641=32, 8579=25...(23) HG LEU 29 - QD1 LEU 27 far 0 90 0 - 6.3-7.9 HG3 LYS 53 - QD1 LEU 27 far 0 99 0 - 6.5-9.1 HD2 LYS 53 - QD1 LEU 27 far 0 100 0 - 7.0-9.3 HG2 LYS 53 - QD1 LEU 27 far 0 100 0 - 7.7-9.0 HG13 ILE 52 - QD1 LEU 27 far 0 100 0 - 8.0-9.5 HG2 LYS 20 - QD1 LEU 27 far 0 100 0 - 9.0-11.5 HB2 ARG 91 - QD1 LEU 27 far 0 79 0 - 9.5-11.0 HG3 ARG 91 - QD1 LEU 27 far 0 100 0 - 9.5-11.5 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 2.1-2.6 3.1=100 QB ALA 25 + QD1 LEU 27 OK 98 100 100 98 1.9-2.7 8622/2.1=56, 8621=35...(23) HG3 LYS 94 - QD1 LEU 27 far 0 63 0 - 5.8-7.8 HB3 LEU 2 - QD1 LEU 27 far 0 99 0 - 6.5-8.5 HG2 LYS 94 - QD1 LEU 27 far 0 100 0 - 6.7-7.8 QB ALA 89 - QD1 LEU 27 far 0 100 0 - 7.6-8.7 HB3 ARG 30 - QD1 LEU 27 far 0 82 0 - 8.9-10.9 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 11 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 far 0 100 0 - 5.8-7.3 HB3 GLU 28 - QD1 LEU 27 far 0 68 0 - 5.8-6.5 HG2 LYS 24 - QD1 LEU 27 far 0 98 0 - 7.0-9.4 HD3 LYS 94 - QD1 LEU 27 far 0 100 0 - 7.4-9.0 HB2 ARG 79 - QD1 LEU 27 far 0 100 0 - 7.9-10.4 HD2 LYS 94 - QD1 LEU 27 far 0 84 0 - 8.1-9.3 HG2 ARG 19 - QD1 LEU 27 far 0 98 0 - 9.0-11.1 HG3 LYS 90 - QD1 LEU 27 far 0 97 0 - 9.1-11.4 HB2 ARG 30 - QD1 LEU 27 far 0 100 0 - 9.6-11.1 HG LEU 103 - QD1 LEU 27 far 0 96 0 - 10.0-17.1 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 3.9-4.9 4.7=93, 1219/2.1=83...(11) H GLU 99 - QD1 LEU 27 far 5 100 5 - 5.2-6.9 H LYS 20 - QD1 LEU 27 far 0 100 0 - 8.8-10.0 HE ARG 30 - QD1 LEU 27 far 0 99 0 - 9.1-12.0 Violated in 12 structures by 0.18 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 2.8-2.9 3.0=100 HE ARG 30 - HA GLU 28 far 0 99 0 - 4.8-8.8 H LYS 20 - HA GLU 28 far 0 100 0 - 8.7-10.8 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 2.4-2.9 3.0=100 HG3 ARG 19 - HA GLU 28 far 0 94 0 - 8.7-10.7 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 2.8-3.0 3.0=100 HB3 LEU 29 - HA GLU 28 far 0 71 0 - 4.2-4.7 HG3 ARG 30 - HA GLU 28 far 0 71 0 - 5.1-8.6 HG LEU 27 - HA GLU 28 far 0 68 0 - 6.4-7.0 HB2 LEU 3 - HA GLU 28 far 0 99 0 - 6.9-8.6 HG2 ARG 19 - HA GLU 28 far 0 90 0 - 7.1-10.4 HG LEU 6 - HA GLU 28 far 0 61 0 - 8.3-9.9 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: HG3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 * HG2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.1-3.8 3.7=100 HB2 GLU 23 - HA GLU 28 far 0 88 0 - 7.3-8.9 HG12 ILE 93 - HA GLU 28 far 0 84 0 - 7.6-10.3 QE MET 21 - HA GLU 28 far 0 68 0 - 8.6-10.2 HB2 MET 21 - HA GLU 28 far 0 98 0 - 9.0-11.9 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: * HG3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 HG2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.1-3.8 3.7=100 HB2 GLU 23 - HA GLU 28 far 0 88 0 - 7.3-8.9 HG12 ILE 93 - HA GLU 28 far 0 84 0 - 7.6-10.3 QE MET 21 - HA GLU 28 far 0 68 0 - 8.6-10.2 HB2 MET 21 - HA GLU 28 far 0 98 0 - 9.0-11.9 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 2 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...(11) H ILE 7 - HA GLU 28 far 0 100 0 - 9.6-10.6 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 2.8-3.7 6455=94, 1242/1.8=75...(9) HE ARG 30 - HB2 GLU 28 far 10 99 10 - 2.7-8.1 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 2.4-2.9 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 - 4.2-8.7 HB3 LEU 29 - HB2 GLU 28 far 0 71 0 - 5.7-6.8 HG LEU 6 - HB2 GLU 28 far 0 61 0 - 6.7-10.2 HB2 LEU 3 - HB2 GLU 28 far 0 99 0 - 6.8-8.2 HG LEU 27 - HB2 GLU 28 far 0 68 0 - 7.3-8.5 HG2 ARG 19 - HB2 GLU 28 far 0 90 0 - 8.9-12.1 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 5 assignments used, quality = 1.00: * HG2 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 48 - HB2 GLU 28 far 0 96 0 - 8.7-12.3 HG12 ILE 93 - HB2 GLU 28 far 0 84 0 - 8.8-12.1 HB2 GLU 23 - HB2 GLU 28 far 0 88 0 - 9.0-11.6 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 5 assignments used, quality = 1.00: HG2 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 48 - HB2 GLU 28 far 0 96 0 - 8.7-12.3 HG12 ILE 93 - HB2 GLU 28 far 0 84 0 - 8.8-12.1 HB2 GLU 23 - HB2 GLU 28 far 0 88 0 - 9.0-11.6 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 3.2-4.2 4.6=100 H LYS 53 - HB2 GLU 28 far 0 96 0 - 8.6-10.2 H ILE 7 - HB2 GLU 28 far 0 100 0 - 9.2-11.8 H VAL 54 - HB2 GLU 28 far 0 59 0 - 10.0-12.2 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 2.1-2.6 6456=86, 1235/1.8=73...(11) HE ARG 30 - HB3 GLU 28 far 5 99 5 - 4.2-9.7 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 2.8-3.0 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 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 100 100 1.8-1.8 1.8=100 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 4 assignments used, quality = 1.00: HG3 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 48 - HB3 GLU 28 far 0 96 0 - 8.1-11.3 HG12 ILE 93 - HB3 GLU 28 far 0 84 0 - 8.8-11.2 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 4 assignments used, quality = 1.00: * HG3 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 48 - HB3 GLU 28 far 0 96 0 - 8.1-11.3 HG12 ILE 93 - HB3 GLU 28 far 0 84 0 - 8.8-11.2 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 4 assignments used, quality = 1.00: * H LEU 29 + HB3 GLU 28 OK 100 100 100 100 4.0-4.7 4.6=100 H LYS 53 - HB3 GLU 28 far 0 96 0 - 7.5-8.6 H VAL 54 - HB3 GLU 28 far 0 59 0 - 9.2-10.6 H ILE 7 - HB3 GLU 28 far 0 100 0 - 9.7-11.6 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 + HG3 GLU 28 OK 99 100 100 99 3.2-4.6 1242/3.0=70, 1235/3.0=69...(8) * H GLU 28 + HG2 GLU 28 OK 99 100 100 99 3.5-4.8 1242/3.0=70, 1235/3.0=69...(8) HE ARG 30 - HG3 GLU 28 poor 20 99 20 - 3.1-9.1 HE ARG 30 - HG2 GLU 28 poor 5 99 25 21 4.0-8.3 4.0/10511=17...(3) H LYS 20 - HG3 GLU 28 far 0 100 0 - 9.9-14.0 H TYR 41 - HG3 GLU 28 far 0 85 0 - 10.0-14.1 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 + HG3 GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 * HA GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.1-3.8 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 + HG2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 19 - HG3 GLU 28 far 0 94 0 - 9.0-13.6 HG3 ARG 19 - HG2 GLU 28 far 0 94 0 - 9.7-13.4 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 + HG3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 30 - HG2 GLU 28 far 11 71 15 - 3.2-8.3 HG3 ARG 30 - HG3 GLU 28 far 11 71 15 - 3.5-8.7 HB3 LEU 29 - HG3 GLU 28 far 0 71 0 - 4.9-7.9 HB3 LEU 29 - HG2 GLU 28 far 0 71 0 - 5.2-7.8 HG LEU 6 - HG2 GLU 28 far 0 61 0 - 6.0-11.2 HB2 LEU 3 - HG3 GLU 28 far 0 99 0 - 6.3-9.6 HG LEU 6 - HG3 GLU 28 far 0 61 0 - 6.8-10.8 HG LEU 27 - HG3 GLU 28 far 0 68 0 - 7.1-9.3 HG LEU 27 - HG2 GLU 28 far 0 68 0 - 7.2-9.8 HB2 LEU 3 - HG2 GLU 28 far 0 99 0 - 7.4-9.4 HG2 ARG 19 - HG3 GLU 28 far 0 90 0 - 7.4-12.2 HG2 ARG 19 - HG2 GLU 28 far 0 90 0 - 8.0-13.2 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 6 assignments used, quality = 1.00: H LEU 29 + HG3 GLU 28 OK 100 100 100 100 2.3-5.6 5.0=93, 6462/3.7=87...(8) * H LEU 29 + HG2 GLU 28 OK 100 100 100 100 2.9-5.5 5.0=93, 6462/3.7=87...(8) H LYS 53 - HG3 GLU 28 far 0 96 0 - 8.4-11.5 H ILE 7 - HG2 GLU 28 far 0 100 0 - 8.5-12.5 H ILE 7 - HG3 GLU 28 far 0 100 0 - 8.6-12.8 H LYS 53 - HG2 GLU 28 far 0 96 0 - 9.5-10.9 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 + HG3 GLU 28 OK 99 100 100 99 3.2-4.6 1242/3.0=70, 1235/3.0=69...(8) H GLU 28 + HG2 GLU 28 OK 99 100 100 99 3.5-4.8 1242/3.0=70, 1235/3.0=69...(8) HE ARG 30 - HG3 GLU 28 poor 20 99 20 - 3.1-9.1 HE ARG 30 - HG2 GLU 28 poor 5 99 25 21 4.0-8.3 4.0/10511=17...(3) H LYS 20 - HG3 GLU 28 far 0 100 0 - 9.9-14.0 H TYR 41 - HG3 GLU 28 far 0 85 0 - 10.0-14.1 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 + HG3 GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 HA GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.1-3.8 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 + HG2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 19 - HG3 GLU 28 far 0 94 0 - 9.0-13.6 HG3 ARG 19 - HG2 GLU 28 far 0 94 0 - 9.7-13.4 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 + HG3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 30 - HG2 GLU 28 far 11 71 15 - 3.2-8.3 HG3 ARG 30 - HG3 GLU 28 far 11 71 15 - 3.5-8.7 HB3 LEU 29 - HG3 GLU 28 far 0 71 0 - 4.9-7.9 HB3 LEU 29 - HG2 GLU 28 far 0 71 0 - 5.2-7.8 HG LEU 6 - HG2 GLU 28 far 0 61 0 - 6.0-11.2 HB2 LEU 3 - HG3 GLU 28 far 0 99 0 - 6.3-9.6 HG LEU 6 - HG3 GLU 28 far 0 61 0 - 6.8-10.8 HG LEU 27 - HG3 GLU 28 far 0 68 0 - 7.1-9.3 HG LEU 27 - HG2 GLU 28 far 0 68 0 - 7.2-9.8 HB2 LEU 3 - HG2 GLU 28 far 0 99 0 - 7.4-9.4 HG2 ARG 19 - HG3 GLU 28 far 0 90 0 - 7.4-12.2 HG2 ARG 19 - HG2 GLU 28 far 0 90 0 - 8.0-13.2 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 6 assignments used, quality = 1.00: * H LEU 29 + HG3 GLU 28 OK 100 100 100 100 2.3-5.6 5.0=93, 6462/3.7=87...(8) H LEU 29 + HG2 GLU 28 OK 100 100 100 100 2.9-5.5 5.0=93, 6462/3.7=87...(8) H LYS 53 - HG3 GLU 28 far 0 96 0 - 8.4-11.5 H ILE 7 - HG2 GLU 28 far 0 100 0 - 8.5-12.5 H ILE 7 - HG3 GLU 28 far 0 100 0 - 8.6-12.8 H LYS 53 - HG2 GLU 28 far 0 96 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 1263 from cnoeabs.peaks (8.45, 5.66, 53.19 ppm; 4.35 A): 1 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 far 0 100 0 - 5.3-6.4 H VAL 32 - HA LEU 29 far 0 79 0 - 8.5-9.2 H VAL 54 - HA LEU 29 far 0 59 0 - 9.5-10.2 H LYS 53 - HA LEU 29 far 0 96 0 - 9.6-10.6 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 2.3-2.5 2.9=100 HB2 LEU 6 - HA LEU 29 far 0 92 0 - 6.2-7.0 QG2 THR 31 - HA LEU 29 far 0 93 0 - 6.2-6.8 HB3 LEU 3 - HA LEU 29 far 0 99 0 - 7.4-8.5 HB2 LEU 57 - HA LEU 29 far 0 65 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (1.60, 5.66, 53.19 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 GLU 28 - HA LEU 29 far 11 71 15 - 4.8-5.7 HB2 ARG 30 - HA LEU 29 far 5 100 5 - 4.2-5.7 HG2 ARG 19 - HA LEU 29 far 0 99 0 - 5.3-8.9 HG LEU 27 - HA LEU 29 far 0 100 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (1.44, 5.66, 53.19 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 2.4-2.8 3.6=100 QB ALA 22 + HA LEU 29 OK 99 100 100 99 3.7-4.3 8577/2.9=56, 8586/2.9=41...(15) HB2 LEU 27 - HA LEU 29 far 0 90 0 - 5.3-6.3 HG12 ILE 7 - HA LEU 29 far 0 99 0 - 8.3-9.3 HG13 ILE 52 - HA LEU 29 far 0 90 0 - 9.6-11.2 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 4 assignments used, quality = 1.00: * QD2 LEU 29 + HA LEU 29 OK 100 100 100 100 3.2-3.7 1296=87, 2.1/1304=65...(17) QD1 LEU 29 + HA LEU 29 OK 98 99 100 100 3.4-3.6 1304=85, 2.1/1296=65...(21) QG2 VAL 54 - HA LEU 29 far 0 98 0 - 6.3-7.7 QD1 ILE 7 - HA LEU 29 far 0 90 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 1269 from cnoeabs.peaks (0.65, 5.66, 53.19 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 100 100 3.4-3.6 1304=87, 2.1/1296=65...(21) QD2 LEU 29 + HA LEU 29 OK 98 99 100 100 3.2-3.7 1296=86, 2.1/1304=65...(17) QD2 LEU 6 - HA LEU 29 poor 14 71 35 54 3.6-5.5 10232/6476=28...(3) QG2 VAL 54 - HA LEU 29 far 0 100 0 - 6.3-7.7 QD1 ILE 7 - HA LEU 29 far 0 71 0 - 7.0-7.9 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 2.1-2.3 6476=100, 6479/3.6=43...(14) 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 2.7-3.4 4.0=100 H ILE 7 - HB2 LEU 29 far 0 100 0 - 6.2-7.2 H VAL 32 - HB2 LEU 29 far 0 79 0 - 9.5-10.1 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 2.3-2.5 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): 1 out of 5 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 far 5 99 5 - 4.2-7.5 HB3 GLU 28 - HB2 LEU 29 far 0 71 0 - 6.0-6.8 HB2 ARG 30 - HB2 LEU 29 far 0 100 0 - 6.3-7.6 HG LEU 27 - HB2 LEU 29 far 0 100 0 - 6.4-7.7 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 2.6-2.7 3.0=100 QB ALA 22 + HB2 LEU 29 OK 100 100 100 100 1.9-2.8 8577=80, 8581/1.8=41...(23) HB2 LEU 27 + HB2 LEU 29 OK 29 90 60 55 4.0-5.3 10482=17, 8633/10498=17...(7) HG12 ILE 7 - HB2 LEU 29 far 0 99 0 - 8.2-9.2 HG2 LYS 20 - HB2 LEU 29 far 0 90 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 1276 from cnoeabs.peaks (0.64, 1.16, 44.91 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.1-3.1 3.1=100 QD1 LEU 29 + HB2 LEU 29 OK 99 99 100 100 1.9-2.2 3.1=100 QD1 ILE 7 - HB2 LEU 29 far 0 90 0 - 6.3-7.2 QG2 VAL 54 - HB2 LEU 29 far 0 98 0 - 7.8-9.3 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 5 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.9-2.2 3.1=100 QD2 LEU 29 + HB2 LEU 29 OK 99 99 100 100 3.1-3.1 3.1=100 QD2 LEU 6 - HB2 LEU 29 far 0 71 0 - 5.2-7.2 QD1 ILE 7 - HB2 LEU 29 far 0 71 0 - 6.3-7.2 QG2 VAL 54 - HB2 LEU 29 far 0 100 0 - 7.8-9.3 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 3.8-4.2 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 2.3-2.7 4.0=100 H ILE 7 - HB3 LEU 29 far 0 100 0 - 6.3-7.5 H VAL 32 - HB3 LEU 29 far 0 79 0 - 9.3-9.9 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 3.0-3.0 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 4 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 - 5.5-6.4 HB2 LEU 6 - HB3 LEU 29 far 0 92 0 - 8.2-9.5 HB3 LEU 3 - HB3 LEU 29 far 0 99 0 - 9.1-10.1 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): 2 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.9-3.0 3.0=100 QB ALA 22 + HB3 LEU 29 OK 100 100 100 100 2.1-3.3 8577/1.8=71, 8581=55...(23) HB2 LEU 27 - HB3 LEU 29 far 0 90 0 - 5.1-6.4 HG2 LYS 20 - HB3 LEU 29 far 0 90 0 - 7.3-9.6 HG12 ILE 7 - HB3 LEU 29 far 0 99 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 1284 from cnoeabs.peaks (0.64, 1.60, 44.91 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.0-2.2 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 99 99 100 100 2.6-2.8 3.1=100 QD1 ILE 7 - HB3 LEU 29 far 0 90 0 - 6.6-7.5 QG2 VAL 54 - HB3 LEU 29 far 0 98 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 1285 from cnoeabs.peaks (0.65, 1.60, 44.91 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.6-2.8 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 99 99 100 100 2.0-2.2 3.1=100 QD2 LEU 6 - HB3 LEU 29 far 0 71 0 - 5.8-7.3 QD1 ILE 7 - HB3 LEU 29 far 0 71 0 - 6.6-7.5 QG2 VAL 54 - HB3 LEU 29 far 0 100 0 - 8.8-10.2 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 3.8-4.4 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 4.5-4.6 6469/3.0=83, 6468/3.0=78...(14) H ILE 7 + HG LEU 29 OK 96 100 100 96 3.6-4.7 8238/6479=61, 6081=45...(8) H LYS 53 + HG13 ILE 52 OK 60 60 100 100 2.5-3.3 6871/1.8=73, 6868/3.8=71...(14) H ALA 67 + HG LEU 38 OK 22 51 55 79 4.2-8.8 ~9526=22, ~1659=20...(15) H VAL 54 - HG13 ILE 52 poor 15 33 45 - 4.5-6.8 H VAL 32 - HG LEU 38 far 0 51 0 - 6.5-9.1 H VAL 32 - HG LEU 29 far 0 79 0 - 6.8-7.8 H ILE 7 - HG LEU 38 far 0 72 0 - 7.4-9.9 H VAL 54 - HG13 ILE 76 far 0 44 0 - 8.2-9.5 H THR 80 - HG LEU 38 far 0 42 0 - 8.9-13.6 H LYS 53 - HG13 ILE 76 far 0 77 0 - 9.3-11.1 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 2.4-2.8 3.6=100 HA LEU 29 - HG13 ILE 52 far 0 68 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (1.16, 1.44, 27.00 ppm; 3.68 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.6-2.7 3.0=100 QG2 THR 31 - HG LEU 29 poor 19 93 20 - 4.3-5.1 HB2 LEU 6 - HG LEU 38 far 0 62 0 - 4.8-8.1 HB2 LEU 6 - HG LEU 29 far 0 92 0 - 5.4-6.9 HB3 LEU 3 - HG13 ILE 52 far 0 65 0 - 5.8-7.5 QG2 THR 34 - HG LEU 38 far 0 67 0 - 6.3-8.9 HB2 LEU 57 - HG LEU 29 far 0 65 0 - 7.8-8.8 HB2 LEU 57 - HG3 ARG 91 far 0 43 0 - 8.3-12.2 HG2 LYS 40 - HG LEU 38 far 0 73 0 - 8.4-11.2 QG2 THR 31 - HG LEU 38 far 0 63 0 - 8.4-10.8 HB3 LEU 3 - HG LEU 29 far 0 99 0 - 9.4-10.6 HB2 LEU 6 - HG13 ILE 52 far 0 57 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1290 from cnoeabs.peaks (1.60, 1.44, 27.00 ppm; 3.52 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 ARG 19 - HG LEU 29 far 5 99 5 - 4.4-7.2 HD3 LYS 94 - HG3 ARG 91 far 4 76 5 - 4.2-7.6 HG3 LYS 90 - HG3 ARG 91 far 4 72 5 - 3.9-9.4 HD2 LYS 94 - HG3 ARG 91 far 0 54 0 - 4.5-7.9 HB2 ARG 30 - HG LEU 29 far 0 100 0 - 4.7-6.2 HG3 LYS 47 - HG13 ILE 52 far 0 50 0 - 6.3-10.7 HG3 LYS 73 - HG13 ILE 76 far 0 85 0 - 6.3-11.2 HB3 GLU 28 - HG13 ILE 52 far 0 41 0 - 6.9-8.4 HD2 LYS 66 - HG LEU 38 far 0 73 0 - 7.2-10.0 HB3 GLU 28 - HG LEU 29 far 0 71 0 - 7.4-8.2 HG3 LYS 47 - HG13 ILE 76 far 0 65 0 - 7.8-10.6 HB2 ARG 30 - HG LEU 38 far 0 72 0 - 7.9-10.5 HG3 LYS 73 - HG LEU 38 far 0 73 0 - 8.1-13.3 HG LEU 27 - HG LEU 29 far 0 100 0 - 8.6-10.3 HB2 ARG 79 - HG13 ILE 52 far 0 67 0 - 9.9-12.8 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): 3 out of 13 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 QG2 VAL 54 + HG13 ILE 52 OK 41 63 90 72 2.8-4.6 9240/1.8=37, 10208=35...(11) QD1 ILE 7 - HG LEU 29 far 0 90 0 - 4.9-5.7 QG2 VAL 54 - HG13 ILE 76 far 0 81 0 - 5.8-7.1 QG2 VAL 58 - HG LEU 38 far 0 45 0 - 6.8-9.9 QG2 VAL 54 - HG LEU 29 far 0 98 0 - 7.8-9.1 QD1 LEU 14 - HG3 ARG 91 far 0 44 0 - 7.9-11.6 QG2 VAL 54 - HG LEU 38 far 0 69 0 - 8.0-10.1 QD1 ILE 7 - HG3 ARG 91 far 0 62 0 - 8.4-11.5 QD1 LEU 29 - HG3 ARG 91 far 0 73 0 - 8.9-12.0 QD1 LEU 14 - HG LEU 29 far 0 68 0 - 9.2-10.6 QD1 ILE 7 - HG LEU 38 far 0 60 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 1293 from cnoeabs.peaks (0.65, 1.44, 27.00 ppm; 3.08 A): 3 out of 19 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 QG2 VAL 54 + HG13 ILE 52 OK 44 67 90 73 2.8-4.6 9240/1.8=38, 10208=36...(11) QD1 LEU 42 - HG LEU 38 poor 15 42 50 71 3.8-5.3 ~12068=26, ~8921=16...(14) QD2 LEU 6 - HG LEU 29 far 4 71 5 - 3.9-5.5 QD2 LEU 6 - HG LEU 38 far 0 45 0 - 4.4-7.5 QD1 LEU 42 - HG13 ILE 76 far 0 51 0 - 4.8-6.8 QD1 ILE 7 - HG LEU 29 far 0 71 0 - 4.9-5.7 QG2 VAL 54 - HG13 ILE 76 far 0 85 0 - 5.8-7.1 QG2 VAL 58 - HG LEU 38 far 0 60 0 - 6.8-9.9 QD2 LEU 6 - HG13 ILE 52 far 0 41 0 - 7.8-10.0 QG2 VAL 54 - HG LEU 29 far 0 100 0 - 7.8-9.1 QD1 LEU 14 - HG3 ARG 91 far 0 60 0 - 7.9-11.6 QG2 VAL 54 - HG LEU 38 far 0 73 0 - 8.0-10.1 QD1 LEU 42 - HG13 ILE 52 far 0 38 0 - 8.1-10.6 QD1 ILE 7 - HG3 ARG 91 far 0 47 0 - 8.4-11.5 QD1 LEU 29 - HG3 ARG 91 far 0 76 0 - 8.9-12.0 QD1 LEU 14 - HG LEU 29 far 0 87 0 - 9.2-10.6 QD1 ILE 7 - HG LEU 38 far 0 45 0 - 9.8-12.1 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 3 assignments used, quality = 1.00: * H ARG 30 + HG LEU 29 OK 100 100 100 100 2.0-2.9 6479=100, 1302/2.1=74...(14) H VAL 83 - HG3 ARG 91 far 0 67 0 - 9.7-12.3 H ARG 30 - HG LEU 38 far 0 73 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (8.45, 0.64, 24.70 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 100 100 100 100 3.6-4.1 6469/3.1=66, 6468/3.1=61...(16) H ILE 7 + QD2 LEU 29 OK 86 100 90 96 2.9-5.0 8238/1302=41...(11) H VAL 32 - QD2 LEU 29 far 0 79 0 - 5.5-6.4 Violated in 0 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 3.2-3.7 4.1=92, 1304/2.1=71...(17) Violated in 0 structures by 0.00 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 3.1-3.1 3.1=100 QG2 THR 31 + QD2 LEU 29 OK 88 93 100 95 2.8-3.4 8731=69, 6501/12050=32...(15) HB2 LEU 6 - QD2 LEU 29 far 0 92 0 - 6.0-7.4 HB2 LEU 57 - QD2 LEU 29 far 0 65 0 - 6.7-8.7 HB3 LEU 3 - QD2 LEU 29 far 0 99 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (1.60, 0.64, 24.70 ppm; 3.12 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-2.2 3.1=98, 2.9/1296=37...(16) HG2 ARG 19 + QD2 LEU 29 OK 82 99 85 98 1.9-4.3 1.8/8673=52, 4.0/8685=30...(22) HB2 ARG 30 - QD2 LEU 29 far 0 100 0 - 4.6-5.3 HB3 GLU 28 - QD2 LEU 29 far 0 71 0 - 6.9-7.5 HG3 LYS 12 - QD2 LEU 29 far 0 100 0 - 8.0-10.7 HG LEU 27 - QD2 LEU 29 far 0 100 0 - 8.2-9.2 HG3 LYS 90 - QD2 LEU 29 far 0 98 0 - 8.5-10.3 HG2 LYS 24 - QD2 LEU 29 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (1.44, 0.64, 24.70 ppm; 2.95 A): 2 out of 7 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 82 100 85 96 3.0-4.1 8580=36, 8577/3.1=32...(21) HG12 ILE 7 - QD2 LEU 29 far 0 99 0 - 5.1-6.7 HG2 LYS 20 - QD2 LEU 29 far 0 90 0 - 5.7-7.8 HB2 LEU 27 - QD2 LEU 29 far 0 90 0 - 6.3-7.2 HG2 LYS 12 - QD2 LEU 29 far 0 99 0 - 8.0-9.6 HB2 LEU 38 - QD2 LEU 29 far 0 92 0 - 9.7-12.2 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 1 assignment used, quality = 1.00: * H ARG 30 + QD2 LEU 29 OK 100 100 100 100 2.5-3.6 6479/2.1=84, 4.6=68...(18) Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (8.45, 0.65, 26.64 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 4.3-4.7 4.8=85, 6469/3.1=82...(16) H ILE 7 + QD1 LEU 29 OK 96 100 100 96 4.2-5.1 8238/1310=51...(8) H VAL 32 - QD1 LEU 29 far 0 79 0 - 6.7-7.6 H VAL 54 - QD1 LEU 29 far 0 59 0 - 9.7-10.6 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 3.4-3.6 4.1=93, 1296/2.1=71...(21) Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (1.16, 0.65, 26.64 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-2.2 3.1=100 QG2 THR 31 - QD1 LEU 29 far 5 93 5 - 4.3-5.0 HB2 LEU 6 - QD1 LEU 29 far 0 92 0 - 5.7-7.1 HB2 LEU 57 - QD1 LEU 29 far 0 65 0 - 5.7-6.7 HB3 LEU 3 - QD1 LEU 29 far 0 99 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 1306 from cnoeabs.peaks (1.60, 0.65, 26.64 ppm; 3.59 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.6-2.8 3.1=100 HG2 ARG 19 + QD1 LEU 29 OK 64 99 65 99 2.9-5.4 1.8/10499=43, ~8673=42...(25) HB2 ARG 30 - QD1 LEU 29 far 0 100 0 - 6.0-7.0 HG LEU 27 - QD1 LEU 29 far 0 100 0 - 6.6-7.9 HB3 GLU 28 - QD1 LEU 29 far 0 71 0 - 7.1-7.8 HG3 LYS 90 - QD1 LEU 29 far 0 98 0 - 7.1-8.4 HG2 LYS 24 - QD1 LEU 29 far 0 99 0 - 8.6-10.3 HD3 LYS 94 - QD1 LEU 29 far 0 100 0 - 9.1-10.6 HB2 ARG 79 - QD1 LEU 29 far 0 100 0 - 9.4-11.9 HG3 LYS 12 - QD1 LEU 29 far 0 100 0 - 9.5-11.9 HD2 LYS 94 - QD1 LEU 29 far 0 81 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1307 from cnoeabs.peaks (1.44, 0.65, 26.64 ppm; 2.93 A): 2 out of 7 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 97 100 100 97 1.9-3.5 8580=33, 8577/3.1=32...(25) HB2 LEU 27 - QD1 LEU 29 far 0 90 0 - 4.8-6.0 HG12 ILE 7 - QD1 LEU 29 far 0 99 0 - 4.8-5.7 HG2 LYS 20 - QD1 LEU 29 far 0 90 0 - 5.6-7.9 HG3 ARG 91 - QD1 LEU 29 far 0 95 0 - 8.9-12.0 HG2 LYS 12 - QD1 LEU 29 far 0 99 0 - 9.5-10.7 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 3.7-4.4 6479/2.1=91, 4.6=84...(14) H VAL 83 - QD1 LEU 29 far 0 94 0 - 9.4-10.5 Violated in 3 structures by 0.01 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 2.6-3.0 3.0=100 HB3 LEU 29 + HA ARG 30 OK 100 100 100 100 4.5-5.0 ~6476=80, ~1270=76...(11) HG2 ARG 19 + HA ARG 30 OK 22 94 70 33 4.8-8.8 1298/8683=25, 2940/3.6=9 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 - 8.6-9.5 HG3 LYS 40 - HA ARG 30 far 0 98 0 - 8.9-13.1 HB3 LEU 27 - HA ARG 30 far 0 82 0 - 9.1-10.2 QB ALA 89 - HA ARG 30 far 0 73 0 - 9.7-10.5 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 2.1-3.7 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): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.3-3.6 3.9=100 HG LEU 6 + HA ARG 30 OK 24 100 25 98 5.5-7.3 ~8717=53, ~10232=47...(11) HB ILE 7 - HA ARG 30 far 0 99 0 - 6.7-7.0 HB3 GLU 28 - HA ARG 30 far 0 71 0 - 7.3-8.4 HG3 LYS 33 - HA ARG 30 far 0 84 0 - 8.8-9.5 HG2 LYS 33 - HA ARG 30 far 0 94 0 - 9.2-10.0 HG12 ILE 56 - HA ARG 30 far 0 100 0 - 9.3-13.0 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 2.3-4.0 1357=82, 1.8/1366=75...(9) HB3 TYR 41 - HA ARG 30 far 0 68 0 - 6.9-8.5 Violated in 2 structures by 0.01 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 2.0-3.9 1366=100, 1.8/1317=78...(10) Violated in 0 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 = 0.98: * H THR 31 + HA ARG 30 OK 98 100 100 98 2.3-2.5 3.6=70, 6493/3.0=42...(14) H ILE 7 - HA ARG 30 far 0 61 0 - 5.1-5.6 H VAL 32 - HA ARG 30 far 0 96 0 - 6.3-6.5 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 2.7-3.8 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 2.6-3.0 3.0=100 HA THR 31 + HB2 ARG 30 OK 84 90 95 99 4.2-5.0 3.0/6493=68, ~6494=40...(20) HA ILE 56 - HB2 ARG 30 far 0 75 0 - 7.9-9.2 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 5 assignments used, quality = 1.00: * HB3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 40 - HB2 ARG 30 far 0 98 0 - 6.5-10.6 HG12 ILE 8 - HB2 ARG 30 far 0 99 0 - 7.4-8.6 QB ALA 67 - HB2 ARG 30 far 0 70 0 - 9.3-10.7 HB3 LEU 27 - HB2 ARG 30 far 0 82 0 - 9.3-11.3 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 1 assignment used, quality = 1.00: * HG2 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (1.53, 1.60, 32.55 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.2-3.0 2.9=100 HG LEU 6 + HB2 ARG 30 OK 63 100 65 97 3.7-6.2 2.1/8717=65, 3.7/8696=27...(16) HB ILE 7 - HB2 ARG 30 far 0 99 0 - 7.1-7.8 HB3 GLU 28 - HB2 ARG 30 far 0 71 0 - 7.4-9.0 HG3 LYS 33 - HB2 ARG 30 far 0 84 0 - 8.0-9.8 HG12 ILE 56 - HB2 ARG 30 far 0 100 0 - 8.0-11.5 HG2 LYS 33 - HB2 ARG 30 far 0 94 0 - 8.1-10.0 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 2.0-3.6 3.6=100 HB3 TYR 41 + HB2 ARG 30 OK 54 68 85 95 4.4-5.9 4.4/8906=39...(12) 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 2.2-4.2 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): 2 out of 3 assignments used, quality = 1.00: * H THR 31 + HB2 ARG 30 OK 100 100 100 100 2.3-3.7 6493=100, 6494/1.8=82...(14) H ILE 7 + HB2 ARG 30 OK 28 61 55 83 4.9-5.6 3.6/8696=36...(8) H VAL 32 - HB2 ARG 30 far 0 96 0 - 5.4-6.7 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 2.4-3.8 4.0=100 H VAL 83 + HB2 LYS 82 OK 54 54 100 100 4.0-4.3 4.6=88, 7343/3.0=80...(14) 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 45 90 50 99 4.4-5.6 3.0/6494=65, ~6493=47...(20) HA ILE 56 - HB3 ARG 30 far 0 75 0 - 7.4-9.1 HA ILE 56 - HB2 LYS 82 far 0 40 0 - 8.6-10.1 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 6 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 2.5-3.6 3.5=80, ~3668=24...(20) HB3 LEU 29 - HB3 ARG 30 far 0 100 0 - 6.0-7.0 HG2 LYS 68 - HB2 LYS 82 far 0 30 0 - 7.0-8.8 HG2 ARG 19 - HB3 ARG 30 far 0 94 0 - 7.2-11.2 HB2 ARG 79 - HB2 LYS 82 far 0 62 0 - 9.5-11.7 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 2.2-3.0 2.9=100 HB3 LEU 42 - HB3 ARG 30 far 0 99 0 - 9.9-11.8 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 13 assignments used, quality = 1.00: * HG3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 6 + HB3 ARG 30 OK 68 100 70 97 2.8-5.0 ~8717=41, 2.1/8718=37...(19) HD3 LYS 82 + HB2 LYS 82 OK 34 34 100 100 2.5-3.6 3.5=100 HB3 GLU 28 - HB3 ARG 30 far 0 71 0 - 6.2-8.7 HG12 ILE 56 - HB3 ARG 30 far 0 100 0 - 7.0-11.7 HB ILE 7 - HB3 ARG 30 far 0 99 0 - 7.0-8.0 HG3 LYS 33 - HB3 ARG 30 far 0 84 0 - 8.3-10.1 HG2 LYS 33 - HB3 ARG 30 far 0 94 0 - 8.5-10.3 HG LEU 57 - HB2 LYS 82 far 0 42 0 - 8.5-9.4 HG12 ILE 56 - HB2 LYS 82 far 0 62 0 - 8.6-10.7 HG2 ARG 79 - HB2 LYS 82 far 0 62 0 - 9.5-13.0 HG2 LYS 66 - HB2 LYS 82 far 0 30 0 - 9.6-12.1 HG3 ARG 79 - HB2 LYS 82 far 0 61 0 - 9.9-13.1 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 2.1-4.2 3.6=100 HB3 TYR 41 + HB3 ARG 30 OK 52 68 85 91 4.1-6.2 2.5/8700=35, 1326/1.8=29...(12) HB3 ASP 65 - HB2 LYS 82 far 0 38 0 - 7.9-9.7 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 3 assignments used, quality = 1.00: * HD3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 3.1-4.1 3.6=100 HB3 ASN 60 - HB2 LYS 82 far 0 47 0 - 6.4-7.8 HB2 TRP 92 - HB2 LYS 82 far 0 55 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1337 from cnoeabs.peaks (8.50, 1.37, 32.55 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * H THR 31 + HB3 ARG 30 OK 100 100 100 100 2.3-4.1 6494=100, 6493/1.8=96...(14) H ILE 7 + HB3 ARG 30 OK 52 61 95 88 4.8-5.9 3.6/8699=44, 4.6/8233=38...(10) H VAL 32 - HB3 ARG 30 far 0 96 0 - 5.8-7.4 H ALA 67 - HB2 LYS 82 far 0 55 0 - 7.4-8.9 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 3.7-4.5 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 2.1-3.7 3.9=100 HA THR 31 - HG2 ARG 30 far 4 90 5 - 5.2-6.9 HA ILE 56 - HG2 ARG 30 far 0 75 0 - 9.4-11.1 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 2.3-3.0 2.9=100 HB3 LEU 29 - HG2 ARG 30 far 0 100 0 - 5.5-7.4 HG2 ARG 19 - HG2 ARG 30 far 0 94 0 - 7.0-12.1 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 4 assignments used, quality = 1.00: * HB3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 40 - HG2 ARG 30 far 0 98 0 - 6.5-11.6 HB3 LEU 27 - HG2 ARG 30 far 0 82 0 - 8.5-11.5 HG12 ILE 8 - HG2 ARG 30 far 0 99 0 - 9.5-11.0 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): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 6 - HG2 ARG 30 far 0 100 0 - 4.6-7.7 HB3 GLU 28 - HG2 ARG 30 far 0 71 0 - 5.9-8.4 HG2 LYS 33 - HG2 ARG 30 far 0 94 0 - 8.5-11.6 HG3 LYS 33 - HG2 ARG 30 far 0 84 0 - 8.5-11.4 HB ILE 7 - HG2 ARG 30 far 0 99 0 - 8.6-9.5 HG12 ILE 56 - HG2 ARG 30 far 0 100 0 - 8.7-14.0 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 2.3-3.0 3.0=100 HB3 TYR 41 + HG2 ARG 30 OK 25 68 40 93 4.0-7.8 2.5/8703=26, 4.4/8703=21...(17) 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 2.2-3.0 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): 1 out of 3 assignments used, quality = 1.00: * H THR 31 + HG2 ARG 30 OK 100 100 100 100 2.4-4.8 6495=100, 6496/1.8=100...(13) H ILE 7 - HG2 ARG 30 far 0 61 0 - 6.8-7.5 H VAL 32 - HG2 ARG 30 far 0 96 0 - 6.8-8.5 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 3.4-4.9 4.9=100 H VAL 83 - HG LEU 57 far 2 46 5 - 5.7-7.0 H ARG 30 - HG LEU 57 far 0 53 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 1348 from cnoeabs.peaks (4.91, 1.53, 26.44 ppm; 4.38 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.3-3.6 3.9=100 HA ILE 56 - HG LEU 57 far 0 34 0 - 5.5-6.1 HA THR 31 - HG3 ARG 30 far 0 90 0 - 5.7-6.7 HA ILE 56 - HG2 ARG 79 far 0 47 0 - 5.9-9.8 HA ILE 56 - HG3 ARG 79 far 0 47 0 - 7.3-9.6 HA THR 31 - HG LEU 57 far 0 43 0 - 8.5-9.7 HA ILE 56 - HG3 ARG 30 far 0 75 0 - 9.7-10.8 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 17 assignments used, quality = 0.99: * HB2 ARG 30 + HG3 ARG 30 OK 88 100 100 88 2.2-3.0 2.9=73, 6493/6496=19...(10) HB2 ARG 79 + HG2 ARG 79 OK 66 72 100 91 2.2-3.0 3.0=70, 7289/4.7=15...(15) HB2 ARG 79 + HG3 ARG 79 OK 66 72 100 91 2.3-3.0 3.0=70, 7289/4.7=15...(15) HG LEU 103 - HG3 ARG 79 far 0 60 0 - 4.7-13.2 HB3 LEU 29 - HG3 ARG 30 far 0 100 0 - 5.3-8.2 HB2 LEU 103 - HG2 ARG 79 far 0 63 0 - 5.8-13.2 HB2 LEU 103 - HG3 ARG 79 far 0 63 0 - 5.9-13.5 HG LEU 103 - HG2 ARG 79 far 0 60 0 - 6.0-14.3 HG3 LYS 47 - HG LEU 2 far 0 46 0 - 6.1-11.6 HG2 ARG 19 - HG3 ARG 30 far 0 94 0 - 6.6-11.9 HG2 LYS 68 - HG3 ARG 79 far 0 36 0 - 7.8-13.1 HG2 LYS 68 - HG2 ARG 79 far 0 36 0 - 7.9-12.6 HB2 ARG 79 - HG LEU 57 far 0 53 0 - 8.3-11.0 HG3 LYS 90 - HG LEU 57 far 0 45 0 - 8.6-9.8 HG2 ARG 19 - HG LEU 57 far 0 46 0 - 8.7-12.5 HB3 LEU 29 - HG LEU 57 far 0 52 0 - 9.0-9.9 HG LEU 27 - HG LEU 2 far 0 54 0 - 9.2-11.8 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 24 assignments used, quality = 1.00: * HB3 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 2 + HG LEU 2 OK 27 27 100 100 2.3-3.0 3.0=100 QB ALA 89 + HG LEU 57 OK 25 33 100 76 2.6-3.8 ~10698=23, ~9926=20...(13) HG LEU 14 - HG LEU 57 far 0 43 0 - 6.0-7.6 HG3 LYS 40 - HG3 ARG 30 far 0 98 0 - 6.2-12.1 QB ALA 71 - HG2 ARG 79 far 0 35 0 - 6.3-9.4 QB ALA 71 - HG3 ARG 79 far 0 34 0 - 6.3-8.4 QB ALA 67 - HG2 ARG 79 far 0 43 0 - 6.9-9.7 HG3 LYS 68 - HG3 ARG 79 far 0 59 0 - 7.2-13.2 HB3 LEU 27 - HG LEU 2 far 0 39 0 - 7.5-10.3 HG3 LYS 68 - HG2 ARG 79 far 0 59 0 - 8.0-12.4 HG12 ILE 8 - HG LEU 57 far 0 52 0 - 8.0-9.5 QB ALA 67 - HG3 ARG 79 far 0 43 0 - 8.1-9.9 QB ALA 67 - HG LEU 57 far 0 30 0 - 8.1-8.9 HB3 LEU 27 - HG3 ARG 30 far 0 82 0 - 8.4-11.9 HB2 LYS 82 - HG LEU 57 far 0 37 0 - 8.5-9.4 HG2 LYS 94 - HG LEU 57 far 0 33 0 - 9.2-12.6 HG12 ILE 8 - HG3 ARG 30 far 0 99 0 - 9.3-10.9 QB ALA 89 - HG2 ARG 79 far 0 46 0 - 9.3-11.9 QB ALA 25 - HG LEU 57 far 0 33 0 - 9.3-10.5 QB ALA 89 - HG3 ARG 79 far 0 46 0 - 9.3-12.6 HB2 LYS 82 - HG2 ARG 79 far 0 51 0 - 9.5-13.0 HB2 LYS 82 - HG3 ARG 79 far 0 51 0 - 9.9-13.1 HB3 LEU 27 - HG LEU 57 far 0 38 0 - 10.0-11.6 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 6 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 2.3-3.0 3.0=100 HG LEU 3 - HG LEU 2 far 0 54 0 - 4.8-6.8 HG2 LYS 90 - HG LEU 57 far 0 52 0 - 7.2-8.4 HG LEU 3 - HG2 ARG 79 far 0 72 0 - 8.3-12.8 HG LEU 3 - HG3 ARG 79 far 0 72 0 - 8.4-13.6 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 22 68 35 92 4.3-7.8 2.5/8704=23, 1326/2.9=21...(16) HB3 ASN 51 - HG LEU 2 far 3 55 5 - 5.2-7.2 HB3 ASP 77 - HG2 ARG 79 far 0 37 0 - 7.0-10.5 HD3 ARG 91 - HG LEU 57 far 0 51 0 - 8.0-12.1 HB3 ASP 77 - HG3 ARG 79 far 0 37 0 - 8.0-10.4 HB3 ASP 77 - HG LEU 2 far 0 27 0 - 8.1-12.1 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 18 assignments used, quality = 1.00: * HD3 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 68 68 100 100 2.3-3.0 3.0=100 HB2 TRP 92 + HG LEU 57 OK 26 47 75 73 3.2-4.6 9357/2.1=40, ~9358=28...(8) HB3 HIS 105 - HG3 ARG 79 far 0 62 0 - 5.0-16.1 HB3 HIS 106 - HG3 ARG 79 far 0 48 0 - 5.2-17.2 HB3 HIS 105 - HG2 ARG 79 far 0 62 0 - 5.3-17.7 HB3 HIS 106 - HG2 ARG 79 far 0 49 0 - 5.6-18.2 HB2 PHE 96 - HG3 ARG 79 far 0 66 0 - 6.1-10.0 HB2 PHE 96 - HG2 ARG 79 far 0 66 0 - 6.8-8.5 HB2 PHE 96 - HG LEU 57 far 0 48 0 - 7.5-8.9 HB2 TRP 92 - HG3 ARG 79 far 0 64 0 - 7.9-11.6 HD3 ARG 79 - HG LEU 57 far 0 51 0 - 8.4-12.7 HB2 TRP 92 - HG2 ARG 79 far 0 64 0 - 8.5-10.8 HD2 ARG 79 - HG LEU 57 far 0 50 0 - 8.9-13.1 HB3 ASN 26 - HG LEU 2 far 0 48 0 - 9.8-12.4 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 3.2-4.4 6496=83, 6493/2.9=66...(12) H ARG 79 + HG2 ARG 79 OK 72 72 100 100 1.9-4.8 4.7=63, 7289/3.0=61...(22) H ARG 79 + HG3 ARG 79 OK 72 72 100 100 3.5-4.5 4.7=63, 7289/3.0=61...(19) H LEU 2 + HG LEU 2 OK 49 51 100 97 3.6-4.0 6012=73, ~77=40, ~49=39...(8) H LYS 53 - HG LEU 2 poor 18 37 50 - 3.6-6.1 H VAL 54 - HG2 ARG 79 poor 13 72 30 59 3.1-7.8 11101/9689=10...(14) H VAL 54 - HG3 ARG 79 far 7 71 10 - 4.6-7.6 H ASN 51 - HG LEU 2 far 0 27 0 - 5.0-9.3 H ILE 7 - HG LEU 57 far 0 26 0 - 6.1-7.4 H ILE 7 - HG3 ARG 30 far 0 61 0 - 6.7-7.4 H LYS 53 - HG2 ARG 79 far 0 50 0 - 6.7-10.7 H VAL 32 - HG3 ARG 30 far 0 96 0 - 7.0-8.4 H VAL 54 - HG LEU 2 far 0 54 0 - 7.4-9.9 H LYS 53 - HG3 ARG 79 far 0 50 0 - 7.4-10.9 H ARG 79 - HG LEU 57 far 0 53 0 - 9.1-10.2 H VAL 32 - HG LEU 57 far 0 47 0 - 9.4-10.6 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 2.8-5.9 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 2.3-4.0 1317=100, 1366/1.8=83...(9) HA THR 31 - HD2 ARG 30 far 4 90 5 - 5.0-7.4 HA ILE 56 - HD2 ARG 30 far 0 75 0 - 9.2-11.8 Violated in 0 structures by 0.00 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 2.0-3.6 3.6=100 HB3 LEU 29 - HD2 ARG 30 far 0 100 0 - 5.1-8.1 HG2 ARG 19 - HD2 ARG 30 far 0 94 0 - 6.7-12.0 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 2.1-4.2 3.6=100 HG3 LYS 40 - HD2 ARG 30 far 0 98 0 - 6.1-10.1 HB3 LEU 27 - HD2 ARG 30 far 0 82 0 - 7.8-12.1 HG12 ILE 8 - HD2 ARG 30 far 0 99 0 - 9.1-11.3 HB3 LEU 2 - HD2 ARG 30 far 0 61 0 - 9.4-15.2 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 2 assignments used, quality = 1.00: * HG2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 2 - HD2 ARG 30 far 0 59 0 - 9.4-15.2 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 8 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 far 7 71 10 - 4.6-9.4 HG LEU 6 - HD2 ARG 30 far 0 100 0 - 5.2-8.7 HG3 LYS 33 - HD2 ARG 30 far 0 84 0 - 7.9-11.7 HG2 LYS 33 - HD2 ARG 30 far 0 94 0 - 8.0-11.9 HB ILE 7 - HD2 ARG 30 far 0 99 0 - 8.3-10.6 HG12 ILE 56 - HD2 ARG 30 far 0 100 0 - 9.5-14.0 HB2 LEU 3 - HD2 ARG 30 far 0 88 0 - 9.5-14.2 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 2.2-5.2 6498/1.8=92, 6497=92...(10) H VAL 32 - HD2 ARG 30 far 0 96 0 - 6.3-9.0 H ILE 7 - HD2 ARG 30 far 0 61 0 - 6.6-8.6 Violated in 1 structures by 0.00 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 3.6-5.7 3.0/1366=95, 6485/3.0=90...(11) Violated in 1 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (4.91, 3.08, 42.61 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.0-3.9 1318=93, 1317/1.8=75...(10) HA THR 31 - HD3 ARG 30 far 0 90 0 - 5.2-7.5 Violated in 1 structures by 0.00 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 2.2-4.2 3.6=100 HB3 LEU 29 - HD3 ARG 30 far 5 100 5 - 4.9-7.9 HG2 ARG 19 - HD3 ARG 30 far 0 94 0 - 6.0-10.9 Violated in 1 structures by 0.01 A. Peak 1368 from cnoeabs.peaks (1.37, 3.08, 42.61 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 3.1-4.1 3.6=100 HG3 LYS 40 - HD3 ARG 30 far 0 98 0 - 7.7-11.7 HB3 LEU 27 - HD3 ARG 30 far 0 82 0 - 8.6-12.2 HG12 ILE 8 - HD3 ARG 30 far 0 99 0 - 9.3-11.6 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 2.2-3.0 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 6 assignments used, quality = 1.00: * HG3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 28 - HD3 ARG 30 far 0 71 0 - 5.6-9.1 HG LEU 6 - HD3 ARG 30 far 0 100 0 - 6.2-8.8 HG2 LYS 33 - HD3 ARG 30 far 0 94 0 - 7.7-11.5 HG3 LYS 33 - HD3 ARG 30 far 0 84 0 - 7.7-11.3 HB ILE 7 - HD3 ARG 30 far 0 99 0 - 8.4-10.7 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 0 68 0 - 5.9-8.2 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 2.3-4.8 6498=100, 1319/1366=82...(11) H ILE 7 - HD3 ARG 30 far 0 61 0 - 6.5-8.8 H VAL 32 - HD3 ARG 30 far 0 96 0 - 6.5-9.1 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): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 31 + HA THR 31 OK 100 100 100 100 1.9-2.2 3.2=100 HB2 LEU 6 - HA THR 31 poor 15 59 25 - 4.1-6.6 HB2 LEU 29 - HA THR 31 far 0 93 0 - 7.6-8.0 QG2 THR 34 - HA THR 31 far 0 70 0 - 8.9-9.2 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 2.2-2.4 6505=100, 6506/3.0=36...(8) 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 78 90 100 87 2.5-3.0 8251=53, 4.0/8255=26...(11) H LEU 29 - HA THR 31 far 0 79 0 - 8.4-8.9 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 - 9.4-10.5 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 - 6.4-9.0 QG2 THR 34 - HB THR 31 far 0 70 0 - 7.8-8.2 HB2 LEU 29 - HB THR 31 far 0 93 0 - 9.7-10.0 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 2.4-3.2 6506=71, 6505/3.0=55...(9) H THR 31 + HB THR 31 OK 89 96 100 93 3.5-3.7 3.9=58, 6501/2.1=58...(7) H ILE 7 - HB THR 31 far 0 90 0 - 4.9-5.7 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 3.0-3.4 6501=93, 6500/2.1=52...(9) H VAL 32 + QG2 THR 31 OK 92 96 100 96 3.0-3.6 6507=59, 6506/2.1=52...(8) H ILE 7 + QG2 THR 31 OK 53 61 100 86 3.4-4.2 4.0/8282=38, 4.0/8732=35...(9) 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 1.9-2.2 3.2=100 HA ARG 30 + QG2 THR 31 OK 37 90 65 63 3.8-4.4 3.6/6501=43, 3.0/8742=13...(6) HA ILE 56 - QG2 THR 31 far 0 99 0 - 7.6-8.4 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 3.0-3.6 6507=63, 6506/2.1=56...(9) H THR 31 + QG2 THR 31 OK 94 96 100 98 3.0-3.4 6501=87, 6500/2.1=49...(9) H ILE 7 + QG2 THR 31 OK 82 90 100 91 3.4-4.2 8251/3.2=39, 4.0/8282=38...(9) H LEU 29 - QG2 THR 31 far 0 79 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (8.48, 4.41, 60.95 ppm; 3.84 A): 1 out of 3 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 far 0 96 0 - 4.9-5.1 H ILE 7 - HA VAL 32 far 0 90 0 - 5.4-6.4 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): 2 out of 4 assignments used, quality = 1.00: * HB VAL 32 + HA VAL 32 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 37 + HA VAL 32 OK 63 63 100 99 2.5-3.3 1.8/8824=37, 3.0/8827=35...(21) HB2 LYS 33 - HA VAL 32 far 0 88 0 - 4.9-5.6 HB3 LYS 33 - HA VAL 32 far 0 85 0 - 4.9-5.6 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (0.91, 4.41, 60.95 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 32 + HA VAL 32 OK 100 100 100 100 2.3-2.6 3.2=100 HG13 ILE 8 - HA VAL 32 far 0 92 0 - 4.3-6.4 HG13 ILE 7 - HA VAL 32 far 0 97 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 1393 from cnoeabs.peaks (0.83, 4.41, 60.95 ppm; 3.33 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 32 + HA VAL 32 OK 100 100 100 100 2.1-2.4 3.2=100 QD2 LEU 38 - HA VAL 32 far 0 99 0 - 4.3-6.1 QD1 LEU 38 - HA VAL 32 far 0 79 0 - 4.6-7.4 QG2 ILE 7 - HA VAL 32 far 0 71 0 - 5.2-5.7 QG2 ILE 15 - HA VAL 32 far 0 90 0 - 7.1-7.8 QD1 LEU 70 - HA VAL 32 far 0 96 0 - 7.3-10.0 QD2 LEU 57 - HA VAL 32 far 0 65 0 - 8.8-10.4 QD2 LEU 70 - HA VAL 32 far 0 87 0 - 8.9-11.4 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 2.1-2.2 6515=100, 6517/3.2=34...(15) H LEU 6 - HA VAL 32 far 0 99 0 - 8.7-9.5 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 2.6-2.9 6509=100, 6511/2.1=50...(13) H ILE 7 + HB VAL 32 OK 49 90 65 85 3.8-5.1 8270=39, 1407/2.1=27...(12) H VAL 32 - HB2 LYS 33 far 0 71 0 - 6.0-6.8 H THR 31 - HB VAL 32 far 0 96 0 - 6.0-6.5 H VAL 32 - HB3 LYS 33 far 0 66 0 - 6.1-6.9 H ALA 67 - HB VAL 32 far 0 100 0 - 7.7-10.1 H THR 31 - HB3 LYS 33 far 0 59 0 - 8.9-9.6 H THR 31 - HB2 LYS 33 far 0 63 0 - 9.0-9.4 H ILE 7 - HB2 LYS 33 far 0 57 0 - 9.4-10.8 H ILE 7 - HB3 LYS 33 far 0 53 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 1396 from cnoeabs.peaks (4.41, 1.94, 34.49 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 32 + HB VAL 32 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 32 - HB2 LYS 33 far 4 71 5 - 4.9-5.6 HA VAL 32 - HB3 LYS 33 far 0 66 0 - 4.9-5.6 HA SER 9 - HB2 LYS 33 far 0 62 0 - 6.6-9.3 HA SER 9 - HB VAL 32 far 0 94 0 - 7.1-8.2 HA SER 9 - HB3 LYS 33 far 0 57 0 - 7.2-10.0 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): 2 out of 10 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 99 2.1-3.4 2.1/12200=58...(18) QG1 VAL 32 - HB2 LYS 33 far 0 71 0 - 4.3-5.2 QG1 VAL 32 - HB3 LYS 33 far 0 66 0 - 4.3-5.2 HG13 ILE 7 - HB VAL 32 far 0 97 0 - 6.1-7.0 HG13 ILE 8 - HB3 LYS 33 far 0 55 0 - 6.1-9.4 HG13 ILE 8 - HB2 LYS 33 far 0 59 0 - 6.2-9.5 HG13 ILE 7 - HB2 LYS 33 far 0 65 0 - 9.3-11.2 QG2 VAL 5 - HB VAL 32 far 0 57 0 - 9.3-10.3 HG13 ILE 7 - HB3 LYS 33 far 0 60 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (0.83, 1.94, 34.49 ppm; 3.46 A): 2 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 65 99 80 81 2.2-4.8 1405/2.1=36...(17) QD1 LEU 38 - HB VAL 32 far 8 79 10 - 3.0-6.2 QG2 ILE 7 - HB VAL 32 far 4 71 5 - 4.2-5.1 QD1 LEU 70 - HB VAL 32 far 0 96 0 - 6.1-9.6 QG2 VAL 32 - HB2 LYS 33 far 0 71 0 - 6.1-6.9 QG2 VAL 32 - HB3 LYS 33 far 0 66 0 - 6.2-6.9 QD2 LEU 57 - HB VAL 32 far 0 65 0 - 6.8-8.3 QD2 LEU 38 - HB3 LYS 33 far 0 64 0 - 6.8-8.5 QD2 LEU 38 - HB2 LYS 33 far 0 68 0 - 7.0-8.3 QG2 ILE 15 - HB VAL 32 far 0 90 0 - 7.1-8.1 QG2 ILE 7 - HB2 LYS 33 far 0 43 0 - 7.2-8.5 QG2 ILE 7 - HB3 LYS 33 far 0 40 0 - 7.4-8.6 QD1 LEU 38 - HB2 LYS 33 far 0 49 0 - 7.6-10.5 QD1 LEU 38 - HB3 LYS 33 far 0 45 0 - 7.6-10.6 QG2 ILE 15 - HB3 LYS 33 far 0 53 0 - 7.9-9.9 QD2 LEU 70 - HB VAL 32 far 0 87 0 - 8.1-10.6 QG2 ILE 15 - HB2 LYS 33 far 0 57 0 - 8.2-9.7 QD1 LEU 57 - HB VAL 32 far 0 100 0 - 8.3-9.4 QD1 LEU 70 - HB3 LYS 33 far 0 59 0 - 8.5-11.8 QD1 LEU 70 - HB2 LYS 33 far 0 63 0 - 9.1-12.2 QD2 LEU 70 - HB3 LYS 33 far 0 51 0 - 9.7-12.6 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 4.0-4.3 6515/3.0=66, 6517/2.1=65...(8) H LYS 33 + HB2 LYS 33 OK 71 71 100 100 2.8-3.8 4.1=66, 6523/2.8=54...(18) H LYS 33 + HB3 LYS 33 OK 66 66 100 100 2.8-3.8 4.1=66, 6523/2.8=54...(18) H LEU 6 - HB VAL 32 far 0 99 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (8.48, 0.91, 23.40 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 32 + QG1 VAL 32 OK 100 100 100 100 3.7-3.9 4.0=100 H ILE 7 - QG1 VAL 32 far 0 90 0 - 5.2-6.1 H ALA 67 - QG1 VAL 32 far 0 100 0 - 6.0-8.2 H THR 31 - QG1 VAL 32 far 0 96 0 - 6.3-6.6 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 2.3-2.6 3.2=100 HA SER 9 - QG1 VAL 32 far 0 94 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. Peak 1403 from cnoeabs.peaks (1.94, 0.91, 23.40 ppm; 3.09 A): 2 out of 5 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 1.9-2.0 1.8/8839=44, 3.0/8849=32...(21) HB2 LYS 33 - QG1 VAL 32 far 0 88 0 - 4.3-5.2 HB3 LYS 33 - QG1 VAL 32 far 0 85 0 - 4.3-5.2 HB3 LEU 14 - QG1 VAL 32 far 0 61 0 - 9.9-11.9 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): 2 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 70 99 100 71 1.9-2.8 2.1/8944=19, 4.5/8932=15...(22) QD1 LEU 38 - QG1 VAL 32 far 12 79 15 - 1.9-4.3 QD1 LEU 70 - QG1 VAL 32 far 0 96 0 - 4.0-6.6 QG2 ILE 7 - QG1 VAL 32 far 0 71 0 - 5.2-5.8 QD2 LEU 70 - QG1 VAL 32 far 0 87 0 - 5.5-7.7 QD2 LEU 57 - QG1 VAL 32 far 0 65 0 - 7.1-8.4 QG2 ILE 15 - QG1 VAL 32 far 0 90 0 - 7.3-8.1 QD1 LEU 57 - QG1 VAL 32 far 0 100 0 - 8.2-9.3 QD1 ILE 76 - QG1 VAL 32 far 0 75 0 - 8.3-9.5 QD2 LEU 64 - QG1 VAL 32 far 0 75 0 - 9.5-10.7 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 2.0-2.5 6517=100, 6515/3.2=67...(18) H LEU 6 - QG1 VAL 32 far 0 99 0 - 7.2-8.1 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 98 100 100 98 2.9-3.3 6509/2.1=65, 4.0=61...(11) H ILE 7 + QG2 VAL 32 OK 79 90 95 92 3.1-4.4 4.3/10337=35...(14) H THR 31 + QG2 VAL 32 OK 56 96 80 73 4.0-4.5 3.0/10165=40...(6) H ALA 67 - QG2 VAL 32 far 0 100 0 - 7.3-8.9 H ARG 79 - QG2 VAL 32 far 0 93 0 - 8.8-10.3 H LEU 29 - QG2 VAL 32 far 0 79 0 - 8.8-9.4 H VAL 54 - QG2 VAL 32 far 0 99 0 - 9.5-10.3 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 2.1-2.4 3.2=100 HA SER 9 - QG2 VAL 32 far 0 94 0 - 7.8-8.7 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 6 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 61 63 100 96 2.0-3.0 ~8839=29, 8836/2.1=26...(21) HB2 LYS 33 - QG2 VAL 32 far 0 88 0 - 6.1-6.9 HB3 LYS 33 - QG2 VAL 32 far 0 85 0 - 6.2-6.9 HB3 ARG 19 - QG2 VAL 32 far 0 99 0 - 8.8-12.1 HB3 LEU 14 - QG2 VAL 32 far 0 61 0 - 10.0-12.0 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 5 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 34 92 40 92 3.1-4.4 12203/2.1=29, ~12204=22...(17) HG13 ILE 7 - QG2 VAL 32 far 0 97 0 - 6.2-7.2 QG2 VAL 5 - QG2 VAL 32 far 0 57 0 - 7.4-8.0 QG2 ILE 76 - QG2 VAL 32 far 0 87 0 - 8.3-9.4 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): 1 out of 2 assignments used, quality = 1.00: * H LYS 33 + QG2 VAL 32 OK 100 100 100 100 3.6-4.0 6518=100, 6517/2.1=81...(15) H LEU 6 - QG2 VAL 32 far 0 99 0 - 5.1-5.9 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): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 33 + HA LYS 33 OK 100 100 100 100 2.2-3.0 3.0=98, 2.8/1418=42...(24) HB3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.3-3.0 3.0=98, 2.8/1418=42...(24) HB VAL 32 - HA LYS 33 far 0 88 0 - 4.7-5.1 HB ILE 8 - HA LYS 33 far 0 90 0 - 5.4-7.4 HB3 LEU 14 - HA LYS 33 far 0 96 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1416 from cnoeabs.peaks (1.92, 4.53, 56.85 ppm; 2.98 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.3-3.0 3.0=98, 2.8/1418=42...(24) HB2 LYS 33 + HA LYS 33 OK 100 100 100 100 2.2-3.0 3.0=98, 2.8/1418=42...(24) HB VAL 32 - HA LYS 33 far 0 85 0 - 4.7-5.1 HB ILE 8 - HA LYS 33 far 0 92 0 - 5.4-7.4 HB3 LEU 14 - HA LYS 33 far 0 98 0 - 9.8-11.8 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 2 assignments used, quality = 1.00: * HG2 LYS 33 + HA LYS 33 OK 100 100 100 100 3.6-3.7 1447=83, 1.8/1458=55...(42) HB ILE 7 - HA LYS 33 far 0 84 0 - 9.3-10.2 Violated in 20 structures by 0.09 A. Peak 1418 from cnoeabs.peaks (1.50, 4.53, 56.85 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.7-3.0 3.9=66, 1.8/1447=60...(35) HB ILE 7 - HA LYS 33 far 0 94 0 - 9.3-10.2 HG3 LYS 66 - HA LYS 33 far 0 99 0 - 9.3-13.3 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.90: HD3 LYS 33 + HA LYS 33 OK 90 100 90 100 4.0-5.2 3.0/1418=70, 3.0/1417=66...(46) ! HD2 LYS 33 - HA LYS 33 far 10 100 10 - 4.3-5.1 HG12 ILE 15 - HA LYS 33 far 0 75 0 - 6.8-8.0 HD2 LYS 12 - HA LYS 33 far 0 87 0 - 8.4-12.3 HB ILE 15 - HA LYS 33 far 0 100 0 - 9.1-10.4 HD3 LYS 12 - HA LYS 33 far 0 87 0 - 9.5-13.2 Violated in 20 structures by 0.31 A. Peak 1420 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.90: * HD3 LYS 33 + HA LYS 33 OK 90 100 90 100 4.0-5.2 3.0/1418=70, 3.0/1417=66...(46) HD2 LYS 33 - HA LYS 33 far 10 100 10 - 4.3-5.1 HG12 ILE 15 - HA LYS 33 far 0 75 0 - 6.8-8.0 HD2 LYS 12 - HA LYS 33 far 0 87 0 - 8.4-12.3 HB ILE 15 - HA LYS 33 far 0 100 0 - 9.1-10.4 HD3 LYS 12 - HA LYS 33 far 0 87 0 - 9.5-13.2 Violated in 20 structures by 0.31 A. Peak 1421 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.29 A): 2 out of 5 assignments used, quality = 0.95: HE3 LYS 33 + HA LYS 33 OK 85 100 85 100 3.6-5.4 3.0/1420=68, 3.9/1418=62...(35) * HE2 LYS 33 + HA LYS 33 OK 70 100 70 100 3.6-5.5 3.0/1420=68, 3.9/1418=62...(35) HB2 SER 9 - HA LYS 33 far 0 79 0 - 7.1-8.4 HE2 LYS 12 - HA LYS 33 far 0 98 0 - 8.1-13.5 HB3 ASN 60 - HA LYS 33 far 0 61 0 - 9.4-13.5 Violated in 2 structures by 0.01 A. Peak 1422 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.29 A): 2 out of 5 assignments used, quality = 0.95: * HE3 LYS 33 + HA LYS 33 OK 85 100 85 100 3.6-5.4 3.0/1420=68, 3.9/1418=62...(35) HE2 LYS 33 + HA LYS 33 OK 70 100 70 100 3.6-5.5 3.0/1420=68, 3.9/1418=62...(35) HB2 SER 9 - HA LYS 33 far 0 79 0 - 7.1-8.4 HE2 LYS 12 - HA LYS 33 far 0 98 0 - 8.1-13.5 HB3 ASN 60 - HA LYS 33 far 0 61 0 - 9.4-13.5 Violated in 2 structures by 0.01 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 3.5-3.6 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 + HB2 LYS 33 OK 99 100 100 99 2.8-3.8 4.1=54, 6523/2.8=47...(17) H LYS 33 + HB3 LYS 33 OK 99 100 100 99 2.8-3.8 4.1=54, 6523/2.8=47...(17) H LYS 33 + HB VAL 32 OK 38 71 55 97 4.0-4.3 6515/3.0=58, 6517/2.1=57...(7) H LEU 6 - HB VAL 32 far 0 67 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 1425 from cnoeabs.peaks (4.53, 1.92, 34.35 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 33 - HB VAL 32 far 0 71 0 - 4.7-5.1 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 2.3-3.0 2.8=100 HG2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.0 2.8=100 HG12 ILE 56 - HB VAL 32 far 0 62 0 - 5.7-9.6 HG LEU 6 - HB VAL 32 far 0 56 0 - 6.0-6.8 HG2 LYS 33 - HB VAL 32 far 0 71 0 - 6.2-6.5 HB ILE 7 - HB VAL 32 far 0 52 0 - 6.3-6.9 HG3 ARG 30 - HB VAL 32 far 0 62 0 - 8.0-9.5 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 12 assignments used, quality = 1.00: * HG3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.5-3.0 2.8=100 HG3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.6-3.0 2.8=100 HG3 LYS 33 - HB VAL 32 far 0 71 0 - 5.3-6.0 HG12 ILE 56 - HB VAL 32 far 0 51 0 - 5.7-9.6 HG LEU 6 - HB VAL 32 far 0 58 0 - 6.0-6.8 HB ILE 7 - HB VAL 32 far 0 62 0 - 6.3-6.9 HG3 ARG 30 - HB VAL 32 far 0 52 0 - 8.0-9.5 HD3 LYS 40 - HB3 LYS 33 far 0 59 0 - 8.4-12.3 HD3 LYS 40 - HB VAL 32 far 0 35 0 - 8.8-11.3 HG3 LYS 66 - HB VAL 32 far 0 67 0 - 9.0-11.7 HD3 LYS 40 - HB2 LYS 33 far 0 59 0 - 9.2-11.8 HG LEU 57 - HB VAL 32 far 0 70 0 - 9.6-10.5 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 19 assignments used, quality = 1.00: * HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=86, 1483/2.8=28...(66) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=86, 1419/3.0=43...(64) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=86, 1420/3.0=43...(65) HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=86, 1483/2.8=28...(67) HG12 ILE 15 - HB VAL 32 far 0 46 0 - 6.6-8.1 HB ILE 56 - HB VAL 32 far 0 35 0 - 7.0-8.2 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 7.8-10.2 HD3 LYS 33 - HB VAL 32 far 0 71 0 - 7.8-8.5 HD2 LYS 33 - HB VAL 32 far 0 71 0 - 7.8-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 7.9-10.3 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-13.6 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 8.5-13.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.9-13.0 HB3 LEU 70 - HB VAL 32 far 0 68 0 - 9.1-10.8 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.1-14.3 HG LEU 70 - HB VAL 32 far 0 52 0 - 9.4-11.8 HB ILE 15 - HB VAL 32 far 0 70 0 - 9.5-10.6 HB ILE 15 - HB3 LYS 33 far 0 100 0 - 9.6-12.4 HB ILE 15 - HB2 LYS 33 far 0 100 0 - 10.0-12.1 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 19 assignments used, quality = 1.00: HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=86, 1483/2.8=28...(66) * HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=86, 1419/3.0=43...(64) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=86, 1420/3.0=43...(65) HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=86, 1483/2.8=28...(67) HG12 ILE 15 - HB VAL 32 far 0 46 0 - 6.6-8.1 HB ILE 56 - HB VAL 32 far 0 35 0 - 7.0-8.2 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 7.8-10.2 HD3 LYS 33 - HB VAL 32 far 0 71 0 - 7.8-8.5 HD2 LYS 33 - HB VAL 32 far 0 71 0 - 7.8-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 7.9-10.3 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-13.6 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 8.5-13.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.9-13.0 HB3 LEU 70 - HB VAL 32 far 0 68 0 - 9.1-10.8 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.1-14.3 HG LEU 70 - HB VAL 32 far 0 52 0 - 9.4-11.8 HB ILE 15 - HB VAL 32 far 0 70 0 - 9.5-10.6 HB ILE 15 - HB3 LYS 33 far 0 100 0 - 9.6-12.4 HB ILE 15 - HB2 LYS 33 far 0 100 0 - 10.0-12.1 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 11 assignments used, quality = 1.00: HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=85, 1505/2.8=42...(56) * HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-4.9 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-4.9 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.2-5.0 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 - HB VAL 32 far 0 71 0 - 7.0-9.3 HE3 LYS 33 - HB VAL 32 far 0 71 0 - 7.1-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 98 0 - 7.4-13.6 HB2 SER 9 - HB VAL 32 far 0 49 0 - 7.4-8.7 HE2 LYS 12 - HB3 LYS 33 far 0 97 0 - 7.9-14.8 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 8.3-10.7 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-11.2 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 11 assignments used, quality = 1.00: * HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-4.9 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-4.9 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.2-5.0 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 - HB VAL 32 far 0 71 0 - 7.0-9.3 HE3 LYS 33 - HB VAL 32 far 0 71 0 - 7.1-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 98 0 - 7.4-13.6 HB2 SER 9 - HB VAL 32 far 0 49 0 - 7.4-8.7 HE2 LYS 12 - HB3 LYS 33 far 0 97 0 - 7.9-14.8 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 8.3-10.7 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 1434 from cnoeabs.peaks (7.25, 1.92, 34.35 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * H THR 34 + HB2 LYS 33 OK 99 100 100 99 2.4-4.2 4.4=65, 6530/4.1=54...(9) H THR 34 + HB3 LYS 33 OK 99 100 100 99 2.6-4.1 4.4=65, 6530/4.1=54...(10) H THR 34 - HB VAL 32 far 0 71 0 - 4.8-5.8 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 2.8-3.8 4.1=54, 6523/2.8=47...(17) H LYS 33 + HB2 LYS 33 OK 99 100 100 99 2.8-3.8 4.1=54, 6523/2.8=47...(17) H LYS 33 + HB VAL 32 OK 35 66 55 97 4.0-4.3 6515/3.0=58, 6517/2.1=57...(7) H LEU 6 - HB VAL 32 far 0 62 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 1436 from cnoeabs.peaks (4.53, 1.92, 34.35 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 33 - HB VAL 32 far 0 66 0 - 4.7-5.1 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 2.3-3.0 2.8=100 HG2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.3-3.0 2.8=100 HG12 ILE 56 - HB VAL 32 far 0 58 0 - 5.7-9.6 HG LEU 6 - HB VAL 32 far 0 52 0 - 6.0-6.8 HG2 LYS 33 - HB VAL 32 far 0 66 0 - 6.2-6.5 HB ILE 7 - HB VAL 32 far 0 48 0 - 6.3-6.9 HG3 ARG 30 - HB VAL 32 far 0 57 0 - 8.0-9.5 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 12 assignments used, quality = 1.00: * HG3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.6-3.0 2.8=100 HG3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.5-3.0 2.8=100 HG3 LYS 33 - HB VAL 32 far 0 66 0 - 5.3-6.0 HG12 ILE 56 - HB VAL 32 far 0 47 0 - 5.7-9.6 HG LEU 6 - HB VAL 32 far 0 54 0 - 6.0-6.8 HB ILE 7 - HB VAL 32 far 0 57 0 - 6.3-6.9 HG3 ARG 30 - HB VAL 32 far 0 48 0 - 8.0-9.5 HD3 LYS 40 - HB3 LYS 33 far 0 59 0 - 8.4-12.3 HD3 LYS 40 - HB VAL 32 far 0 32 0 - 8.8-11.3 HG3 LYS 66 - HB VAL 32 far 0 62 0 - 9.0-11.7 HD3 LYS 40 - HB2 LYS 33 far 0 59 0 - 9.2-11.8 HG LEU 57 - HB VAL 32 far 0 66 0 - 9.6-10.5 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 19 assignments used, quality = 1.00: HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=86, 1420/3.0=43...(65) * HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=86, 1483/2.8=28...(67) HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=86, 1483/2.8=28...(66) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=86, 1419/3.0=43...(64) HG12 ILE 15 - HB VAL 32 far 0 42 0 - 6.6-8.1 HB ILE 56 - HB VAL 32 far 0 32 0 - 7.0-8.2 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 7.8-10.2 HD3 LYS 33 - HB VAL 32 far 0 66 0 - 7.8-8.5 HD2 LYS 33 - HB VAL 32 far 0 66 0 - 7.8-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 7.9-10.3 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-13.6 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 8.5-13.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.9-13.0 HB3 LEU 70 - HB VAL 32 far 0 64 0 - 9.1-10.8 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.1-14.3 HG LEU 70 - HB VAL 32 far 0 48 0 - 9.4-11.8 HB ILE 15 - HB VAL 32 far 0 65 0 - 9.5-10.6 HB ILE 15 - HB3 LYS 33 far 0 100 0 - 9.6-12.4 HB ILE 15 - HB2 LYS 33 far 0 100 0 - 10.0-12.1 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 19 assignments used, quality = 1.00: * HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=86, 1420/3.0=43...(65) HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=86, 1483/2.8=28...(67) HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=86, 1483/2.8=28...(66) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=86, 1419/3.0=43...(64) HG12 ILE 15 - HB VAL 32 far 0 42 0 - 6.6-8.1 HB ILE 56 - HB VAL 32 far 0 32 0 - 7.0-8.2 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 7.8-10.2 HD3 LYS 33 - HB VAL 32 far 0 66 0 - 7.8-8.5 HD2 LYS 33 - HB VAL 32 far 0 66 0 - 7.8-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 7.9-10.3 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-13.6 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 8.5-13.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.9-13.0 HB3 LEU 70 - HB VAL 32 far 0 64 0 - 9.1-10.8 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.1-14.3 HG LEU 70 - HB VAL 32 far 0 48 0 - 9.4-11.8 HB ILE 15 - HB VAL 32 far 0 65 0 - 9.5-10.6 HB ILE 15 - HB3 LYS 33 far 0 100 0 - 9.6-12.4 HB ILE 15 - HB2 LYS 33 far 0 100 0 - 10.0-12.1 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 11 assignments used, quality = 1.00: * HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-4.9 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.2-5.0 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-4.9 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 - HB VAL 32 far 0 66 0 - 7.0-9.3 HE3 LYS 33 - HB VAL 32 far 0 66 0 - 7.1-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 97 0 - 7.4-13.6 HB2 SER 9 - HB VAL 32 far 0 45 0 - 7.4-8.7 HE2 LYS 12 - HB3 LYS 33 far 0 98 0 - 7.9-14.8 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 8.3-10.7 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-11.2 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 11 assignments used, quality = 1.00: HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-4.9 4.8=85, 1505/2.8=42...(56) * HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.2-5.0 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-4.9 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 - HB VAL 32 far 0 66 0 - 7.0-9.3 HE3 LYS 33 - HB VAL 32 far 0 66 0 - 7.1-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 97 0 - 7.4-13.6 HB2 SER 9 - HB VAL 32 far 0 45 0 - 7.4-8.7 HE2 LYS 12 - HB3 LYS 33 far 0 98 0 - 7.9-14.8 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 8.3-10.7 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (7.25, 1.92, 34.35 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: H THR 34 + HB2 LYS 33 OK 99 100 100 99 2.4-4.2 4.4=65, 6530/4.1=54...(9) * H THR 34 + HB3 LYS 33 OK 99 100 100 99 2.6-4.1 4.4=65, 6530/4.1=54...(10) H THR 34 - HB VAL 32 far 0 66 0 - 4.8-5.8 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 2.2-2.9 6522=100, 6523/1.8=91...(21) 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 3.6-3.7 1417=100, 1418/1.8=85...(42) Violated in 0 structures by 0.00 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 2.3-3.0 2.8=100 HB3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-3.0 2.8=100 HB VAL 32 - HG2 LYS 33 far 0 88 0 - 6.2-6.5 HB ILE 8 - HG2 LYS 33 far 0 90 0 - 8.7-10.2 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 2.3-3.0 2.8=100 HB2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-3.0 2.8=100 HB VAL 32 - HG2 LYS 33 far 0 85 0 - 6.2-6.5 HB ILE 8 - HG2 LYS 33 far 0 92 0 - 8.7-10.2 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 - 7.3-9.8 HG3 ARG 30 - HG2 LYS 33 far 0 84 0 - 8.3-11.2 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 6 assignments used, quality = 1.00: * HD2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.4-2.9 3.0=100 HG12 ILE 15 - HG2 LYS 33 far 0 75 0 - 7.5-9.3 HD2 LYS 12 - HG2 LYS 33 far 0 87 0 - 8.6-12.2 HD3 LYS 12 - HG2 LYS 33 far 0 87 0 - 8.7-13.3 HB ILE 15 - HG2 LYS 33 far 0 100 0 - 9.3-11.2 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 6 assignments used, quality = 1.00: HD2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.4-2.9 3.0=100 HG12 ILE 15 - HG2 LYS 33 far 0 75 0 - 7.5-9.3 HD2 LYS 12 - HG2 LYS 33 far 0 87 0 - 8.6-12.2 HD3 LYS 12 - HG2 LYS 33 far 0 87 0 - 8.7-13.3 HB ILE 15 - HG2 LYS 33 far 0 100 0 - 9.3-11.2 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 4 assignments used, quality = 1.00: * HE2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.4-4.2 3.9=100 HE3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 3.0-3.8 3.9=100 HE2 LYS 12 - HG2 LYS 33 far 0 98 0 - 7.8-13.5 HB2 SER 9 - HG2 LYS 33 far 0 79 0 - 9.5-10.8 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 4 assignments used, quality = 1.00: HE2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.4-4.2 3.9=100 * HE3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 3.0-3.8 3.9=100 HE2 LYS 12 - HG2 LYS 33 far 0 98 0 - 7.8-13.5 HB2 SER 9 - HG2 LYS 33 far 0 79 0 - 9.5-10.8 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 3.2-3.9 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 2 assignments used, quality = 1.00: * H LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.5-3.1 6523=100, 6522/1.8=88...(22) H LYS 33 - HG3 LYS 66 far 0 76 0 - 9.9-13.6 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 3 assignments used, quality = 1.00: * HA LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.7-3.0 1418=100, 1417/1.8=81...(35) HA PHE 45 - HG2 LYS 47 poor 20 82 40 60 4.0-6.6 6760/6772=34...(4) HA LYS 33 - HG3 LYS 66 far 0 76 0 - 9.3-13.3 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 23 assignments used, quality = 1.00: * HB2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.5-3.0 2.8=87, 3.0/1418=33...(36) HB3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.6-3.0 2.8=87, 3.0/1418=33...(36) HB2 LYS 13 + HG3 LYS 13 OK 92 94 100 98 2.4-3.0 3.0=77, 3.0/486=33...(50) HB3 LYS 13 + HG3 LYS 13 OK 92 94 100 98 2.5-3.0 3.0=77, 3.0/486=33...(50) HB3 LYS 47 + HG2 LYS 47 OK 85 87 100 98 2.3-3.0 3.0=77, 2146/6772=23...(64) HB3 LYS 73 + HG2 LYS 73 OK 46 47 100 98 2.4-3.0 2.9=80, 3.0/3231=21...(58) HB2 LYS 20 - HG3 LYS 24 far 0 73 0 - 4.0-7.1 HB3 LYS 20 - HG3 LYS 24 far 0 88 0 - 4.4-8.7 HB2 GLU 43 - HG2 LYS 47 far 0 85 0 - 4.8-10.0 HB VAL 32 - HG3 LYS 33 far 0 88 0 - 5.3-6.0 HB3 LEU 14 - HG3 LYS 13 far 0 88 0 - 5.9-7.7 HB2 LYS 94 - HG3 LYS 24 far 0 95 0 - 6.3-9.8 HB ILE 8 - HG3 LYS 33 far 0 90 0 - 7.4-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 77 0 - 7.5-10.2 HB2 ARG 19 - HG3 LYS 24 far 0 78 0 - 8.1-11.2 HB3 ARG 19 - HG3 LYS 24 far 0 92 0 - 8.1-12.1 HB ILE 8 - HG3 LYS 66 far 0 62 0 - 8.2-10.5 HB ILE 8 - HG2 LYS 66 far 0 60 0 - 8.5-11.3 HG LEU 42 - HG2 LYS 73 far 0 76 0 - 8.7-11.7 HB2 GLU 17 - HG3 LYS 24 far 0 79 0 - 8.9-12.9 HB VAL 32 - HG3 LYS 66 far 0 61 0 - 9.0-11.7 HB3 LYS 20 - HG3 LYS 13 far 0 86 0 - 9.8-13.5 HB3 LYS 73 - HG2 LYS 66 far 0 36 0 - 9.9-12.7 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 21 assignments used, quality = 1.00: * HB3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.6-3.0 2.8=87, 3.0/1418=33...(36) HB2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.5-3.0 2.8=87, 3.0/1418=33...(36) HB3 LYS 13 + HG3 LYS 13 OK 92 94 100 98 2.5-3.0 3.0=77, 3.0/486=33...(50) HB2 LYS 13 + HG3 LYS 13 OK 92 94 100 98 2.4-3.0 3.0=77, 3.0/486=33...(50) HB3 LYS 47 + HG2 LYS 47 OK 84 86 100 98 2.3-3.0 3.0=77, 2146/6772=23...(64) HB2 LYS 20 - HG3 LYS 24 far 0 76 0 - 4.0-7.1 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 4.4-8.7 HB2 GLU 43 - HG2 LYS 47 far 0 86 0 - 4.8-10.0 HB VAL 32 - HG3 LYS 33 far 0 85 0 - 5.3-6.0 HB3 LEU 14 - HG3 LYS 13 far 0 90 0 - 5.9-7.7 HB2 LYS 94 - HG3 LYS 24 far 0 94 0 - 6.3-9.8 HB ILE 8 - HG3 LYS 33 far 0 92 0 - 7.4-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 74 0 - 7.5-10.2 HB2 ARG 19 - HG3 LYS 24 far 0 81 0 - 8.1-11.2 HB3 ARG 19 - HG3 LYS 24 far 0 90 0 - 8.1-12.1 HB ILE 8 - HG3 LYS 66 far 0 64 0 - 8.2-10.5 HB ILE 8 - HG2 LYS 66 far 0 62 0 - 8.5-11.3 HG LEU 42 - HG2 LYS 73 far 0 79 0 - 8.7-11.7 HB2 GLU 17 - HG3 LYS 24 far 0 76 0 - 8.9-12.9 HB VAL 32 - HG3 LYS 66 far 0 58 0 - 9.0-11.7 HB3 LYS 20 - HG3 LYS 13 far 0 84 0 - 9.8-13.5 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 9 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 HG LEU 2 - HG2 LYS 47 far 0 57 0 - 5.6-11.1 HB2 LEU 14 - HG3 LYS 13 far 0 74 0 - 5.9-7.1 HG3 LYS 90 - HG3 LYS 24 far 0 58 0 - 7.3-11.0 HG2 ARG 19 - HG3 LYS 24 far 0 57 0 - 7.7-12.8 HG3 ARG 30 - HG3 LYS 33 far 0 94 0 - 8.6-11.2 HB ILE 7 - HG3 LYS 33 far 0 84 0 - 9.0-10.0 HD3 LYS 82 - HG2 LYS 66 far 0 64 0 - 9.5-14.4 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 99 100 100 99 2.5-2.9 3.0=79, 1483/1.8=27...(49) * HD2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.4-2.9 3.0=79, 1483/1.8=27...(50) HD3 LYS 13 + HG3 LYS 13 OK 78 80 100 97 2.2-3.0 3.0=80, 5.5/486=12...(47) HD2 LYS 13 + HG3 LYS 13 OK 75 77 100 97 2.4-3.0 3.0=80, 5.5/486=12...(46) HD3 LYS 24 + HG3 LYS 24 OK 72 73 100 98 2.2-3.0 3.0=80, 4.9/1096=14...(69) HD2 LYS 24 + HG3 LYS 24 OK 70 71 100 98 2.4-3.0 3.0=80, 4.9/1096=14...(59) HD3 LYS 66 + HG3 LYS 66 OK 59 61 100 97 2.8-3.0 2.9=81, 2943/3.0=27...(28) HD3 LYS 66 + HG2 LYS 66 OK 57 58 100 97 2.4-2.9 2.9=81, 2943/3.0=27...(28) HG LEU 70 - HG2 LYS 66 far 0 55 0 - 3.8-6.9 HG LEU 70 - HG3 LYS 66 far 0 57 0 - 4.2-6.8 HG LEU 70 - HG2 LYS 73 far 0 69 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 87 0 - 5.0-7.6 HD3 LYS 12 - HG3 LYS 13 far 0 77 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 75 0 - 5.9-7.7 HD2 LYS 12 - HG3 LYS 13 far 0 77 0 - 6.1-9.0 HB3 LEU 70 - HG2 LYS 66 far 0 71 0 - 6.5-9.8 HB3 LEU 70 - HG3 LYS 66 far 0 73 0 - 6.5-9.5 HB ILE 15 - HG3 LYS 13 far 0 93 0 - 6.7-7.8 HG2 PRO 86 - HG3 LYS 13 far 0 64 0 - 6.9-8.7 HD3 LYS 66 - HG2 LYS 73 far 0 74 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 87 0 - 7.3-10.9 HB2 LEU 2 - HG2 LYS 47 far 0 72 0 - 7.6-12.5 HG3 ARG 19 - HG3 LYS 24 far 0 58 0 - 7.7-12.3 HD3 LYS 90 - HG3 LYS 24 far 0 73 0 - 7.9-12.9 HD2 LYS 90 - HG3 LYS 24 far 0 90 0 - 7.9-13.8 HB ILE 15 - HG3 LYS 33 far 0 100 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 87 0 - 7.9-12.0 HG12 ILE 15 - HG3 LYS 13 far 0 66 0 - 8.8-10.4 HG3 ARG 19 - HG3 LYS 13 far 0 57 0 - 9.7-11.2 HD3 LYS 90 - HG3 LYS 13 far 0 71 0 - 9.7-15.3 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 99 100 100 99 2.5-2.9 3.0=79, 1483/1.8=27...(49) HD2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.4-2.9 3.0=79, 1483/1.8=27...(50) HD3 LYS 13 + HG3 LYS 13 OK 78 80 100 97 2.2-3.0 3.0=80, 5.5/486=12...(47) HD2 LYS 13 + HG3 LYS 13 OK 75 77 100 97 2.4-3.0 3.0=80, 5.5/486=12...(46) HD3 LYS 24 + HG3 LYS 24 OK 72 73 100 98 2.2-3.0 3.0=80, 4.9/1096=14...(69) HD2 LYS 24 + HG3 LYS 24 OK 70 71 100 98 2.4-3.0 3.0=80, 4.9/1096=14...(59) HD3 LYS 66 + HG3 LYS 66 OK 59 61 100 97 2.8-3.0 2.9=81, 2943/3.0=27...(28) HD3 LYS 66 + HG2 LYS 66 OK 57 58 100 97 2.4-2.9 2.9=81, 2943/3.0=27...(28) HG LEU 70 - HG2 LYS 66 far 0 55 0 - 3.8-6.9 HG LEU 70 - HG3 LYS 66 far 0 57 0 - 4.2-6.8 HG LEU 70 - HG2 LYS 73 far 0 69 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 87 0 - 5.0-7.6 HD3 LYS 12 - HG3 LYS 13 far 0 77 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 75 0 - 5.9-7.7 HD2 LYS 12 - HG3 LYS 13 far 0 77 0 - 6.1-9.0 HB3 LEU 70 - HG2 LYS 66 far 0 71 0 - 6.5-9.8 HB3 LEU 70 - HG3 LYS 66 far 0 73 0 - 6.5-9.5 HB ILE 15 - HG3 LYS 13 far 0 93 0 - 6.7-7.8 HG2 PRO 86 - HG3 LYS 13 far 0 64 0 - 6.9-8.7 HD3 LYS 66 - HG2 LYS 73 far 0 74 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 87 0 - 7.3-10.9 HB2 LEU 2 - HG2 LYS 47 far 0 72 0 - 7.6-12.5 HG3 ARG 19 - HG3 LYS 24 far 0 58 0 - 7.7-12.3 HD3 LYS 90 - HG3 LYS 24 far 0 73 0 - 7.9-12.9 HD2 LYS 90 - HG3 LYS 24 far 0 90 0 - 7.9-13.8 HB ILE 15 - HG3 LYS 33 far 0 100 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 87 0 - 7.9-12.0 HG12 ILE 15 - HG3 LYS 13 far 0 66 0 - 8.8-10.4 HG3 ARG 19 - HG3 LYS 13 far 0 57 0 - 9.7-11.2 HD3 LYS 90 - HG3 LYS 13 far 0 71 0 - 9.7-15.3 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 10 assignments used, quality = 1.00: HE3 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.0-3.9 3.9=100 * HE2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.0-3.7 3.9=100 HB3 ASP 11 + HG3 LYS 13 OK 32 74 65 66 3.7-6.9 6171/6177=20...(8) HE2 LYS 12 - HG3 LYS 13 far 0 90 0 - 5.6-9.8 HB2 PHE 45 - HG2 LYS 47 far 0 50 0 - 5.9-8.6 HE2 LYS 12 - HG3 LYS 33 far 0 98 0 - 6.9-12.2 HB3 ASN 60 - HG2 LYS 66 far 0 38 0 - 7.2-11.2 HB3 ASN 60 - HG3 LYS 66 far 0 39 0 - 7.4-11.0 HB2 SER 9 - HG3 LYS 33 far 0 79 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 69 0 - 8.0-10.5 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 10 assignments used, quality = 1.00: * HE3 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.0-3.9 3.9=100 HE2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.0-3.7 3.9=100 HB3 ASP 11 + HG3 LYS 13 OK 32 74 65 66 3.7-6.9 6171/6177=20...(8) HE2 LYS 12 - HG3 LYS 13 far 0 90 0 - 5.6-9.8 HB2 PHE 45 - HG2 LYS 47 far 0 50 0 - 5.9-8.6 HE2 LYS 12 - HG3 LYS 33 far 0 98 0 - 6.9-12.2 HB3 ASN 60 - HG2 LYS 66 far 0 38 0 - 7.2-11.2 HB3 ASN 60 - HG3 LYS 66 far 0 39 0 - 7.4-11.0 HB2 SER 9 - HG3 LYS 33 far 0 79 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 69 0 - 8.0-10.5 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 4.1-4.4 4.9=100 H THR 34 - HG3 LYS 66 far 0 76 0 - 8.2-12.2 H THR 34 - HG2 LYS 66 far 0 73 0 - 9.8-13.6 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 + HD2 LYS 33 OK 100 100 100 100 4.4-5.0 6523/3.0=83, 6522/3.0=83...(23) H LYS 33 + HD3 LYS 33 OK 100 100 100 100 4.5-5.0 6523/3.0=83, 6522/3.0=83...(21) 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 + HD3 LYS 33 OK 100 100 100 100 4.0-5.2 1420=100, 1418/3.0=78...(45) * HA LYS 33 + HD2 LYS 33 OK 100 100 100 100 4.3-5.1 1419/1.8=85, 1418/3.0=78...(46) Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 8 out of 34 assignments used, quality = 1.00: * HB2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=68, ~1420=22...(51) HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=68, ~1420=22...(52) HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=68, 3.0/1419=36...(50) HB2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=68, 3.0/1419=36...(49) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.4-3.7 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 100 2.4-3.7 3.6=66, 3.0/488=18...(85) HB3 LYS 13 + HD2 LYS 13 OK 49 50 100 100 2.0-3.8 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD3 LYS 13 OK 43 54 80 100 2.4-4.2 3.6=66, 3.0/488=18...(85) HB2 LYS 20 - HD3 LYS 24 far 5 31 15 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 1 30 5 - 3.7-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 40 0 - 4.1-9.3 HB3 LYS 20 - HD2 LYS 24 far 0 38 0 - 5.0-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 38 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 45 0 - 6.2-8.6 HB3 LEU 14 - HD3 LYS 13 far 0 48 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 41 0 - 6.9-10.7 HB2 ARG 19 - HD2 LYS 24 far 0 32 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 41 0 - 7.7-12.8 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 7.7-10.1 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 88 0 - 7.8-8.5 HB VAL 32 - HD2 LYS 33 far 0 88 0 - 7.8-8.5 HB2 ARG 19 - HD3 LYS 24 far 0 34 0 - 8.1-12.3 HB3 LYS 20 - HD2 LYS 13 far 0 43 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 47 0 - 8.5-13.4 HB ILE 8 - HD2 LYS 33 far 0 90 0 - 8.9-11.8 HB2 GLU 17 - HD3 LYS 24 far 0 35 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 47 0 - 9.4-12.8 HB2 ARG 19 - HD2 LYS 13 far 0 37 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 37 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 34 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 50 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 90 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 8 out of 34 assignments used, quality = 1.00: * HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=68, ~1420=22...(52) HB2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=68, ~1420=22...(51) HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=68, 3.0/1419=36...(50) HB2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=68, 3.0/1419=36...(49) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.4-3.7 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 100 2.4-3.7 3.6=66, 3.0/488=18...(85) HB3 LYS 13 + HD2 LYS 13 OK 50 50 100 100 2.0-3.8 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD3 LYS 13 OK 43 54 80 100 2.4-4.2 3.6=66, 3.0/488=18...(85) HB2 LYS 20 - HD3 LYS 24 far 5 33 15 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 2 31 5 - 3.7-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 38 0 - 4.1-9.3 HB3 LYS 20 - HD2 LYS 24 far 0 37 0 - 5.0-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 36 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 46 0 - 6.2-8.6 HB3 LEU 14 - HD3 LYS 13 far 0 50 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 39 0 - 6.9-10.7 HB2 ARG 19 - HD2 LYS 24 far 0 34 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 40 0 - 7.7-12.8 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 7.7-10.1 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 85 0 - 7.8-8.5 HB VAL 32 - HD2 LYS 33 far 0 85 0 - 7.8-8.5 HB2 ARG 19 - HD3 LYS 24 far 0 35 0 - 8.1-12.3 HB3 LYS 20 - HD2 LYS 13 far 0 42 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 45 0 - 8.5-13.4 HB ILE 8 - HD2 LYS 33 far 0 92 0 - 8.9-11.8 HB2 GLU 17 - HD3 LYS 24 far 0 33 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 45 0 - 9.4-12.8 HB2 ARG 19 - HD2 LYS 13 far 0 39 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 39 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 36 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 49 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 92 0 - 9.7-11.6 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 15 assignments used, quality = 1.00: HG2 LYS 33 + HD3 LYS 33 OK 97 100 100 97 2.4-2.9 3.0=76, 1417/1419=22...(43) * HG2 LYS 33 + HD2 LYS 33 OK 97 100 100 97 2.2-3.0 3.0=76, 1494/3.0=16...(43) HG2 LYS 24 + HD3 LYS 24 OK 21 22 100 96 2.4-3.0 3.0=77, 1.8/1463=7...(62) HG2 LYS 24 + HD2 LYS 24 OK 20 21 100 96 2.3-3.0 3.0=77, 1.8/1464=7...(57) HB2 LEU 14 - HD2 LYS 13 far 0 36 0 - 5.6-8.6 HB2 LEU 14 - HD3 LYS 13 far 0 39 0 - 6.2-8.2 HG2 ARG 19 - HD3 LYS 24 far 0 23 0 - 8.0-13.8 HG2 ARG 19 - HD2 LYS 24 far 0 22 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 24 0 - 8.5-12.3 HG3 LYS 90 - HD2 LYS 13 far 0 26 0 - 8.8-13.3 HG3 LYS 90 - HD2 LYS 24 far 0 23 0 - 9.2-12.6 HG2 ARG 19 - HD3 LYS 13 far 0 27 0 - 9.3-13.8 HG3 ARG 30 - HD2 LYS 33 far 0 94 0 - 9.3-12.4 HG2 ARG 19 - HD2 LYS 13 far 0 25 0 - 9.5-14.3 HG3 LYS 90 - HD3 LYS 13 far 0 28 0 - 10.0-13.8 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 11 assignments used, quality = 1.00: HG3 LYS 33 + HD3 LYS 33 OK 95 100 100 95 2.5-2.9 3.0=72, 1418/1419=22...(38) * HG3 LYS 33 + HD2 LYS 33 OK 95 100 100 95 2.4-2.9 3.0=72, 1495/3.0=14...(39) HG3 LYS 13 + HD3 LYS 13 OK 50 53 100 95 2.2-3.0 3.0=72, 486/5.5=11...(38) HG3 LYS 13 + HD2 LYS 13 OK 46 49 100 95 2.4-3.0 3.0=72, 486/5.5=11...(38) HG3 LYS 24 + HD3 LYS 24 OK 44 46 100 96 2.2-3.0 3.0=72, 1096/4.9=14...(54) HG3 LYS 24 + HD2 LYS 24 OK 42 43 100 96 2.4-3.0 3.0=72, 1096/4.9=14...(51) HB2 LEU 14 - HD2 LYS 13 far 0 43 0 - 5.6-8.6 HB2 LEU 14 - HD3 LYS 13 far 0 46 0 - 6.2-8.2 HD3 LYS 40 - HD2 LYS 33 far 0 59 0 - 8.4-12.0 HG3 ARG 30 - HD2 LYS 33 far 0 84 0 - 9.3-12.4 HD3 LYS 40 - HD3 LYS 33 far 0 59 0 - 9.7-12.1 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: HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-2.8 3.0=100 * HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 4.3-8.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 4.7-11.5 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 5.3-11.7 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-12.4 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 6.5-12.8 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 8.5-12.2 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 8.9-12.0 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: * HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-2.8 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 4.3-8.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 4.7-11.5 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 5.3-11.7 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-12.4 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 6.5-12.8 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 8.5-12.2 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 8.9-12.0 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 + HD3 LYS 33 OK 100 100 100 100 5.0-5.7 6535/3.0=96, 6534/3.0=95...(9) * H THR 34 + HD2 LYS 33 OK 100 100 100 100 5.3-6.0 6535/3.0=96, 6534/3.0=95...(9) 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 + HD2 LYS 33 OK 100 100 100 100 4.4-5.0 6523/3.0=83, 6522/3.0=83...(23) * H LYS 33 + HD3 LYS 33 OK 100 100 100 100 4.5-5.0 6523/3.0=83, 6522/3.0=83...(21) 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 + HD3 LYS 33 OK 100 100 100 100 4.0-5.2 1420=100, 1418/3.0=78...(45) HA LYS 33 + HD2 LYS 33 OK 100 100 100 100 4.3-5.1 1419/1.8=85, 1418/3.0=78...(46) Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 8 out of 34 assignments used, quality = 1.00: HB2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=68, ~1420=22...(51) HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=68, ~1420=22...(52) HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=68, 3.0/1419=36...(50) * HB2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=68, 3.0/1419=36...(49) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.4-3.7 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 100 2.4-3.7 3.6=66, 3.0/488=18...(85) HB3 LYS 13 + HD2 LYS 13 OK 49 50 100 100 2.0-3.8 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD3 LYS 13 OK 43 54 80 100 2.4-4.2 3.6=66, 3.0/488=18...(85) HB2 LYS 20 - HD3 LYS 24 far 5 31 15 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 1 30 5 - 3.7-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 40 0 - 4.1-9.3 HB3 LYS 20 - HD2 LYS 24 far 0 38 0 - 5.0-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 38 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 45 0 - 6.2-8.6 HB3 LEU 14 - HD3 LYS 13 far 0 48 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 41 0 - 6.9-10.7 HB2 ARG 19 - HD2 LYS 24 far 0 32 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 41 0 - 7.7-12.8 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 7.7-10.1 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 88 0 - 7.8-8.5 HB VAL 32 - HD2 LYS 33 far 0 88 0 - 7.8-8.5 HB2 ARG 19 - HD3 LYS 24 far 0 34 0 - 8.1-12.3 HB3 LYS 20 - HD2 LYS 13 far 0 43 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 47 0 - 8.5-13.4 HB ILE 8 - HD2 LYS 33 far 0 90 0 - 8.9-11.8 HB2 GLU 17 - HD3 LYS 24 far 0 35 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 47 0 - 9.4-12.8 HB2 ARG 19 - HD2 LYS 13 far 0 37 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 37 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 34 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 50 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 90 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1482 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 8 out of 34 assignments used, quality = 1.00: HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.1-3.6 3.5=68, ~1420=22...(52) HB2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.6 3.5=68, ~1420=22...(51) * HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.8 3.5=68, 3.0/1419=36...(50) HB2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.1-3.7 3.5=68, 3.0/1419=36...(49) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.4-3.7 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 100 2.4-3.7 3.6=66, 3.0/488=18...(85) HB3 LYS 13 + HD2 LYS 13 OK 50 50 100 100 2.0-3.8 3.6=66, 3.0/488=18...(83) HB2 LYS 13 + HD3 LYS 13 OK 43 54 80 100 2.4-4.2 3.6=66, 3.0/488=18...(85) HB2 LYS 20 - HD3 LYS 24 far 5 33 15 - 2.9-7.7 HB2 LYS 20 - HD2 LYS 24 far 2 31 5 - 3.7-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 38 0 - 4.1-9.3 HB3 LYS 20 - HD2 LYS 24 far 0 37 0 - 5.0-8.4 HB2 GLU 17 - HD2 LYS 13 far 0 36 0 - 5.9-9.8 HB3 LEU 14 - HD2 LYS 13 far 0 46 0 - 6.2-8.6 HB3 LEU 14 - HD3 LYS 13 far 0 50 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 39 0 - 6.9-10.7 HB2 ARG 19 - HD2 LYS 24 far 0 34 0 - 7.6-12.3 HB3 ARG 19 - HD2 LYS 24 far 0 40 0 - 7.7-12.8 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 7.7-10.1 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 7.8-10.2 HB VAL 32 - HD3 LYS 33 far 0 85 0 - 7.8-8.5 HB VAL 32 - HD2 LYS 33 far 0 85 0 - 7.8-8.5 HB2 ARG 19 - HD3 LYS 24 far 0 35 0 - 8.1-12.3 HB3 LYS 20 - HD2 LYS 13 far 0 42 0 - 8.3-13.1 HB3 LYS 20 - HD3 LYS 13 far 0 45 0 - 8.5-13.4 HB ILE 8 - HD2 LYS 33 far 0 92 0 - 8.9-11.8 HB2 GLU 17 - HD3 LYS 24 far 0 33 0 - 8.9-12.8 HB3 ARG 19 - HD2 LYS 13 far 0 45 0 - 9.4-12.8 HB2 ARG 19 - HD2 LYS 13 far 0 39 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 39 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 36 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 49 0 - 9.6-13.3 HB ILE 8 - HD3 LYS 33 far 0 92 0 - 9.7-11.6 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 15 assignments used, quality = 1.00: * HG2 LYS 33 + HD3 LYS 33 OK 97 100 100 97 2.4-2.9 3.0=76, 1417/1419=22...(43) HG2 LYS 33 + HD2 LYS 33 OK 97 100 100 97 2.2-3.0 3.0=76, 1494/3.0=16...(43) HG2 LYS 24 + HD3 LYS 24 OK 21 22 100 96 2.4-3.0 3.0=77, 1.8/1463=7...(62) HG2 LYS 24 + HD2 LYS 24 OK 20 21 100 96 2.3-3.0 3.0=77, 1.8/1464=7...(57) HB2 LEU 14 - HD2 LYS 13 far 0 36 0 - 5.6-8.6 HB2 LEU 14 - HD3 LYS 13 far 0 39 0 - 6.2-8.2 HG2 ARG 19 - HD3 LYS 24 far 0 23 0 - 8.0-13.8 HG2 ARG 19 - HD2 LYS 24 far 0 22 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 24 0 - 8.5-12.3 HG3 LYS 90 - HD2 LYS 13 far 0 26 0 - 8.8-13.3 HG3 LYS 90 - HD2 LYS 24 far 0 23 0 - 9.2-12.6 HG2 ARG 19 - HD3 LYS 13 far 0 27 0 - 9.3-13.8 HG3 ARG 30 - HD2 LYS 33 far 0 94 0 - 9.3-12.4 HG2 ARG 19 - HD2 LYS 13 far 0 25 0 - 9.5-14.3 HG3 LYS 90 - HD3 LYS 13 far 0 28 0 - 10.0-13.8 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 11 assignments used, quality = 1.00: * HG3 LYS 33 + HD3 LYS 33 OK 95 100 100 95 2.5-2.9 3.0=72, 1418/1419=22...(38) HG3 LYS 33 + HD2 LYS 33 OK 95 100 100 95 2.4-2.9 3.0=72, 1495/3.0=14...(39) HG3 LYS 13 + HD3 LYS 13 OK 50 53 100 95 2.2-3.0 3.0=72, 486/5.5=11...(38) HG3 LYS 13 + HD2 LYS 13 OK 46 49 100 95 2.4-3.0 3.0=72, 486/5.5=11...(38) HG3 LYS 24 + HD3 LYS 24 OK 44 46 100 96 2.2-3.0 3.0=72, 1096/4.9=14...(54) HG3 LYS 24 + HD2 LYS 24 OK 42 43 100 96 2.4-3.0 3.0=72, 1096/4.9=14...(51) HB2 LEU 14 - HD2 LYS 13 far 0 43 0 - 5.6-8.6 HB2 LEU 14 - HD3 LYS 13 far 0 46 0 - 6.2-8.2 HD3 LYS 40 - HD2 LYS 33 far 0 59 0 - 8.4-12.0 HG3 ARG 30 - HD2 LYS 33 far 0 84 0 - 9.3-12.4 HD3 LYS 40 - HD3 LYS 33 far 0 59 0 - 9.7-12.1 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: HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-2.8 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 4.3-8.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 4.7-11.5 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 5.3-11.7 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-12.4 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 6.5-12.8 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 8.5-12.2 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 8.9-12.0 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: HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-2.8 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 * HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 4.3-8.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 4.7-11.5 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 5.3-11.7 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-12.4 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 6.5-12.8 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 8.5-12.2 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.7-11.4 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 8.7-11.3 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 8.9-12.0 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 + HD3 LYS 33 OK 100 100 100 100 5.0-5.7 6535/3.0=96, 6534/3.0=95...(9) H THR 34 + HD2 LYS 33 OK 100 100 100 100 5.3-6.0 6535/3.0=96, 6534/3.0=95...(9) 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 3 assignments used, quality = 1.00: H LYS 33 + HE3 LYS 33 OK 100 100 100 100 4.8-5.8 6523/3.9=82, 6522/3.9=81...(17) * H LYS 33 + HE2 LYS 33 OK 85 100 85 100 4.2-6.4 6523/3.9=82, 6522/3.9=81...(17) H LYS 33 - HE2 LYS 12 far 0 95 0 - 9.6-14.6 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 + HE3 LYS 33 OK 100 100 100 100 3.6-5.4 1419/3.0=81, 1418/3.9=76...(35) * HA LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.6-5.5 1419/3.0=81, 1418/3.9=76...(35) HA LYS 33 - HE2 LYS 12 far 0 95 0 - 8.1-13.5 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 17 assignments used, quality = 1.00: HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=56, 3.0/1421=29...(51) * HB2 LYS 33 + HE2 LYS 33 OK 90 100 90 100 2.9-4.9 4.8=56, ~1420=26...(51) HB3 LYS 33 + HE3 LYS 33 OK 90 100 90 100 2.2-5.0 4.8=56, 3.0/1421=29...(51) HB3 LYS 33 + HE2 LYS 33 OK 85 100 85 100 2.1-4.9 4.8=56, ~1420=26...(51) HB3 ARG 19 - HE2 LYS 12 far 0 91 0 - 6.9-11.8 HB VAL 32 - HE2 LYS 33 far 0 88 0 - 7.0-9.3 HB VAL 32 - HE3 LYS 33 far 0 88 0 - 7.1-9.3 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.2-10.2 HB2 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.4-13.6 HB2 ARG 19 - HE2 LYS 12 far 0 76 0 - 7.4-12.8 HB3 LEU 14 - HE2 LYS 12 far 0 88 0 - 7.5-10.3 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.8-10.5 HB3 LYS 33 - HE2 LYS 12 far 0 94 0 - 7.9-14.8 HB ILE 8 - HE3 LYS 33 far 0 90 0 - 8.1-11.6 HB ILE 8 - HE2 LYS 33 far 0 90 0 - 8.5-11.9 HB3 LEU 14 - HE2 LYS 33 far 0 96 0 - 9.2-14.4 HB3 LEU 14 - HE3 LYS 33 far 0 96 0 - 9.4-13.9 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 17 assignments used, quality = 1.00: HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=56, 3.0/1421=29...(51) HB3 LYS 33 + HE3 LYS 33 OK 90 100 90 100 2.2-5.0 4.8=56, 3.0/1421=29...(51) HB2 LYS 33 + HE2 LYS 33 OK 90 100 90 100 2.9-4.9 4.8=56, ~1420=26...(51) * HB3 LYS 33 + HE2 LYS 33 OK 85 100 85 100 2.1-4.9 4.8=56, ~1420=26...(51) HB3 ARG 19 - HE2 LYS 12 far 0 89 0 - 6.9-11.8 HB VAL 32 - HE2 LYS 33 far 0 85 0 - 7.0-9.3 HB VAL 32 - HE3 LYS 33 far 0 85 0 - 7.1-9.3 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.2-10.2 HB2 LYS 33 - HE2 LYS 12 far 0 94 0 - 7.4-13.6 HB2 ARG 19 - HE2 LYS 12 far 0 79 0 - 7.4-12.8 HB3 LEU 14 - HE2 LYS 12 far 0 90 0 - 7.5-10.3 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.8-10.5 HB3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.9-14.8 HB ILE 8 - HE3 LYS 33 far 0 92 0 - 8.1-11.6 HB ILE 8 - HE2 LYS 33 far 0 92 0 - 8.5-11.9 HB3 LEU 14 - HE2 LYS 33 far 0 98 0 - 9.2-14.4 HB3 LEU 14 - HE3 LYS 33 far 0 98 0 - 9.4-13.9 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 10 assignments used, quality = 1.00: HG2 LYS 33 + HE3 LYS 33 OK 98 100 100 98 3.0-3.8 3.9=71, 1472/3.0=29...(38) * HG2 LYS 33 + HE2 LYS 33 OK 98 100 100 98 2.4-4.2 3.9=71, 1472/3.0=29...(38) HG2 ARG 19 - HE2 LYS 12 far 0 55 0 - 7.0-12.4 HG2 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.8-13.5 HB2 LEU 14 - HE2 LYS 12 far 0 75 0 - 8.8-10.9 HB ILE 7 - HE2 LYS 12 far 0 75 0 - 8.9-13.9 HG3 ARG 30 - HE3 LYS 33 far 0 94 0 - 9.0-13.7 HB ILE 7 - HE2 LYS 33 far 0 84 0 - 9.4-13.1 HB ILE 7 - HE3 LYS 33 far 0 84 0 - 9.5-13.4 HG2 ARG 19 - HE3 LYS 33 far 0 63 0 - 9.7-14.3 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 11 assignments used, quality = 1.00: HG3 LYS 33 + HE3 LYS 33 OK 98 100 100 98 2.0-3.9 3.9=78, 1418/1422=22...(28) * HG3 LYS 33 + HE2 LYS 33 OK 98 100 100 98 2.0-3.7 3.9=78, 1484/3.0=19...(28) HG3 LYS 13 - HE2 LYS 12 far 0 93 0 - 5.6-9.8 HG3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.9-12.2 HB2 LEU 14 - HE2 LYS 12 far 0 85 0 - 8.8-10.9 HB ILE 7 - HE2 LYS 12 far 0 85 0 - 8.9-13.9 HG3 ARG 30 - HE3 LYS 33 far 0 84 0 - 9.0-13.7 HD3 LYS 40 - HE2 LYS 33 far 0 59 0 - 9.1-13.7 HB ILE 7 - HE2 LYS 33 far 0 94 0 - 9.4-13.1 HB ILE 7 - HE3 LYS 33 far 0 94 0 - 9.5-13.4 HD3 LYS 40 - HE3 LYS 33 far 0 59 0 - 9.6-13.1 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 22 assignments used, quality = 1.00: HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.5-3.0 3.0=86, 1483/3.9=12...(16) HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.3-2.8 3.0=86, 1483/3.9=12...(16) HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1472/3.9=12...(17) * HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.5-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HD3 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HB ILE 15 - HE2 LYS 12 far 5 94 5 - 3.4-7.2 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.9 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 4.7-11.5 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.1-10.4 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.2-11.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 5.3-11.7 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-10.9 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-11.8 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 5.5-11.6 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.6-10.6 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-12.4 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.1-11.9 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.5-11.9 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.5-12.8 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 6.9-12.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-14.2 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 22 assignments used, quality = 1.00: HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.5-3.0 3.0=86, 1483/3.9=12...(16) * HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.3-2.8 3.0=86, 1483/3.9=12...(16) HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.5-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HD3 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HB ILE 15 - HE2 LYS 12 far 5 94 5 - 3.4-7.2 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.9 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 4.7-11.5 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.1-10.4 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.2-11.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 5.3-11.7 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-10.9 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-11.8 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 5.5-11.6 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.6-10.6 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-12.4 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.1-11.9 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.5-11.9 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.5-12.8 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 6.9-12.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-14.2 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 3 assignments used, quality = 1.00: * H LYS 33 + HE3 LYS 33 OK 100 100 100 100 4.8-5.8 6523/3.9=82, 6522/3.9=81...(17) H LYS 33 + HE2 LYS 33 OK 85 100 85 100 4.2-6.4 6523/3.9=82, 6522/3.9=81...(17) H LYS 33 - HE2 LYS 12 far 0 95 0 - 9.6-14.6 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 + HE3 LYS 33 OK 100 100 100 100 3.6-5.4 1419/3.0=81, 1418/3.9=76...(35) HA LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.6-5.5 1419/3.0=81, 1418/3.9=76...(35) HA LYS 33 - HE2 LYS 12 far 0 95 0 - 8.1-13.5 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 17 assignments used, quality = 1.00: * HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=56, 3.0/1421=29...(51) HB2 LYS 33 + HE2 LYS 33 OK 90 100 90 100 2.9-4.9 4.8=56, ~1420=26...(51) HB3 LYS 33 + HE3 LYS 33 OK 90 100 90 100 2.2-5.0 4.8=56, 3.0/1421=29...(51) HB3 LYS 33 + HE2 LYS 33 OK 85 100 85 100 2.1-4.9 4.8=56, ~1420=26...(51) HB3 ARG 19 - HE2 LYS 12 far 0 91 0 - 6.9-11.8 HB VAL 32 - HE2 LYS 33 far 0 88 0 - 7.0-9.3 HB VAL 32 - HE3 LYS 33 far 0 88 0 - 7.1-9.3 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.2-10.2 HB2 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.4-13.6 HB2 ARG 19 - HE2 LYS 12 far 0 76 0 - 7.4-12.8 HB3 LEU 14 - HE2 LYS 12 far 0 88 0 - 7.5-10.3 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.8-10.5 HB3 LYS 33 - HE2 LYS 12 far 0 94 0 - 7.9-14.8 HB ILE 8 - HE3 LYS 33 far 0 90 0 - 8.1-11.6 HB ILE 8 - HE2 LYS 33 far 0 90 0 - 8.5-11.9 HB3 LEU 14 - HE2 LYS 33 far 0 96 0 - 9.2-14.4 HB3 LEU 14 - HE3 LYS 33 far 0 96 0 - 9.4-13.9 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 17 assignments used, quality = 1.00: HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 2.5-4.8 4.8=56, 3.0/1421=29...(51) * HB3 LYS 33 + HE3 LYS 33 OK 90 100 90 100 2.2-5.0 4.8=56, 3.0/1421=29...(51) HB2 LYS 33 + HE2 LYS 33 OK 90 100 90 100 2.9-4.9 4.8=56, ~1420=26...(51) HB3 LYS 33 + HE2 LYS 33 OK 85 100 85 100 2.1-4.9 4.8=56, ~1420=26...(51) HB3 ARG 19 - HE2 LYS 12 far 0 89 0 - 6.9-11.8 HB VAL 32 - HE2 LYS 33 far 0 85 0 - 7.0-9.3 HB VAL 32 - HE3 LYS 33 far 0 85 0 - 7.1-9.3 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.2-10.2 HB2 LYS 33 - HE2 LYS 12 far 0 94 0 - 7.4-13.6 HB2 ARG 19 - HE2 LYS 12 far 0 79 0 - 7.4-12.8 HB3 LEU 14 - HE2 LYS 12 far 0 90 0 - 7.5-10.3 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.8-10.5 HB3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.9-14.8 HB ILE 8 - HE3 LYS 33 far 0 92 0 - 8.1-11.6 HB ILE 8 - HE2 LYS 33 far 0 92 0 - 8.5-11.9 HB3 LEU 14 - HE2 LYS 33 far 0 98 0 - 9.2-14.4 HB3 LEU 14 - HE3 LYS 33 far 0 98 0 - 9.4-13.9 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 10 assignments used, quality = 1.00: * HG2 LYS 33 + HE3 LYS 33 OK 98 100 100 98 3.0-3.8 3.9=71, 1472/3.0=29...(38) HG2 LYS 33 + HE2 LYS 33 OK 98 100 100 98 2.4-4.2 3.9=71, 1472/3.0=29...(38) HG2 ARG 19 - HE2 LYS 12 far 0 55 0 - 7.0-12.4 HG2 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.8-13.5 HB2 LEU 14 - HE2 LYS 12 far 0 75 0 - 8.8-10.9 HB ILE 7 - HE2 LYS 12 far 0 75 0 - 8.9-13.9 HG3 ARG 30 - HE3 LYS 33 far 0 94 0 - 9.0-13.7 HB ILE 7 - HE2 LYS 33 far 0 84 0 - 9.4-13.1 HB ILE 7 - HE3 LYS 33 far 0 84 0 - 9.5-13.4 HG2 ARG 19 - HE3 LYS 33 far 0 63 0 - 9.7-14.3 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 11 assignments used, quality = 1.00: * HG3 LYS 33 + HE3 LYS 33 OK 98 100 100 98 2.0-3.9 3.9=78, 1418/1422=22...(28) HG3 LYS 33 + HE2 LYS 33 OK 98 100 100 98 2.0-3.7 3.9=78, 1484/3.0=19...(28) HG3 LYS 13 - HE2 LYS 12 far 0 93 0 - 5.6-9.8 HG3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.9-12.2 HB2 LEU 14 - HE2 LYS 12 far 0 85 0 - 8.8-10.9 HB ILE 7 - HE2 LYS 12 far 0 85 0 - 8.9-13.9 HG3 ARG 30 - HE3 LYS 33 far 0 84 0 - 9.0-13.7 HD3 LYS 40 - HE2 LYS 33 far 0 59 0 - 9.1-13.7 HB ILE 7 - HE2 LYS 33 far 0 94 0 - 9.4-13.1 HB ILE 7 - HE3 LYS 33 far 0 94 0 - 9.5-13.4 HD3 LYS 40 - HE3 LYS 33 far 0 59 0 - 9.6-13.1 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 22 assignments used, quality = 1.00: HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.5-3.0 3.0=86, 1483/3.9=12...(16) HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.3-2.8 3.0=86, 1483/3.9=12...(16) * HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.5-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HD3 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HB ILE 15 - HE2 LYS 12 far 5 94 5 - 3.4-7.2 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.9 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 4.7-11.5 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.1-10.4 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.2-11.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 5.3-11.7 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-10.9 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-11.8 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 5.5-11.6 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.6-10.6 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-12.4 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.1-11.9 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.5-11.9 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.5-12.8 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 6.9-12.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-14.2 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 22 assignments used, quality = 1.00: * HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.5-3.0 3.0=86, 1483/3.9=12...(16) HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.3-2.8 3.0=86, 1483/3.9=12...(16) HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.5-3.0 3.0=86, 1472/3.9=12...(17) HD2 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HD3 LYS 12 + HE2 LYS 12 OK 76 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(52) HB ILE 15 - HE2 LYS 12 far 5 94 5 - 3.4-7.2 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.9 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 4.7-11.5 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.1-10.4 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.2-11.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 5.3-11.7 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-10.9 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.5-11.8 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 5.5-11.6 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.6-10.6 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-12.4 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.1-11.9 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.5-11.9 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.5-12.8 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 6.9-12.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-14.2 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 3 assignments used, quality = 1.00: * QG2 THR 34 + HA THR 34 OK 100 100 100 100 2.5-2.6 3.2=100 QG2 THR 31 - HA THR 34 far 0 70 0 - 9.4-10.1 HB2 LEU 6 - HA THR 34 far 0 100 0 - 9.8-11.8 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 2.3-2.7 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 3.7-4.0 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 2.3-2.4 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 2.1-2.7 6547=100, 6546/3.0=64...(9) 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...(16) 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 2.5-2.6 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 - 7.0-8.1 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 3.7-4.0 6548=100, 6547/2.1=87...(10) 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 2.8-2.9 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): 4 out of 21 assignments used, quality = 1.00: * HB2 GLU 35 + HA GLU 35 OK 100 100 100 100 2.6-3.0 3.0=96, 6550/3.0=38...(25) QE MET 74 + HA GLU 43 OK 90 97 100 93 2.6-3.6 9610=52, 12303/2.9=39...(15) HB3 LYS 94 + HA ARG 91 OK 56 95 90 65 2.5-4.7 4196=21, 7514/7502=17...(11) HB2 ARG 46 + HA GLU 43 OK 32 67 60 79 2.1-4.9 3.6/10171=23...(9) QE MET 74 - HA LYS 40 far 0 61 0 - 4.2-5.3 HB2 GLU 37 - HA GLU 35 far 0 77 0 - 4.7-5.4 HB2 GLU 44 - HA GLU 43 far 0 97 0 - 5.5-6.0 HB2 GLU 44 - HA LYS 40 far 0 60 0 - 5.6-7.0 HB3 GLU 44 - HA GLU 43 far 0 97 0 - 6.1-6.6 HB3 GLU 44 - HA LYS 40 far 0 60 0 - 6.2-8.2 HG12 ILE 93 - HA ARG 91 far 0 76 0 - 6.2-8.4 QE MET 74 - HA GLU 35 far 0 100 0 - 7.2-9.0 HB2 GLU 37 - HA LYS 40 far 0 40 0 - 7.4-8.1 HB2 LYS 47 - HA GLU 43 far 0 55 0 - 7.8-9.0 HB3 GLU 17 - HA ARG 91 far 0 100 0 - 7.9-11.1 HB2 GLU 62 - HA GLU 35 far 0 99 0 - 7.9-11.6 HB2 GLU 98 - HA ARG 91 far 0 62 0 - 7.9-11.0 HB2 ARG 46 - HA LYS 40 far 0 37 0 - 8.0-10.8 HB2 GLU 35 - HA LYS 40 far 0 62 0 - 9.0-11.3 HB3 GLU 98 - HA ARG 91 far 0 64 0 - 9.4-11.2 HB2 GLU 99 - HA ARG 91 far 0 64 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 1530 from cnoeabs.peaks (2.08, 3.89, 59.23 ppm; 2.96 A): 3 out of 22 assignments used, quality = 1.00: * HB3 GLU 35 + HA GLU 35 OK 100 100 100 100 2.2-2.4 3.0=95, 6551/3.0=38...(27) HB3 GLU 43 + HA GLU 43 OK 91 92 100 100 3.0-3.0 3.0=95, 6694/2.9=42...(31) HB3 LEU 38 + HA GLU 35 OK 46 99 60 77 2.6-5.1 1634/12057=26...(13) HB3 GLU 43 - HA LYS 40 poor 19 55 90 37 2.8-4.0 6694/6692=16, 1971=14...(4) QE MET 21 - HA ARG 91 far 0 93 0 - 4.0-5.8 HB2 MET 74 - HA GLU 43 far 0 90 0 - 4.6-6.1 HG3 GLU 37 - HA GLU 35 far 0 79 0 - 5.0-6.1 HB2 MET 21 - HA ARG 91 far 0 76 0 - 5.3-8.5 HB3 GLU 88 - HA ARG 91 far 0 99 0 - 7.1-8.0 HB3 LEU 38 - HA LYS 40 far 0 60 0 - 7.3-8.6 HG3 GLU 37 - HA LYS 40 far 0 42 0 - 7.5-8.4 HB2 GLU 98 - HA ARG 91 far 0 64 0 - 7.9-11.0 HB2 MET 74 - HA LYS 40 far 0 53 0 - 8.5-9.7 HB3 PRO 86 - HA ARG 91 far 0 85 0 - 9.0-11.6 HB3 GLU 48 - HA GLU 43 far 0 67 0 - 9.1-10.5 HB3 GLU 35 - HA LYS 40 far 0 62 0 - 9.2-11.3 HB2 PRO 86 - HA ARG 91 far 0 58 0 - 9.2-11.5 HB VAL 83 - HA ARG 91 far 0 72 0 - 9.3-10.3 HB3 GLU 98 - HA ARG 91 far 0 62 0 - 9.4-11.2 HB3 GLU 62 - HA GLU 35 far 0 99 0 - 9.4-12.9 HB3 LEU 38 - HA GLU 43 far 0 97 0 - 9.5-11.7 HB2 GLU 99 - HA ARG 91 far 0 62 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 1531 from cnoeabs.peaks (2.20, 3.89, 59.23 ppm; 3.17 A): 3 out of 16 assignments used, quality = 1.00: HG3 GLU 35 + HA GLU 35 OK 99 100 100 99 2.6-3.7 4.1=47, 1539/3.0=24...(32) HG2 GLU 43 + HA GLU 43 OK 96 97 100 99 2.4-3.8 3.7=64, 6695/2.9=40...(22) * HG2 GLU 35 + HA GLU 35 OK 64 100 65 99 2.7-4.2 4.1=47, 1539/3.0=24...(32) HG2 GLU 43 - HA LYS 40 poor 20 60 60 55 2.8-4.5 6695/6692=15...(8) HB2 GLU 95 - HA ARG 91 far 0 99 0 - 4.5-7.9 HB3 GLU 95 - HA ARG 91 far 0 60 0 - 4.5-7.8 HB2 GLU 63 - HA GLU 35 far 0 100 0 - 6.4-8.6 HG2 GLU 35 - HA LYS 40 far 0 62 0 - 7.9-10.8 HG3 GLU 35 - HA LYS 40 far 0 62 0 - 8.0-11.0 HG2 GLU 98 - HA ARG 91 far 0 92 0 - 8.3-11.2 HB3 GLU 75 - HA GLU 43 far 0 97 0 - 8.3-9.5 HG3 GLU 75 - HA GLU 43 far 0 85 0 - 8.9-11.3 HG2 GLU 99 - HA ARG 91 far 0 84 0 - 9.4-12.0 HG2 GLU 43 - HA GLU 35 far 0 99 0 - 9.8-11.7 HG2 GLU 75 - HA GLU 43 far 0 82 0 - 9.9-11.7 HG3 PRO 86 - HA ARG 91 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 1532 from cnoeabs.peaks (2.20, 3.89, 59.23 ppm; 3.17 A): 3 out of 16 assignments used, quality = 1.00: * HG3 GLU 35 + HA GLU 35 OK 99 100 100 99 2.6-3.7 4.1=47, 1539/3.0=24...(32) HG2 GLU 43 + HA GLU 43 OK 96 97 100 99 2.4-3.8 3.7=64, 6695/2.9=40...(22) HG2 GLU 35 + HA GLU 35 OK 64 100 65 99 2.7-4.2 4.1=47, 1539/3.0=24...(32) HG2 GLU 43 - HA LYS 40 poor 20 60 60 55 2.8-4.5 6695/6692=15...(8) HB2 GLU 95 - HA ARG 91 far 0 99 0 - 4.5-7.9 HB3 GLU 95 - HA ARG 91 far 0 60 0 - 4.5-7.8 HB2 GLU 63 - HA GLU 35 far 0 100 0 - 6.4-8.6 HG2 GLU 35 - HA LYS 40 far 0 62 0 - 7.9-10.8 HG3 GLU 35 - HA LYS 40 far 0 62 0 - 8.0-11.0 HG2 GLU 98 - HA ARG 91 far 0 92 0 - 8.3-11.2 HB3 GLU 75 - HA GLU 43 far 0 97 0 - 8.3-9.5 HG3 GLU 75 - HA GLU 43 far 0 85 0 - 8.9-11.3 HG2 GLU 99 - HA ARG 91 far 0 84 0 - 9.4-12.0 HG2 GLU 43 - HA GLU 35 far 0 99 0 - 9.8-11.7 HG2 GLU 75 - HA GLU 43 far 0 82 0 - 9.9-11.7 HG3 PRO 86 - HA ARG 91 far 0 100 0 - 9.9-12.5 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 8 assignments used, quality = 1.00: * H ASP 36 + HA GLU 35 OK 100 100 100 100 3.4-3.5 3.6=97, 6558/3.0=55...(21) H GLU 43 + HA GLU 43 OK 97 97 100 100 2.8-2.9 2.9=100 H GLU 43 + HA LYS 40 OK 51 60 100 85 3.5-4.0 6692=42, 6683/3.6=32...(10) H PHE 96 - HA ARG 91 far 0 81 0 - 6.0-6.9 H LYS 68 - HA GLU 35 far 0 100 0 - 7.6-10.2 H SER 97 - HA ARG 91 far 0 74 0 - 7.8-8.4 H ASP 36 - HA LYS 40 far 0 62 0 - 8.0-8.5 H GLU 43 - HA GLU 35 far 0 99 0 - 9.7-11.1 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 2.1-3.6 6550=100, 6551/1.8=83...(18) 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 15 assignments used, quality = 1.00: * HA GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 102 - HB3 GLU 99 poor 14 56 25 - 2.6-9.6 HA3 GLY 101 - HB3 GLU 99 far 6 56 10 - 4.0-7.7 HA2 GLY 101 - HB3 GLU 99 far 2 47 5 - 4.0-8.2 HA2 GLY 100 - HB3 GLU 99 far 0 47 0 - 4.7-6.2 HA ALA 67 - HB2 GLU 35 far 0 71 0 - 5.8-8.9 HA GLU 63 - HB2 GLU 35 far 0 82 0 - 6.2-9.2 HA ALA 89 - HB3 GLU 17 far 0 59 0 - 6.4-8.2 HA LEU 38 - HB2 GLU 35 far 0 98 0 - 6.9-8.7 HA LYS 12 - HB3 GLU 17 far 0 40 0 - 7.4-8.9 HA ARG 91 - HB3 GLU 17 far 0 64 0 - 7.9-11.1 HB2 SER 85 - HB3 GLU 17 far 0 57 0 - 8.0-10.7 HA LYS 94 - HB3 GLU 99 far 0 47 0 - 8.0-10.9 HB3 SER 9 - HB3 GLU 17 far 0 31 0 - 8.1-9.8 HA LYS 40 - HB2 GLU 35 far 0 90 0 - 9.0-11.3 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 HB2 PRO 86 - HB3 GLU 17 poor 8 31 25 - 2.8-4.6 HB3 PRO 86 - HB3 GLU 17 poor 7 49 65 22 2.4-4.4 11077/10310=5, ~12333=5...(7) HB3 GLU 98 - HB3 GLU 99 far 0 29 0 - 3.7-6.8 HB3 LEU 38 - HB2 GLU 35 far 0 99 0 - 4.3-7.9 HB2 GLU 98 - HB3 GLU 99 far 0 31 0 - 4.3-6.5 HB2 GLU 16 - HB3 GLU 17 far 0 64 0 - 4.9-6.0 HG3 GLU 104 - HB3 GLU 99 far 0 50 0 - 5.2-14.1 HB2 MET 21 - HB3 GLU 17 far 0 42 0 - 5.6-8.3 HG3 GLU 37 - HB2 GLU 35 far 0 79 0 - 6.2-7.4 QE MET 21 - HB3 GLU 17 far 0 56 0 - 7.2-9.1 HB3 GLU 62 - HB2 GLU 35 far 0 99 0 - 8.1-13.2 HB VAL 83 - HB3 GLU 17 far 0 40 0 - 8.2-10.2 HB3 GLU 88 - HB3 GLU 17 far 0 64 0 - 8.4-10.8 QE MET 21 - HB3 GLU 99 far 0 49 0 - 9.0-12.3 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: * HG2 GLU 35 + HB2 GLU 35 OK 95 100 100 95 2.3-3.0 2.9=70, 1551/1.8=24...(23) HG3 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 38 43 100 89 2.3-3.0 3.0=68, 4402/3.0=18...(14) HB2 GLU 95 - HB3 GLU 99 far 0 56 0 - 4.3-7.9 HB3 GLU 95 - HB3 GLU 99 far 0 28 0 - 4.6-9.4 HB3 GLU 16 - HB3 GLU 17 far 0 41 0 - 4.7-6.4 HG3 PRO 86 - HB3 GLU 17 far 0 64 0 - 4.7-6.6 HG2 GLU 98 - HB3 GLU 99 far 0 48 0 - 5.9-8.6 HG2 MET 1 - HB3 GLU 99 far 0 57 0 - 6.2-12.7 HB2 GLU 63 - HB2 GLU 35 far 0 100 0 - 7.7-10.2 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: HG2 GLU 35 + HB2 GLU 35 OK 95 100 100 95 2.3-3.0 2.9=70, 1551/1.8=24...(23) * HG3 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 38 43 100 89 2.3-3.0 3.0=68, 4402/3.0=18...(14) HB2 GLU 95 - HB3 GLU 99 far 0 56 0 - 4.3-7.9 HB3 GLU 95 - HB3 GLU 99 far 0 28 0 - 4.6-9.4 HB3 GLU 16 - HB3 GLU 17 far 0 41 0 - 4.7-6.4 HG3 PRO 86 - HB3 GLU 17 far 0 64 0 - 4.7-6.6 HG2 GLU 98 - HB3 GLU 99 far 0 48 0 - 5.9-8.6 HG2 MET 1 - HB3 GLU 99 far 0 57 0 - 6.2-12.7 HB2 GLU 63 - HB2 GLU 35 far 0 100 0 - 7.7-10.2 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 5 assignments used, quality = 1.00: * H ASP 36 + HB2 GLU 35 OK 100 100 100 100 2.9-3.8 6558=100, 6556/6550=58...(12) H PHE 96 - HB3 GLU 99 far 2 41 5 - 4.5-8.1 H SER 97 - HB3 GLU 99 far 2 36 5 - 4.6-7.7 H GLU 104 - HB3 GLU 99 far 0 36 0 - 5.9-10.9 H LYS 68 - HB2 GLU 35 far 0 100 0 - 7.9-11.8 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 2.7-3.5 6551=100, 6550/1.8=85...(17) 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 10 assignments used, quality = 1.00: * HA GLU 35 + HB3 GLU 35 OK 100 100 100 100 2.2-2.4 3.0=100 HA GLU 43 + HB3 GLU 43 OK 85 85 100 100 3.0-3.0 3.0=100 HA LYS 40 + HB3 GLU 43 OK 34 71 100 48 2.8-4.0 6692/6694=19, 1781=15...(7) HA LYS 12 - HB2 GLU 16 far 0 63 0 - 4.2-7.0 HA GLU 63 - HB3 GLU 35 far 0 82 0 - 4.5-7.9 HA ALA 67 - HB3 GLU 35 far 0 71 0 - 5.0-7.4 HA LEU 38 - HB3 GLU 35 far 0 98 0 - 6.8-8.4 HA LEU 38 - HB3 GLU 43 far 0 80 0 - 8.3-9.1 HB3 SER 9 - HB2 GLU 16 far 0 50 0 - 8.7-12.0 HA LYS 40 - HB3 GLU 35 far 0 90 0 - 9.2-11.3 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 13 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 - 3.6-4.7 HB2 GLU 44 - HB3 GLU 43 far 0 84 0 - 3.9-5.3 HB3 GLU 44 - HB3 GLU 43 far 0 84 0 - 4.5-5.9 HB3 GLU 17 - HB2 GLU 16 far 0 93 0 - 4.9-6.0 HB2 ARG 46 - HB3 GLU 43 far 0 54 0 - 4.9-7.4 HB2 GLU 62 - HB3 GLU 35 far 0 99 0 - 6.0-11.2 HB2 GLU 37 - HB3 GLU 35 far 0 77 0 - 6.9-7.6 QE MET 74 - HB3 GLU 35 far 0 100 0 - 7.2-9.7 HB2 LYS 47 - HB3 GLU 43 far 0 44 0 - 8.4-10.2 HG12 ILE 93 - HB2 GLU 16 far 0 67 0 - 9.7-13.2 HG12 ILE 93 - HB2 GLU 23 far 0 62 0 - 9.7-12.1 HB2 GLU 37 - HB3 GLU 43 far 0 59 0 - 9.9-11.4 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 7 assignments used, quality = 1.00: * HG2 GLU 35 + HB3 GLU 35 OK 88 100 100 88 2.4-3.0 2.9=54, 1.8/1551=21...(23) HG3 GLU 35 + HB3 GLU 35 OK 87 100 100 87 2.2-3.0 2.9=54, 1.8/1558=21...(23) HG2 GLU 43 + HB3 GLU 43 OK 65 83 100 78 2.2-2.9 3.0=51, 6695/6694=18...(13) HB3 GLU 16 + HB2 GLU 16 OK 65 65 100 100 1.8-1.8 1.8=100 HB2 GLU 63 - HB3 GLU 35 far 0 100 0 - 6.3-9.3 HG3 PRO 86 - HB2 GLU 16 far 0 93 0 - 9.1-11.9 HG2 GLU 43 - HB3 GLU 35 far 0 99 0 - 9.8-13.1 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 7 assignments used, quality = 1.00: HG2 GLU 35 + HB3 GLU 35 OK 88 100 100 88 2.4-3.0 2.9=54, 1.8/1551=21...(23) * HG3 GLU 35 + HB3 GLU 35 OK 87 100 100 87 2.2-3.0 2.9=54, 1.8/1558=21...(23) HG2 GLU 43 + HB3 GLU 43 OK 65 83 100 78 2.2-2.9 3.0=51, 6695/6694=18...(13) HB3 GLU 16 + HB2 GLU 16 OK 65 65 100 100 1.8-1.8 1.8=100 HB2 GLU 63 - HB3 GLU 35 far 0 100 0 - 6.3-9.3 HG3 PRO 86 - HB2 GLU 16 far 0 93 0 - 9.1-11.9 HG2 GLU 43 - HB3 GLU 35 far 0 99 0 - 9.8-13.1 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 4.1-4.3 6558/1.8=74, 6559=54...(12) H GLU 43 + HB3 GLU 43 OK 83 83 100 100 2.2-2.7 6694=93, 6689/1.8=78...(15) H LYS 68 - HB3 GLU 35 far 0 100 0 - 7.2-10.3 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 2.8-4.5 6551/2.9=71, 6550/2.9=71...(18) H GLU 35 + HG3 GLU 35 OK 100 100 100 100 1.9-4.7 6551/2.9=71, 6550/2.9=71...(19) 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 18 assignments used, quality = 1.00: HA GLU 35 + HG3 GLU 35 OK 99 100 100 99 2.6-3.7 4.1=47, 3.0/1538=24...(32) HA GLU 43 + HG2 GLU 43 OK 95 96 100 99 2.4-3.8 3.7=64, 2.9/6695=40...(22) * HA GLU 35 + HG2 GLU 35 OK 64 100 65 99 2.7-4.2 4.1=47, 1532/1.8=24...(32) HA LYS 40 + HG2 GLU 43 OK 27 83 60 54 2.8-4.5 6692/6695=15...(8) HA ALA 67 - HG2 GLU 35 far 0 71 0 - 4.4-9.4 HA ALA 67 - HG3 GLU 35 far 0 71 0 - 5.7-9.0 HA GLU 63 - HG2 GLU 35 far 0 82 0 - 5.8-10.5 HA LEU 38 - HG3 GLU 35 far 0 98 0 - 6.3-8.5 HA LEU 38 - HG2 GLU 35 far 0 98 0 - 6.6-9.4 HA GLU 63 - HG3 GLU 35 far 0 82 0 - 6.7-10.2 HA LYS 40 - HG2 GLU 35 far 0 90 0 - 7.9-10.8 HA LYS 40 - HG3 GLU 35 far 0 90 0 - 8.0-11.0 HA LEU 38 - HG2 GLU 43 far 0 92 0 - 8.1-9.0 HB3 SER 49 - HG3 GLU 75 far 0 34 0 - 8.3-12.1 HA GLU 43 - HG3 GLU 75 far 0 53 0 - 8.9-11.3 HB3 SER 49 - HG2 GLU 75 far 0 32 0 - 9.0-11.6 HA GLU 35 - HG2 GLU 43 far 0 97 0 - 9.8-11.7 HA GLU 43 - HG2 GLU 75 far 0 49 0 - 9.9-11.7 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 + HG2 GLU 35 OK 96 100 100 96 2.3-3.0 2.9=74, 1538/1.8=27...(24) HB2 GLU 35 + HG3 GLU 35 OK 96 100 100 96 2.4-3.0 2.9=74, 1539/1.8=27...(24) QE MET 74 + HG2 GLU 43 OK 74 96 100 78 1.9-3.3 10280/1.8=38...(11) HB2 ARG 46 - HG2 GLU 43 far 0 65 0 - 4.7-8.3 QE MET 74 - HG3 GLU 35 far 0 100 0 - 5.8-10.1 HB2 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-7.4 QE MET 74 - HG2 GLU 35 far 0 100 0 - 6.4-9.4 QE MET 74 - HG3 GLU 75 far 0 52 0 - 6.4-8.5 HB3 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.6-8.1 HB2 GLU 37 - HG2 GLU 35 far 0 77 0 - 6.8-8.7 QE MET 74 - HG2 GLU 75 far 0 48 0 - 6.9-8.8 HB2 GLU 37 - HG3 GLU 35 far 0 77 0 - 6.9-8.2 HB2 ARG 46 - HG3 GLU 75 far 0 31 0 - 7.0-11.1 HB2 GLU 62 - HG2 GLU 35 far 0 99 0 - 7.7-13.0 HB2 ARG 46 - HG2 GLU 75 far 0 29 0 - 8.3-11.7 HB2 GLU 62 - HG3 GLU 35 far 0 99 0 - 8.5-13.3 HB2 GLU 37 - HG2 GLU 43 far 0 71 0 - 9.9-11.5 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 14 assignments used, quality = 1.00: * HB3 GLU 35 + HG2 GLU 35 OK 91 100 100 91 2.4-3.0 2.9=58, 1.8/1538=23...(25) HB3 GLU 35 + HG3 GLU 35 OK 90 100 100 90 2.2-3.0 2.9=58, 1.8/1539=23...(25) HB3 GLU 43 + HG2 GLU 43 OK 75 90 100 83 2.2-2.9 3.0=55, 700/1.8=22...(16) HB3 LEU 38 - HG3 GLU 35 far 0 99 0 - 3.5-7.0 HB3 LEU 38 - HG2 GLU 35 far 0 99 0 - 4.0-8.0 HB2 MET 74 - HG3 GLU 75 far 0 46 0 - 5.0-7.1 HB2 MET 74 - HG2 GLU 43 far 0 88 0 - 5.0-7.2 HB2 MET 74 - HG2 GLU 75 far 0 42 0 - 5.7-7.5 HG3 GLU 37 - HG2 GLU 35 far 0 79 0 - 6.1-8.2 HG3 GLU 37 - HG3 GLU 35 far 0 79 0 - 6.3-8.2 HB3 LEU 38 - HG2 GLU 43 far 0 95 0 - 8.0-10.6 HB3 GLU 62 - HG2 GLU 35 far 0 99 0 - 9.4-14.3 HB2 MET 74 - HG3 GLU 35 far 0 94 0 - 9.4-14.2 HB3 GLU 35 - HG2 GLU 43 far 0 97 0 - 9.8-13.1 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 8 assignments used, quality = 1.00: H GLU 43 + HG2 GLU 43 OK 95 95 100 100 2.5-2.9 6695=87, 6696/1.8=75...(15) * H ASP 36 + HG2 GLU 35 OK 93 100 95 98 2.1-4.6 6558/2.9=60, 6561=48...(15) H ASP 36 + HG3 GLU 35 OK 84 100 85 98 2.2-4.8 6558/2.9=60, 6561=44...(15) H LYS 68 - HG2 GLU 35 far 0 100 0 - 7.1-12.2 H LYS 68 - HG3 GLU 35 far 0 100 0 - 8.0-11.9 H GLU 43 - HG3 GLU 35 far 0 99 0 - 9.0-12.8 H GLU 43 - HG2 GLU 35 far 0 99 0 - 9.5-12.3 H ASP 36 - HG2 GLU 43 far 0 97 0 - 9.9-11.3 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 2.8-4.5 6551/2.9=71, 6550/2.9=71...(18) * H GLU 35 + HG3 GLU 35 OK 100 100 100 100 1.9-4.7 6551/2.9=71, 6550/2.9=71...(19) 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 18 assignments used, quality = 1.00: * HA GLU 35 + HG3 GLU 35 OK 99 100 100 99 2.6-3.7 4.1=47, 3.0/1538=24...(32) HA GLU 43 + HG2 GLU 43 OK 95 96 100 99 2.4-3.8 3.7=64, 2.9/6695=40...(22) HA GLU 35 + HG2 GLU 35 OK 64 100 65 99 2.7-4.2 4.1=47, 1532/1.8=24...(32) HA LYS 40 + HG2 GLU 43 OK 27 83 60 54 2.8-4.5 6692/6695=15...(8) HA ALA 67 - HG2 GLU 35 far 0 71 0 - 4.4-9.4 HA ALA 67 - HG3 GLU 35 far 0 71 0 - 5.7-9.0 HA GLU 63 - HG2 GLU 35 far 0 82 0 - 5.8-10.5 HA LEU 38 - HG3 GLU 35 far 0 98 0 - 6.3-8.5 HA LEU 38 - HG2 GLU 35 far 0 98 0 - 6.6-9.4 HA GLU 63 - HG3 GLU 35 far 0 82 0 - 6.7-10.2 HA LYS 40 - HG2 GLU 35 far 0 90 0 - 7.9-10.8 HA LYS 40 - HG3 GLU 35 far 0 90 0 - 8.0-11.0 HA LEU 38 - HG2 GLU 43 far 0 92 0 - 8.1-9.0 HB3 SER 49 - HG3 GLU 75 far 0 34 0 - 8.3-12.1 HA GLU 43 - HG3 GLU 75 far 0 53 0 - 8.9-11.3 HB3 SER 49 - HG2 GLU 75 far 0 32 0 - 9.0-11.6 HA GLU 35 - HG2 GLU 43 far 0 97 0 - 9.8-11.7 HA GLU 43 - HG2 GLU 75 far 0 49 0 - 9.9-11.7 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 + HG2 GLU 35 OK 96 100 100 96 2.3-3.0 2.9=74, 1538/1.8=27...(24) * HB2 GLU 35 + HG3 GLU 35 OK 96 100 100 96 2.4-3.0 2.9=74, 1539/1.8=27...(24) QE MET 74 + HG2 GLU 43 OK 74 96 100 78 1.9-3.3 10280/1.8=38...(11) HB2 ARG 46 - HG2 GLU 43 far 0 65 0 - 4.7-8.3 QE MET 74 - HG3 GLU 35 far 0 100 0 - 5.8-10.1 HB2 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-7.4 QE MET 74 - HG2 GLU 35 far 0 100 0 - 6.4-9.4 QE MET 74 - HG3 GLU 75 far 0 52 0 - 6.4-8.5 HB3 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.6-8.1 HB2 GLU 37 - HG2 GLU 35 far 0 77 0 - 6.8-8.7 QE MET 74 - HG2 GLU 75 far 0 48 0 - 6.9-8.8 HB2 GLU 37 - HG3 GLU 35 far 0 77 0 - 6.9-8.2 HB2 ARG 46 - HG3 GLU 75 far 0 31 0 - 7.0-11.1 HB2 GLU 62 - HG2 GLU 35 far 0 99 0 - 7.7-13.0 HB2 ARG 46 - HG2 GLU 75 far 0 29 0 - 8.3-11.7 HB2 GLU 62 - HG3 GLU 35 far 0 99 0 - 8.5-13.3 HB2 GLU 37 - HG2 GLU 43 far 0 71 0 - 9.9-11.5 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 14 assignments used, quality = 1.00: HB3 GLU 35 + HG2 GLU 35 OK 91 100 100 91 2.4-3.0 2.9=58, 1.8/1538=23...(25) * HB3 GLU 35 + HG3 GLU 35 OK 90 100 100 90 2.2-3.0 2.9=58, 1.8/1539=23...(25) HB3 GLU 43 + HG2 GLU 43 OK 75 90 100 83 2.2-2.9 3.0=55, 700/1.8=22...(16) HB3 LEU 38 - HG3 GLU 35 far 0 99 0 - 3.5-7.0 HB3 LEU 38 - HG2 GLU 35 far 0 99 0 - 4.0-8.0 HB2 MET 74 - HG3 GLU 75 far 0 46 0 - 5.0-7.1 HB2 MET 74 - HG2 GLU 43 far 0 88 0 - 5.0-7.2 HB2 MET 74 - HG2 GLU 75 far 0 42 0 - 5.7-7.5 HG3 GLU 37 - HG2 GLU 35 far 0 79 0 - 6.1-8.2 HG3 GLU 37 - HG3 GLU 35 far 0 79 0 - 6.3-8.2 HB3 LEU 38 - HG2 GLU 43 far 0 95 0 - 8.0-10.6 HB3 GLU 62 - HG2 GLU 35 far 0 99 0 - 9.4-14.3 HB2 MET 74 - HG3 GLU 35 far 0 94 0 - 9.4-14.2 HB3 GLU 35 - HG2 GLU 43 far 0 97 0 - 9.8-13.1 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 8 assignments used, quality = 1.00: H GLU 43 + HG2 GLU 43 OK 95 95 100 100 2.5-2.9 6695=87, 6696/1.8=75...(15) H ASP 36 + HG2 GLU 35 OK 93 100 95 98 2.1-4.6 6558/2.9=60, 6561=48...(15) * H ASP 36 + HG3 GLU 35 OK 84 100 85 98 2.2-4.8 6558/2.9=60, 6561=44...(15) H LYS 68 - HG2 GLU 35 far 0 100 0 - 7.1-12.2 H LYS 68 - HG3 GLU 35 far 0 100 0 - 8.0-11.9 H GLU 43 - HG3 GLU 35 far 0 99 0 - 9.0-12.8 H GLU 43 - HG2 GLU 35 far 0 99 0 - 9.5-12.3 H ASP 36 - HG2 GLU 43 far 0 97 0 - 9.9-11.3 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 3 assignments used, quality = 1.00: * H ASP 36 + HA ASP 36 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 68 + HA ASP 65 OK 47 48 100 98 3.3-3.7 7100=54, 7078/3.6=33...(19) H GLU 43 - HA ASP 36 far 0 99 0 - 8.3-9.0 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 - 6.7-8.6 HG3 GLN 72 - HA ASP 65 far 0 29 0 - 7.1-10.5 HG2 MET 74 - HA ASP 36 far 0 90 0 - 8.3-10.8 HG3 GLU 63 - HA ASP 65 far 0 46 0 - 8.5-9.9 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 - 6.7-8.6 HG3 GLN 72 - HA ASP 65 far 0 30 0 - 7.1-10.5 HG2 MET 74 - HA ASP 36 far 0 91 0 - 8.3-10.8 HG3 GLU 63 - HA ASP 65 far 0 46 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (7.74, 4.29, 56.96 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 37 + HA ASP 36 OK 100 100 100 100 3.4-3.6 3.6=100 H LEU 64 - HA ASP 65 far 2 36 5 - 5.0-5.4 H ASN 60 - HA ASP 65 far 0 45 0 - 9.0-9.9 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 4 assignments used, quality = 1.00: H ASP 36 + HB3 ASP 36 OK 95 100 100 95 2.3-3.6 3.6=61, 6563/1.8=37...(14) * H ASP 36 + HB2 ASP 36 OK 95 100 100 95 2.2-2.9 3.6=61, 6564/1.8=37...(14) H GLU 43 - HB3 ASP 36 far 0 99 0 - 9.3-11.1 H LYS 68 - HB2 ASP 61 far 0 94 0 - 9.5-11.0 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 + HB2 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6563=25...(12) HA ASP 36 + HB3 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6564=25...(11) HA ASP 65 - HB2 ASP 61 far 0 77 0 - 6.7-8.6 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 + HB3 ASP 36 OK 97 100 100 98 2.4-4.2 4.0=63, 6565/3.6=49...(16) * H GLU 37 + HB2 ASP 36 OK 97 100 100 97 2.5-4.3 4.0=63, 6565/3.6=49...(15) H LEU 64 - HB2 ASP 61 far 0 77 0 - 5.3-6.1 H ASN 60 - HB2 ASP 61 far 0 91 0 - 6.3-7.5 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 4 assignments used, quality = 1.00: * H ASP 36 + HB3 ASP 36 OK 95 100 100 95 2.3-3.6 3.6=61, 6563/1.8=37...(14) H ASP 36 + HB2 ASP 36 OK 95 100 100 95 2.2-2.9 3.6=61, 6564/1.8=37...(14) H GLU 43 - HB3 ASP 36 far 0 99 0 - 9.3-11.1 H LYS 68 - HB2 ASP 61 far 0 94 0 - 9.5-11.0 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 + HB2 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6563=25...(12) * HA ASP 36 + HB3 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6564=25...(11) HA ASP 65 - HB2 ASP 61 far 0 78 0 - 6.7-8.6 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 + HB3 ASP 36 OK 98 100 100 98 2.4-4.2 4.0=63, 6565/3.6=49...(16) H GLU 37 + HB2 ASP 36 OK 97 100 100 97 2.5-4.3 4.0=63, 6565/3.6=49...(15) H LEU 64 - HB2 ASP 61 far 0 78 0 - 5.3-6.1 H ASN 60 - HB2 ASP 61 far 0 91 0 - 6.3-7.5 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 2.8-2.9 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 3.0-3.0 3.0=100 HB3 GLU 17 + HA LEU 14 OK 21 30 100 72 2.5-3.8 3.0/8478=20, 3.0/8477=17...(12) HB2 GLU 17 - HA LEU 14 far 2 24 10 - 4.0-5.2 HB VAL 32 - HA GLU 37 far 0 63 0 - 6.8-7.3 QE MET 74 - HA GLU 37 far 0 87 0 - 7.1-7.9 HB2 GLU 35 - HA GLU 37 far 0 77 0 - 7.5-8.4 HG3 GLU 88 - HA LEU 14 far 0 25 0 - 8.0-10.8 HB2 GLU 44 - HA GLU 37 far 0 88 0 - 8.2-10.1 HB3 GLU 44 - HA GLU 37 far 0 88 0 - 8.9-11.2 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 2.3-2.5 3.0=100 HG3 GLU 37 + HA GLU 37 OK 95 96 100 99 2.7-3.5 1609=58, 1.8/1602=48...(25) HB2 PRO 86 + HA LEU 14 OK 40 44 100 91 1.9-4.0 2.3/9885=15, 2.3/9887=15...(28) HB3 PRO 86 + HA LEU 14 OK 33 36 100 90 2.0-3.9 2.3/9885=15, 2.3/9887=15...(28) HG2 GLU 44 - HA GLU 37 far 0 99 0 - 7.4-11.3 HB VAL 83 - HA LEU 14 far 0 42 0 - 7.8-8.7 HG2 GLU 88 - HA LEU 14 far 0 40 0 - 9.0-11.3 QE MET 21 - HA LEU 14 far 0 31 0 - 9.9-10.9 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 2.6-3.9 1602=94, 1.8/1609=77...(20) HG2 GLU 17 + HA LEU 14 OK 34 41 100 84 3.4-4.6 1.8/8478=30, 8477=26...(10) 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 2.7-3.5 1609=62, 1.8/1602=48...(26) HB3 GLU 37 + HA GLU 37 OK 96 96 100 100 2.3-2.5 3.0=100 HB3 PRO 86 + HA LEU 14 OK 40 45 100 90 2.0-3.9 2.3/9885=15, 2.3/9887=15...(28) HB2 PRO 86 + HA LEU 14 OK 39 43 100 91 1.9-4.0 2.3/9885=15, 2.3/9887=15...(29) HB2 GLU 16 - HA LEU 14 far 0 25 0 - 5.5-7.2 HB3 LEU 38 - HA GLU 37 far 0 63 0 - 5.6-6.6 HG2 GLU 44 - HA GLU 37 far 0 85 0 - 7.4-11.3 HB VAL 83 - HA LEU 14 far 0 45 0 - 7.8-8.7 HB3 GLU 35 - HA GLU 37 far 0 79 0 - 7.9-8.6 HB3 GLU 88 - HA LEU 14 far 0 27 0 - 8.9-10.3 HG2 GLU 88 - HA LEU 14 far 0 27 0 - 9.0-11.3 QE MET 21 - HA LEU 14 far 0 43 0 - 9.9-10.9 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 2.8-2.9 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 3.2-3.7 6615=100, 6625/1782=61...(16) H GLU 44 - HA GLU 37 far 0 75 0 - 8.3-9.1 Violated in 0 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 1.9-3.8 1782=66, 1.8/1794=60...(22) HB3 LYS 40 + HA GLU 37 OK 62 63 100 97 2.6-3.8 1.8/1782=57, 1794=39...(20) HD3 LYS 20 - HA LEU 14 far 0 31 0 - 7.0-11.4 HD2 LYS 20 - HA LEU 14 far 0 28 0 - 7.2-10.3 HD2 LYS 39 - HA GLU 37 far 0 99 0 - 7.4-9.6 HB3 LEU 6 - HA GLU 37 far 0 100 0 - 7.7-10.2 HD3 LYS 39 - HA GLU 37 far 0 100 0 - 7.8-9.6 HG3 LYS 20 - HA LEU 14 far 0 31 0 - 7.8-11.0 HB3 ARG 91 - HA LEU 14 far 0 24 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1586 from cnoeabs.peaks (1.68, 3.71, 58.70 ppm; 3.23 A): 2 out of 17 assignments used, quality = 1.00: * HB3 LYS 40 + HA GLU 37 OK 99 100 100 99 2.6-3.8 1794=70, 1.8/1782=55...(20) HB2 LYS 40 + HA GLU 37 OK 62 63 100 98 1.9-3.8 1.8/1794=58, 1782=34...(22) HG2 PRO 86 - HA LEU 14 poor 15 43 35 - 3.7-5.1 HD2 LYS 13 - HA LEU 14 far 2 39 5 - 4.1-7.1 HD3 LYS 90 - HA LEU 14 far 0 42 0 - 5.0-9.8 HD3 LYS 13 - HA LEU 14 far 0 38 0 - 5.6-7.9 HG12 ILE 15 - HA LEU 14 far 0 43 0 - 6.9-7.4 HD3 LYS 20 - HA LEU 14 far 0 43 0 - 7.0-11.4 HD2 LYS 20 - HA LEU 14 far 0 44 0 - 7.2-10.3 HD2 LYS 39 - HA GLU 37 far 0 79 0 - 7.4-9.6 HB3 LEU 6 - HA GLU 37 far 0 68 0 - 7.7-10.2 HG3 LYS 20 - HA LEU 14 far 0 43 0 - 7.8-11.0 HD2 LYS 12 - HA LEU 14 far 0 39 0 - 8.4-11.0 HD3 LYS 12 - HA LEU 14 far 0 39 0 - 8.5-11.0 HG LEU 70 - HA GLU 37 far 0 96 0 - 8.6-11.7 HB3 LEU 70 - HA GLU 37 far 0 73 0 - 8.6-10.8 HB3 ARG 91 - HA LEU 14 far 0 45 0 - 10.0-12.6 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 2.4-2.8 6572=100, 1594/1.8=79...(19) 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 3.0-3.0 3.0=100 HA LEU 42 - HB2 GLU 37 far 0 100 0 - 9.5-10.3 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 2.3-2.7 3.0=80, 1609/3.0=30...(15) HG2 GLU 44 - HB2 GLU 37 far 0 99 0 - 9.4-12.5 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 2 assignments used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 63 - HB2 GLU 37 far 0 63 0 - 9.4-12.8 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 2.3-2.7 3.0=80, 1609/3.0=32...(17) 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 - 4.0-5.5 HB3 GLU 35 - HB2 GLU 37 far 0 79 0 - 6.9-7.6 HG2 GLU 44 - HB2 GLU 37 far 0 85 0 - 9.4-12.5 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 2.2-2.6 6581=100, 1600/1.8=77...(16) Violated in 0 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 3.6-3.6 6572/1.8=83, 4.1=77...(19) 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 2.3-2.5 3.0=100 HA LEU 42 - HB3 GLU 37 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1596 from cnoeabs.peaks (1.98, 2.13, 30.20 ppm; 2.94 A): 1 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 far 0 63 0 - 4.5-5.6 QE MET 74 - HB3 GLU 37 far 0 87 0 - 8.5-9.1 HB2 GLU 35 - HB3 GLU 37 far 0 77 0 - 8.5-9.1 HB2 GLU 44 - HB3 GLU 37 far 0 88 0 - 9.0-10.9 HB3 GLU 44 - HB3 GLU 37 far 0 88 0 - 9.8-12.1 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 1 assignment used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.4-2.7 3.0=100 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 3.3-3.9 6581/1.8=90, 4.6=75...(13) Violated in 0 structures by 0.00 A. Peak 1601 from cnoeabs.peaks (7.74, 2.26, 36.95 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.7-3.5 6574=100, 1608/1.8=69...(17) H LEU 64 - HG2 GLU 62 far 0 56 0 - 5.1-6.7 H LEU 64 - HG3 GLU 62 far 0 56 0 - 5.2-7.2 H ASN 60 - HG2 GLU 62 far 0 69 0 - 6.7-8.9 H ASN 60 - HG3 GLU 62 far 0 69 0 - 7.1-9.1 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 1 assignment used, quality = 1.00: * HA GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.6-3.9 3.9=95, 1609/1.8=80...(20) Violated in 12 structures by 0.02 A. Peak 1603 from cnoeabs.peaks (1.98, 2.26, 36.95 ppm; 3.28 A): 3 out of 8 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 2.2-3.0 2.9=100 HB2 GLU 62 + HG3 GLU 62 OK 37 37 100 100 2.3-3.0 2.9=100 HB VAL 32 - HG2 GLU 37 far 0 63 0 - 5.0-7.1 HB2 GLU 35 - HG3 GLU 62 far 0 48 0 - 6.5-12.5 HB2 GLU 35 - HG2 GLU 62 far 0 48 0 - 7.3-11.0 HB2 GLU 35 - HG2 GLU 37 far 0 77 0 - 7.8-8.8 QE MET 74 - HG2 GLU 37 far 0 87 0 - 9.2-10.7 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 12 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 93 100 100 93 2.4-2.7 3.0=57, 3.0/1602=22...(16) HB3 GLU 62 + HG3 GLU 62 OK 30 39 100 78 2.3-3.0 2.9=62, 3.0/2728=13...(9) HB3 GLU 62 + HG2 GLU 62 OK 30 39 100 78 2.4-3.0 2.9=62, 3.0/2728=13...(9) HB2 LEU 64 - HG3 GLU 62 far 0 67 0 - 6.7-8.2 HB2 LEU 64 - HG2 GLU 62 far 0 67 0 - 7.0-8.5 HG2 GLU 69 - HG3 GLU 62 far 0 72 0 - 7.1-10.0 HG2 GLU 69 - HG2 GLU 62 far 0 72 0 - 7.1-10.7 HB2 GLU 69 - HG3 GLU 62 far 0 72 0 - 7.8-10.6 HB2 GLU 69 - HG2 GLU 62 far 0 72 0 - 7.9-10.4 HB3 GLU 69 - HG3 GLU 62 far 0 72 0 - 9.1-11.7 HB3 GLU 69 - HG2 GLU 62 far 0 72 0 - 9.2-12.0 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 18 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 2.4-2.7 3.0=57, 3.0/1602=22...(16) HB3 GLU 62 + HG3 GLU 62 OK 47 60 100 79 2.3-3.0 2.9=62, 3.0/2728=13...(9) HB3 GLU 62 + HG2 GLU 62 OK 47 60 100 79 2.4-3.0 2.9=62, 3.0/2728=13...(9) HB3 LEU 38 - HG2 GLU 37 far 0 63 0 - 6.2-8.0 HB2 LEU 64 - HG3 GLU 62 far 0 72 0 - 6.7-8.2 HB3 GLU 35 - HG2 GLU 62 far 0 50 0 - 6.9-10.3 HB2 LEU 64 - HG2 GLU 62 far 0 72 0 - 7.0-8.5 HB3 GLU 35 - HG3 GLU 62 far 0 50 0 - 7.0-11.4 HG2 GLU 69 - HG3 GLU 62 far 0 64 0 - 7.1-10.0 HG2 GLU 69 - HG2 GLU 62 far 0 64 0 - 7.1-10.7 HB2 GLU 69 - HG3 GLU 62 far 0 64 0 - 7.8-10.6 HB2 GLU 69 - HG2 GLU 62 far 0 64 0 - 7.9-10.4 HB3 GLU 35 - HG2 GLU 37 far 0 79 0 - 8.1-9.0 HB3 GLU 69 - HG3 GLU 62 far 0 64 0 - 9.1-11.7 HB3 GLU 69 - HG2 GLU 62 far 0 64 0 - 9.2-12.0 HB3 LEU 38 - HG3 GLU 62 far 0 39 0 - 9.2-14.2 HB3 LEU 38 - HG2 GLU 62 far 0 39 0 - 10.0-13.3 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 1 assignment used, quality = 1.00: * H LEU 38 + HG2 GLU 37 OK 100 100 100 100 4.4-4.7 6583=100, 1614/1.8=90...(12) Violated in 0 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 1.9-2.5 6574/1.8=87, 6572/3.0=69...(24) 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 1 assignment used, quality = 1.00: * HA GLU 37 + HG3 GLU 37 OK 100 100 100 100 2.7-3.5 3.9=81, 1602/1.8=67...(28) Violated in 0 structures by 0.00 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 2.3-2.7 3.0=100 HB VAL 32 - HG3 GLU 37 far 0 63 0 - 5.8-6.9 HB2 GLU 35 - HG3 GLU 37 far 0 77 0 - 6.2-7.4 QE MET 74 - HG3 GLU 37 far 0 87 0 - 9.2-9.9 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 3.6-4.4 6581/3.0=76, 6583/1.8=73...(20) 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 2.3-3.0 3.0=100 HG LEU 38 + HA LEU 38 OK 99 100 100 99 2.9-3.7 3.7=78, 2.1/1659=45...(26) HG3 LYS 39 - HA LEU 38 far 0 97 0 - 5.9-7.1 HD3 LYS 40 - HA LEU 38 far 0 99 0 - 6.7-8.7 HD2 LYS 40 - HA LEU 38 far 0 99 0 - 7.1-9.2 HG3 LYS 66 - HA LEU 38 far 0 61 0 - 9.4-12.4 HG LEU 29 - HA LEU 38 far 0 92 0 - 9.8-10.8 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 2.4-3.0 3.0=100 HG3 GLU 37 - HA LEU 38 far 0 63 0 - 5.9-6.5 HB3 GLU 35 - HA LEU 38 far 0 99 0 - 6.8-8.4 HB3 GLU 43 - HA LEU 38 far 0 99 0 - 8.3-9.1 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 2.3-3.0 3.0=100 * HG LEU 38 + HA LEU 38 OK 99 100 100 99 2.9-3.7 3.7=78, 2.1/1659=45...(26) HG3 LYS 39 - HA LEU 38 far 0 94 0 - 5.9-7.1 HD3 LYS 40 - HA LEU 38 far 0 100 0 - 6.7-8.7 HD2 LYS 40 - HA LEU 38 far 0 100 0 - 7.1-9.2 HG3 LYS 66 - HA LEU 38 far 0 70 0 - 9.4-12.4 HG LEU 29 - HA LEU 38 far 0 87 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1620 from cnoeabs.peaks (0.82, 3.87, 58.30 ppm; 3.07 A): 3 out of 10 assignments used, quality = 0.99: QG2 VAL 32 + HA LEU 38 OK 93 99 100 94 2.0-3.1 10162=55, 2.1/8934=33...(17) * QD2 LEU 38 + HA LEU 38 OK 73 100 75 97 1.9-4.1 3.8=51, 2.1/1659=38...(27) QD1 LEU 38 + HA LEU 38 OK 58 61 100 95 2.2-4.0 3.8=51, 2.1/1619=27...(24) QD1 LEU 70 - HA LEU 38 far 0 100 0 - 4.2-6.7 QD2 LEU 70 - HA LEU 38 far 0 96 0 - 5.5-7.9 QG2 ILE 8 - HA LEU 38 far 0 65 0 - 6.5-7.3 QD1 ILE 76 - HA LEU 38 far 0 90 0 - 7.1-8.4 QG2 ILE 7 - HA LEU 38 far 0 87 0 - 7.6-8.4 QD2 LEU 57 - HA LEU 38 far 0 82 0 - 8.6-9.9 QD1 LEU 57 - HA LEU 38 far 0 100 0 - 9.7-11.7 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 6 assignments used, quality = 0.99: * QD1 LEU 38 + HA LEU 38 OK 93 100 95 98 2.2-4.0 1659=55, 1658/2.9=26...(26) QG2 VAL 32 + HA LEU 38 OK 70 79 100 89 2.0-3.1 10162=36, 2.1/8934=31...(17) QD2 LEU 38 + HA LEU 38 OK 38 61 65 95 1.9-4.1 3.8=47, 2.1/1659=36...(23) HG13 ILE 8 - HA LEU 38 far 0 82 0 - 5.4-6.7 QG2 ILE 76 - HA LEU 38 far 0 88 0 - 7.9-9.6 QD1 LEU 57 - HA LEU 38 far 0 71 0 - 9.7-11.7 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 3.5-3.6 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 3.5-4.1 6656/1890=65...(17) HE ARG 30 - HA LEU 38 far 0 70 0 - 7.8-11.4 H SER 9 - HA LEU 38 far 0 98 0 - 9.4-10.7 H LYS 66 - HA LEU 38 far 0 91 0 - 9.9-12.4 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 4 assignments used, quality = 1.00: * HB2 TYR 41 + HA LEU 38 OK 100 100 100 100 3.3-4.7 1882=100, 1.8/1890=79...(14) HG3 GLU 43 - HA LEU 38 far 0 99 0 - 7.5-9.8 HG3 GLU 44 - HA LEU 38 far 0 59 0 - 8.2-11.7 HB2 TYR 4 - HA LEU 38 far 0 88 0 - 8.8-10.0 Violated in 4 structures by 0.01 A. Peak 1625 from cnoeabs.peaks (2.64, 3.87, 58.30 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.75: * HB3 TYR 41 + HA LEU 38 OK 75 100 75 100 2.9-5.7 1890=100, 1.8/1882=82...(18) HD2 ARG 30 - HA LEU 38 far 0 68 0 - 7.4-9.9 HG3 MET 74 - HA LEU 38 far 0 96 0 - 7.6-11.4 Violated in 15 structures by 0.59 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 2.1-3.6 3.8=97, 1634/1.8=76...(29) 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 2.3-3.0 3.0=100 HA GLU 35 + HB2 LEU 38 OK 75 98 80 97 2.3-5.3 12057/1626=41...(24) HA ALA 67 + HB2 LEU 38 OK 40 92 65 67 3.5-6.3 1659/3.1=24, 9524/3.1=15...(15) HA ALA 71 - HB2 LEU 38 far 0 81 0 - 6.0-9.2 HA LYS 40 - HB2 LEU 38 far 0 99 0 - 7.2-8.4 HA GLU 63 - HB2 LEU 38 far 0 57 0 - 7.2-9.3 HA GLU 43 - HB2 LEU 38 far 0 99 0 - 9.7-11.4 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): 1 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 far 10 99 10 - 4.1-7.4 HG3 GLU 37 - HB2 LEU 38 far 0 63 0 - 5.4-7.9 HB2 MET 74 - HB2 LEU 38 far 0 99 0 - 8.6-11.6 HB3 GLU 43 - HB2 LEU 38 far 0 99 0 - 9.4-11.0 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): 4 out of 11 assignments used, quality = 1.00: * QD2 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 38 + HB2 LEU 38 OK 61 61 100 100 2.0-3.2 3.1=100 QG2 VAL 32 + HB2 LEU 38 OK 59 99 65 92 2.1-4.9 10162/3.0=45...(20) QD1 LEU 70 + HB2 LEU 38 OK 44 100 70 63 1.9-5.2 6601/1633=13...(16) QD2 LEU 70 - HB2 LEU 38 far 10 96 10 - 3.7-6.6 QG2 ILE 8 - HB2 LEU 38 far 0 65 0 - 4.8-7.0 QD1 ILE 76 - HB2 LEU 38 far 0 90 0 - 6.9-9.5 QG2 ILE 7 - HB2 LEU 38 far 0 87 0 - 7.2-10.1 QD2 LEU 57 - HB2 LEU 38 far 0 82 0 - 8.2-11.1 QD1 LEU 57 - HB2 LEU 38 far 0 100 0 - 9.2-12.7 QG2 ILE 15 - HB2 LEU 38 far 0 98 0 - 9.9-12.9 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 7 assignments used, quality = 1.00: * QD1 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 38 + HB2 LEU 38 OK 61 61 100 100 2.0-3.2 3.1=100 QG2 VAL 32 + HB2 LEU 38 OK 54 79 75 92 2.1-4.9 2.1/8944=36...(19) HG13 ILE 8 - HB2 LEU 38 far 4 82 5 - 3.5-7.3 QG2 ILE 76 - HB2 LEU 38 far 0 88 0 - 7.6-11.1 HG13 ILE 7 - HB2 LEU 38 far 0 71 0 - 9.0-12.6 QD1 LEU 57 - HB2 LEU 38 far 0 71 0 - 9.2-12.7 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 2.4-4.0 6599/1.8=93, 4.6=81...(19) 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 1 assignment used, quality = 1.00: * H LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.1-3.6 3.8=93, 1626/1.8=72...(23) 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 2.4-3.0 3.0=100 HA GLU 35 + HB3 LEU 38 OK 71 98 80 91 2.6-5.1 12057/1634=39...(18) HA ALA 67 + HB3 LEU 38 OK 26 92 40 69 3.6-6.3 1659/3.1=23, 9524/3.1=15...(16) HA ALA 71 - HB3 LEU 38 far 0 81 0 - 5.9-9.2 HA GLU 63 - HB3 LEU 38 far 0 57 0 - 6.8-9.1 HA LYS 40 - HB3 LEU 38 far 0 99 0 - 7.3-8.6 HA GLU 43 - HB3 LEU 38 far 0 99 0 - 9.5-11.7 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 10 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 2.3-3.0 3.0=100 HG3 LYS 39 - HB3 LEU 38 poor 12 97 25 51 3.6-8.0 1713/6599=27...(9) HG3 LYS 66 - HB3 LEU 38 far 0 61 0 - 7.2-10.2 HG2 LYS 66 - HB3 LEU 38 far 0 65 0 - 7.9-10.8 HD3 LYS 40 - HB3 LEU 38 far 0 99 0 - 8.1-10.7 HG2 LYS 73 - HB3 LEU 38 far 0 63 0 - 8.2-12.9 HD2 LYS 40 - HB3 LEU 38 far 0 99 0 - 8.5-10.8 HG12 ILE 7 - HB3 LEU 38 far 0 75 0 - 9.7-12.5 HG13 ILE 76 - HB3 LEU 38 far 0 93 0 - 9.8-13.8 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 10 assignments used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.3-3.0 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 3.6-8.0 1713/6599=26...(9) HG3 LYS 66 - HB3 LEU 38 far 0 70 0 - 7.2-10.2 HG2 LYS 66 - HB3 LEU 38 far 0 73 0 - 7.9-10.8 HD3 LYS 40 - HB3 LEU 38 far 0 100 0 - 8.1-10.7 HG2 LYS 73 - HB3 LEU 38 far 0 71 0 - 8.2-12.9 HD2 LYS 40 - HB3 LEU 38 far 0 100 0 - 8.5-10.8 HG12 ILE 7 - HB3 LEU 38 far 0 68 0 - 9.7-12.5 HG13 ILE 76 - HB3 LEU 38 far 0 88 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (0.82, 2.07, 40.84 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: * QD2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 38 + HB3 LEU 38 OK 61 61 100 100 2.0-3.2 3.1=100 QG2 VAL 32 + HB3 LEU 38 OK 50 99 55 91 2.0-4.7 10162/3.0=45...(16) QD1 LEU 70 + HB3 LEU 38 OK 45 100 80 57 1.9-5.8 6601/6599=16, 1653=13...(10) QD2 LEU 70 - HB3 LEU 38 poor 19 96 20 - 3.1-6.7 QG2 ILE 8 - HB3 LEU 38 far 0 65 0 - 5.1-7.2 QD1 ILE 76 - HB3 LEU 38 far 0 90 0 - 6.8-9.7 QG2 ILE 7 - HB3 LEU 38 far 0 87 0 - 7.4-10.1 QD2 LEU 57 - HB3 LEU 38 far 0 82 0 - 8.3-10.9 QD1 LEU 57 - HB3 LEU 38 far 0 100 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (0.86, 2.07, 40.84 ppm; 3.50 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 38 + HB3 LEU 38 OK 61 61 100 100 2.0-3.2 3.1=100 QG2 VAL 32 + HB3 LEU 38 OK 47 79 65 92 2.0-4.7 10162/3.0=36...(16) HG13 ILE 8 - HB3 LEU 38 far 12 82 15 - 3.8-7.4 QG2 ILE 76 - HB3 LEU 38 far 0 88 0 - 8.1-11.1 HG13 ILE 7 - HB3 LEU 38 far 0 71 0 - 9.3-12.6 QD1 LEU 57 - HB3 LEU 38 far 0 71 0 - 9.7-12.4 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 1 assignment used, quality = 1.00: * H LYS 39 + HB3 LEU 38 OK 100 100 100 100 2.3-3.9 6599=100, 1633/1.8=69...(16) 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 5 assignments used, quality = 1.00: * H LEU 38 + HG LEU 38 OK 100 100 100 100 1.9-4.6 1634/3.0=68, 1626/3.0=67...(27) H ILE 52 + HG13 ILE 52 OK 48 50 100 96 4.3-4.7 5.1=55, 6862/1.8=41...(10) H ILE 76 + HG13 ILE 76 OK 39 39 100 100 2.1-4.2 4.5=77, 7256/1.8=65...(14) H ILE 52 - HG13 ILE 76 far 0 28 0 - 7.6-10.8 H ILE 76 - HG13 ILE 52 far 0 68 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 1643 from cnoeabs.peaks (3.87, 1.46, 27.00 ppm; 3.76 A): 4 out of 27 assignments used, quality = 1.00: * HA LEU 38 + HG LEU 38 OK 100 100 100 100 2.9-3.7 3.7=100 HA GLU 35 + HG LEU 38 OK 91 98 100 94 2.4-4.4 10168/2.1=37...(24) HA ARG 91 + HG3 ARG 91 OK 83 83 100 100 2.9-3.8 4.0=84, 4016/1.8=67...(25) HA ALA 67 + HG LEU 38 OK 41 92 60 73 2.0-6.7 1659/2.1=31, 9524/2.1=20...(14) HB3 SER 49 - HG13 ILE 76 far 8 51 15 - 4.2-8.5 HA ALA 71 - HG13 ILE 76 far 4 40 10 - 4.0-6.9 HA ALA 89 - HG3 ARG 91 far 3 67 5 - 4.6-7.9 HA GLU 43 - HG13 ILE 76 far 3 56 5 - 4.6-6.3 HA GLU 63 - HG LEU 38 far 0 57 0 - 6.0-9.1 HA ALA 71 - HG LEU 38 far 0 81 0 - 6.2-9.7 HA GLU 63 - HG LEU 64 far 0 39 0 - 6.7-7.0 HB3 SER 49 - HG13 ILE 52 far 0 84 0 - 6.8-8.3 HA LYS 40 - HG LEU 38 far 0 99 0 - 7.0-9.6 HA LYS 94 - HG3 ARG 91 far 0 87 0 - 7.1-9.3 HA ALA 67 - HG LEU 64 far 0 69 0 - 7.3-7.7 HB2 SER 85 - HG3 ARG 91 far 0 64 0 - 7.3-10.4 HB2 SER 102 - HG3 ARG 91 far 0 77 0 - 8.8-20.4 HA ALA 89 - HG LEU 29 far 0 53 0 - 8.8-9.7 HA GLU 43 - HG13 ILE 52 far 0 90 0 - 9.0-11.2 HA2 GLY 101 - HG13 ILE 52 far 0 91 0 - 9.2-14.7 HA3 GLY 101 - HG13 ILE 52 far 0 82 0 - 9.7-14.4 HA LEU 38 - HG LEU 29 far 0 73 0 - 9.8-10.8 HA GLU 43 - HG LEU 38 far 0 99 0 - 9.8-11.9 HA ALA 71 - HG13 ILE 52 far 0 70 0 - 9.9-12.3 HA LYS 12 - HG LEU 29 far 0 63 0 - 10.0-11.5 HA2 GLY 100 - HG13 ILE 52 far 0 91 0 - 10.0-12.7 HA LYS 40 - HG13 ILE 76 far 0 56 0 - 10.0-11.5 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 29 assignments used, quality = 1.00: * HB3 LEU 38 + HG LEU 38 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 48 + HG13 ILE 52 OK 62 74 85 99 3.8-4.9 9041/2.1=46, ~9040=35...(19) HB2 MET 74 + HG13 ILE 76 OK 54 55 100 98 2.0-4.4 9664/1.8=35, 9645/4.5=30...(23) HB3 GLU 88 - HG3 ARG 91 far 9 88 10 - 4.4-6.8 HB3 GLU 35 - HG LEU 38 far 5 99 5 - 4.1-5.7 HG12 ILE 93 - HG LEU 29 far 0 42 0 - 4.7-6.9 HG3 GLU 37 - HG LEU 38 far 0 63 0 - 4.8-8.3 HG2 GLU 28 - HG LEU 29 far 0 71 0 - 6.0-9.2 HG3 GLU 28 - HG LEU 29 far 0 71 0 - 6.0-9.5 QE MET 21 - HG3 ARG 91 far 0 69 0 - 6.6-8.5 HG12 ILE 93 - HG3 ARG 91 far 0 54 0 - 7.3-10.7 HB2 MET 21 - HG LEU 29 far 0 60 0 - 7.3-9.3 HG3 GLU 28 - HG13 ILE 52 far 0 90 0 - 7.4-10.9 HB3 GLU 43 - HG13 ILE 76 far 0 56 0 - 7.6-9.2 HB2 MET 21 - HG3 ARG 91 far 0 74 0 - 7.6-11.4 HB3 PRO 86 - HG3 ARG 91 far 0 59 0 - 7.8-12.8 HB3 GLU 48 - HG13 ILE 76 far 0 43 0 - 7.9-11.2 HB3 GLU 62 - HG LEU 64 far 0 73 0 - 8.0-8.9 QE MET 21 - HG LEU 29 far 0 55 0 - 8.3-9.7 HG2 GLU 28 - HG13 ILE 52 far 0 90 0 - 8.4-10.5 HB2 GLU 98 - HG3 ARG 91 far 0 66 0 - 8.8-13.7 HB2 MET 74 - HG LEU 38 far 0 99 0 - 9.1-12.1 HG3 GLU 104 - HG LEU 64 far 0 62 0 - 9.2-27.9 HB3 GLU 43 - HG LEU 38 far 0 99 0 - 9.3-11.8 HB2 GLU 99 - HG3 ARG 91 far 0 64 0 - 9.4-16.8 HB2 GLU 16 - HG LEU 29 far 0 73 0 - 9.7-10.9 HB3 LEU 38 - HG13 ILE 76 far 0 58 0 - 9.8-13.8 HB2 GLU 23 - HG LEU 29 far 0 68 0 - 9.8-11.4 HB3 GLU 98 - HG3 ARG 91 far 0 64 0 - 10.0-14.0 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): 6 out of 40 assignments used, quality = 1.00: * QD2 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 2 + HG13 ILE 52 OK 82 87 95 99 1.9-4.6 12040=85, 2.1/12039=60...(17) 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 QD1 LEU 70 + HG LEU 38 OK 42 100 90 46 2.0-6.2 ~12070=10, 1639/3.0=9...(12) QG2 VAL 32 + HG LEU 38 OK 26 99 30 87 2.5-4.9 10162/3.7=36...(16) QG2 ILE 7 - HG LEU 29 poor 17 57 40 72 3.9-4.4 10501/2.1=25, ~10141=18...(9) QG2 ILE 15 - HG LEU 29 far 0 68 0 - 4.4-6.0 QD2 LEU 70 - HG LEU 38 far 0 96 0 - 4.5-7.3 QD2 LEU 57 - HG LEU 29 far 0 53 0 - 4.7-6.9 QG2 ILE 8 - HG LEU 38 far 0 65 0 - 4.8-7.4 QD1 LEU 57 - HG3 ARG 91 far 0 88 0 - 5.6-9.4 QD1 ILE 76 - HG13 ILE 52 far 0 78 0 - 6.1-8.4 QG2 VAL 32 - HG LEU 29 far 0 71 0 - 6.3-7.1 QD2 LEU 57 - HG3 ARG 91 far 0 67 0 - 6.7-9.9 QD1 LEU 57 - HG LEU 29 far 0 73 0 - 7.3-8.4 QD1 LEU 38 - HG13 ILE 76 far 0 29 0 - 7.3-11.2 QD2 LEU 70 - HG13 ILE 76 far 0 52 0 - 7.4-10.2 QD1 ILE 76 - HG LEU 38 far 0 90 0 - 7.6-9.3 QD2 LEU 38 - HG LEU 29 far 0 73 0 - 7.7-11.1 QG2 ILE 7 - HG LEU 38 far 0 87 0 - 7.7-10.2 QD2 LEU 38 - HG LEU 64 far 0 81 0 - 7.9-9.6 QD1 LEU 70 - HG LEU 64 far 0 79 0 - 8.0-10.8 QD1 LEU 38 - HG LEU 29 far 0 38 0 - 8.2-11.5 QD2 LEU 2 - HG13 ILE 76 far 0 53 0 - 8.2-11.2 QD1 LEU 57 - HG LEU 64 far 0 80 0 - 8.2-9.4 QD2 LEU 57 - HG LEU 38 far 0 82 0 - 8.2-10.9 QD1 LEU 38 - HG LEU 64 far 0 43 0 - 8.3-10.1 QG2 ILE 8 - HG LEU 64 far 0 46 0 - 8.4-9.7 QD2 LEU 57 - HG LEU 64 far 0 60 0 - 8.4-10.4 QD2 LEU 70 - HG LEU 64 far 0 74 0 - 8.4-10.5 QD1 LEU 70 - HG13 ILE 76 far 0 57 0 - 8.4-10.8 QD1 LEU 57 - HG LEU 38 far 0 100 0 - 8.7-12.6 QD1 LEU 38 - HG13 ILE 52 far 0 52 0 - 8.9-13.6 QD2 LEU 103 - HG13 ILE 52 far 0 92 0 - 9.1-16.5 QG2 ILE 8 - HG LEU 29 far 0 41 0 - 9.5-9.9 QD2 LEU 103 - HG13 ILE 76 far 0 57 0 - 9.5-19.5 QD2 LEU 38 - HG13 ILE 76 far 0 58 0 - 9.7-12.2 QD2 LEU 103 - HG3 ARG 91 far 0 89 0 - 9.9-20.7 QD2 LEU 103 - HG LEU 64 far 0 80 0 - 10.0-20.4 Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (0.86, 1.46, 27.00 ppm; 3.42 A): 6 out of 32 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 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 2.3-3.2 3.2=100 QG2 VAL 32 + HG LEU 38 OK 41 79 60 87 2.5-4.9 2.1/8944=36...(15) QD1 LEU 2 + HG13 ILE 52 OK 39 78 50 100 2.3-5.9 12039=85, 2.1/12040=66...(19) HG13 ILE 8 - HG LEU 38 far 8 82 10 - 4.0-7.0 QG2 ILE 76 - HG13 ILE 52 far 8 77 10 - 4.1-6.2 QD1 LEU 57 - HG3 ARG 91 far 0 57 0 - 5.6-9.4 QG2 VAL 32 - HG LEU 29 far 0 51 0 - 6.3-7.1 HG13 ILE 7 - HG LEU 29 far 0 45 0 - 6.8-7.5 QD1 LEU 57 - HG LEU 29 far 0 45 0 - 7.3-8.4 QD1 LEU 38 - HG13 ILE 76 far 0 58 0 - 7.3-11.2 QD2 LEU 38 - HG LEU 29 far 0 38 0 - 7.7-11.1 QD2 LEU 38 - HG LEU 64 far 0 43 0 - 7.9-9.6 QD1 LEU 38 - HG LEU 29 far 0 73 0 - 8.2-11.5 QD1 LEU 57 - HG LEU 64 far 0 50 0 - 8.2-9.4 QD1 LEU 38 - HG LEU 64 far 0 81 0 - 8.3-10.1 HG13 ILE 8 - HG LEU 29 far 0 53 0 - 8.5-10.5 QD1 LEU 57 - HG LEU 38 far 0 71 0 - 8.7-12.6 QD1 LEU 2 - HG13 ILE 76 far 0 46 0 - 8.7-12.4 QG2 ILE 76 - HG LEU 38 far 0 88 0 - 8.8-10.9 QD1 LEU 38 - HG13 ILE 52 far 0 93 0 - 8.9-13.6 QD2 LEU 103 - HG13 ILE 52 far 0 59 0 - 9.1-16.5 QD2 LEU 64 - HG LEU 38 far 0 100 0 - 9.2-12.8 HG13 ILE 8 - HG LEU 64 far 0 60 0 - 9.4-11.6 QD2 LEU 103 - HG13 ILE 76 far 0 33 0 - 9.5-19.5 QD2 LEU 38 - HG13 ILE 76 far 0 29 0 - 9.7-12.2 HG13 ILE 7 - HG LEU 38 far 0 71 0 - 9.8-13.1 QD1 LEU 103 - HG3 ARG 91 far 0 89 0 - 9.8-20.2 QD2 LEU 103 - HG3 ARG 91 far 0 56 0 - 9.9-20.7 QD2 LEU 103 - HG LEU 64 far 0 49 0 - 10.0-20.4 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 7 assignments used, quality = 1.00: * H LYS 39 + HG LEU 38 OK 100 100 100 100 1.8-5.0 6599/3.0=96, 1633/3.0=87...(18) H GLU 75 + HG13 ILE 76 OK 55 57 100 97 3.9-5.8 7247/4.5=77, 4.0/9888=63...(11) H LYS 90 + HG3 ARG 91 OK 20 50 50 80 4.3-7.5 7431/4.8=49...(11) H ILE 15 - HG LEU 29 far 0 71 0 - 8.7-9.9 H GLU 17 - HG LEU 29 far 0 62 0 - 9.2-10.0 H LYS 90 - HG LEU 29 far 0 39 0 - 9.6-11.1 H LYS 39 - HG13 ILE 76 far 0 58 0 - 9.8-12.1 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 6 assignments used, quality = 1.00: * H LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.8-3.5 4.5=100 H LEU 38 + QD1 LEU 70 OK 62 67 100 92 3.8-6.2 6591/6601=37...(12) H ILE 76 - QD1 LEU 70 far 0 46 0 - 7.7-9.3 H LEU 14 - QD2 LEU 57 far 0 53 0 - 9.7-11.2 H ILE 76 - QD2 LEU 38 far 0 79 0 - 9.7-11.4 H LEU 38 - QD2 LEU 57 far 0 64 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (3.87, 0.82, 25.55 ppm; 3.24 A): 5 out of 24 assignments used, quality = 1.00: * HA LEU 38 + QD2 LEU 38 OK 99 100 100 99 1.9-4.1 3.8=60, 1659/2.1=42...(26) HA ALA 67 + QD2 LEU 38 OK 60 92 85 77 2.6-4.5 2.1/9526=28, 1659/2.1=25...(14) HA GLU 35 + QD1 LEU 70 OK 48 62 90 85 2.0-5.1 10609=26, 9541/2.1=20...(22) HA ALA 67 + QD1 LEU 70 OK 45 56 90 88 1.9-5.7 9524=30, 7140/4.6=22...(15) HA GLU 35 + QD2 LEU 38 OK 33 98 40 84 1.9-4.7 10168/2.1=28...(16) HA ALA 89 - QD2 LEU 57 poor 16 46 35 - 4.0-4.7 HA LEU 38 - QD1 LEU 70 far 0 67 0 - 4.2-6.7 HA GLU 63 - QD2 LEU 38 far 0 57 0 - 4.3-6.8 HA ALA 71 - QD1 LEU 70 far 0 47 0 - 5.0-5.8 HA GLU 63 - QD1 LEU 70 far 0 31 0 - 5.4-8.6 HA ALA 71 - QD2 LEU 38 far 0 81 0 - 6.1-8.2 HA LYS 40 - QD1 LEU 70 far 0 65 0 - 6.7-8.4 HA LYS 40 - QD2 LEU 38 far 0 99 0 - 7.7-8.2 HB2 SER 102 - QD2 LEU 57 far 0 54 0 - 7.7-14.3 HA ARG 91 - QD2 LEU 57 far 0 59 0 - 8.0-9.1 HA LYS 94 - QD2 LEU 57 far 0 62 0 - 8.1-9.2 HA GLU 43 - QD1 LEU 70 far 0 65 0 - 8.2-10.0 HA LEU 38 - QD2 LEU 57 far 0 64 0 - 8.6-9.9 HA ALA 67 - QD2 LEU 57 far 0 54 0 - 8.6-9.4 HA2 GLY 101 - QD2 LEU 57 far 0 62 0 - 8.7-15.0 HA GLU 43 - QD2 LEU 38 far 0 99 0 - 9.5-10.7 HB2 SER 85 - QD2 LEU 57 far 0 44 0 - 9.7-10.7 HA3 GLY 101 - QD2 LEU 57 far 0 55 0 - 9.7-14.9 HA GLU 63 - QD2 LEU 57 far 0 30 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 1652 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 3.02 A): 5 out of 38 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 2.0-3.2 3.1=90, 1660/2.1=31...(20) HG3 LYS 39 + QD1 LEU 70 OK 44 62 85 83 1.9-4.5 1.8/10569=20, ~10569=16...(20) HB2 LEU 38 + QD1 LEU 70 OK 25 67 65 56 1.9-5.2 1631=12, 1.8/1639=10...(15) HG LEU 38 + QD1 LEU 70 OK 21 67 80 39 2.0-6.2 1647=9, ~12070=9...(9) HG12 ILE 7 - QD2 LEU 57 poor 18 41 50 90 3.2-4.9 8284/3.1=18, ~8285=16...(21) HG3 LYS 39 - QD2 LEU 38 far 5 97 5 - 3.9-7.2 HG3 LYS 66 - QD1 LEU 70 far 3 34 10 - 2.7-6.8 HG2 LYS 66 - QD1 LEU 70 far 2 37 5 - 3.3-7.5 HG3 LYS 66 - QD2 LEU 38 far 0 61 0 - 4.1-8.3 HG2 LYS 73 - QD1 LEU 70 far 0 35 0 - 4.4-7.3 HG LEU 29 - QD2 LEU 57 far 0 54 0 - 4.7-6.9 HG2 LYS 66 - QD2 LEU 38 far 0 65 0 - 5.1-8.7 QB ALA 22 - QD2 LEU 57 far 0 54 0 - 5.2-7.2 HB3 LEU 64 - QD2 LEU 57 far 0 36 0 - 6.4-8.4 HG12 ILE 7 - QD2 LEU 38 far 0 75 0 - 6.6-9.7 HG3 ARG 91 - QD2 LEU 57 far 0 64 0 - 6.7-9.9 HB3 LEU 64 - QD2 LEU 38 far 0 68 0 - 7.1-8.7 HB2 LEU 27 - QD2 LEU 57 far 0 64 0 - 7.3-9.1 HD3 LYS 40 - QD2 LEU 38 far 0 99 0 - 7.5-9.9 HB2 ARG 91 - QD2 LEU 57 far 0 41 0 - 7.5-9.9 HG LEU 29 - QD2 LEU 38 far 0 92 0 - 7.7-11.1 HD2 LYS 40 - QD2 LEU 38 far 0 99 0 - 7.8-10.2 HG LEU 64 - QD2 LEU 38 far 0 85 0 - 7.9-9.6 HG LEU 64 - QD1 LEU 70 far 0 51 0 - 8.0-10.8 HG2 LYS 73 - QD2 LEU 38 far 0 63 0 - 8.1-11.4 HB2 LEU 38 - QD2 LEU 57 far 0 64 0 - 8.2-11.1 HG LEU 38 - QD2 LEU 57 far 0 64 0 - 8.2-10.9 HB3 LEU 64 - QD1 LEU 70 far 0 38 0 - 8.3-11.6 HG LEU 64 - QD2 LEU 57 far 0 48 0 - 8.4-10.4 HG13 ILE 76 - QD1 LEU 70 far 0 57 0 - 8.4-10.8 HD3 LYS 40 - QD1 LEU 70 far 0 64 0 - 8.5-11.2 HD2 LYS 40 - QD1 LEU 70 far 0 65 0 - 8.5-11.2 HD2 LYS 82 - QD2 LEU 57 far 0 64 0 - 8.6-10.6 QB ALA 22 - QD2 LEU 38 far 0 92 0 - 9.4-12.8 HG2 LYS 20 - QD2 LEU 57 far 0 64 0 - 9.5-13.6 HG13 ILE 76 - QD2 LEU 38 far 0 93 0 - 9.7-12.2 HD2 LYS 53 - QD2 LEU 57 far 0 64 0 - 10.0-11.9 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 24 assignments used, quality = 1.00: * HB3 LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 GLU 35 + QD1 LEU 70 OK 54 65 95 87 1.9-4.5 10420=25, 10608/2.1=18...(17) HB3 LEU 38 + QD1 LEU 70 OK 33 67 80 62 1.9-5.8 1639=18, 6599/6601=18...(10) HB3 GLU 35 + QD2 LEU 38 OK 28 99 35 81 2.8-6.3 10462/3.1=18, ~10168=15...(23) HG12 ILE 93 - QD2 LEU 57 poor 7 36 75 26 2.6-5.1 4.0/9360=7, ~2630=6...(6) HG3 GLU 37 - QD2 LEU 38 far 0 63 0 - 5.1-6.3 HB2 MET 74 - QD1 LEU 70 far 0 64 0 - 5.4-8.3 HB3 GLU 88 - QD2 LEU 57 far 0 64 0 - 6.1-8.7 HG3 GLU 37 - QD1 LEU 70 far 0 35 0 - 6.5-8.5 HB2 MET 21 - QD2 LEU 57 far 0 52 0 - 6.7-8.5 QE MET 21 - QD2 LEU 57 far 0 47 0 - 6.9-8.4 HB3 GLU 62 - QD2 LEU 38 far 0 96 0 - 7.7-11.5 HB3 GLU 43 - QD1 LEU 70 far 0 65 0 - 8.2-10.2 HB3 LEU 38 - QD2 LEU 57 far 0 64 0 - 8.3-10.9 HB3 GLU 62 - QD1 LEU 70 far 0 60 0 - 8.5-11.4 HB2 MET 74 - QD2 LEU 38 far 0 99 0 - 8.6-10.4 HB3 GLU 99 - QD2 LEU 57 far 0 36 0 - 9.0-12.5 HB3 GLU 43 - QD2 LEU 38 far 0 99 0 - 9.1-10.3 HG2 GLU 28 - QD2 LEU 57 far 0 62 0 - 9.2-13.0 HG3 GLU 28 - QD2 LEU 57 far 0 62 0 - 9.2-12.9 HB2 GLU 99 - QD2 LEU 57 far 0 44 0 - 9.2-12.6 HB3 PRO 86 - QD2 LEU 57 far 0 40 0 - 9.2-10.4 HG3 GLU 104 - QD2 LEU 57 far 0 48 0 - 9.7-19.4 HG12 ILE 93 - QD2 LEU 38 far 0 68 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 3.02 A): 5 out of 38 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 2.0-3.2 3.1=90, 1662/2.1=31...(20) HG3 LYS 39 + QD1 LEU 70 OK 41 58 85 83 1.9-4.5 1.8/10569=20, ~10569=16...(20) HB2 LEU 38 + QD1 LEU 70 OK 24 67 65 56 1.9-5.2 1631=12, 1.8/1639=10...(15) HG LEU 38 + QD1 LEU 70 OK 22 67 80 41 2.0-6.2 1647=9, ~12070=9...(10) HG12 ILE 7 - QD2 LEU 57 poor 18 36 50 - 3.2-4.9 HG3 LYS 39 - QD2 LEU 38 far 5 94 5 - 3.9-7.2 HG3 LYS 66 - QD1 LEU 70 far 4 39 10 - 2.7-6.8 HG2 LYS 66 - QD1 LEU 70 far 2 42 5 - 3.3-7.5 HG3 LYS 66 - QD2 LEU 38 far 0 70 0 - 4.1-8.3 HG2 LYS 73 - QD1 LEU 70 far 0 41 0 - 4.4-7.3 HG LEU 29 - QD2 LEU 57 far 0 49 0 - 4.7-6.9 HG2 LYS 66 - QD2 LEU 38 far 0 73 0 - 5.1-8.7 QB ALA 22 - QD2 LEU 57 far 0 49 0 - 5.2-7.2 HB3 LEU 64 - QD2 LEU 57 far 0 41 0 - 6.4-8.4 HG12 ILE 7 - QD2 LEU 38 far 0 68 0 - 6.6-9.7 HG3 ARG 91 - QD2 LEU 57 far 0 63 0 - 6.7-9.9 HB3 LEU 64 - QD2 LEU 38 far 0 75 0 - 7.1-8.7 HB2 LEU 27 - QD2 LEU 57 far 0 64 0 - 7.3-9.1 HD3 LYS 40 - QD2 LEU 38 far 0 100 0 - 7.5-9.9 HB2 ARG 91 - QD2 LEU 57 far 0 46 0 - 7.5-9.9 HG LEU 29 - QD2 LEU 38 far 0 87 0 - 7.7-11.1 HD2 LYS 40 - QD2 LEU 38 far 0 100 0 - 7.8-10.2 HG LEU 64 - QD2 LEU 38 far 0 91 0 - 7.9-9.6 HG LEU 64 - QD1 LEU 70 far 0 55 0 - 8.0-10.8 HG2 LYS 73 - QD2 LEU 38 far 0 71 0 - 8.1-11.4 HB2 LEU 38 - QD2 LEU 57 far 0 64 0 - 8.2-11.1 HG LEU 38 - QD2 LEU 57 far 0 64 0 - 8.2-10.9 HB3 LEU 64 - QD1 LEU 70 far 0 43 0 - 8.3-11.6 HG LEU 64 - QD2 LEU 57 far 0 53 0 - 8.4-10.4 HG13 ILE 76 - QD1 LEU 70 far 0 53 0 - 8.4-10.8 HD3 LYS 40 - QD1 LEU 70 far 0 66 0 - 8.5-11.2 HD2 LYS 40 - QD1 LEU 70 far 0 66 0 - 8.5-11.2 HD2 LYS 82 - QD2 LEU 57 far 0 64 0 - 8.6-10.6 QB ALA 22 - QD2 LEU 38 far 0 87 0 - 9.4-12.8 HG2 LYS 20 - QD2 LEU 57 far 0 64 0 - 9.5-13.6 HG13 ILE 76 - QD2 LEU 38 far 0 88 0 - 9.7-12.2 HD2 LYS 53 - QD2 LEU 57 far 0 64 0 - 10.0-11.9 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 7 assignments used, quality = 1.00: * H LYS 39 + QD2 LEU 38 OK 100 100 100 100 3.6-4.8 6599/3.1=89, 1633/3.1=78...(14) H LYS 39 + QD1 LEU 70 OK 67 67 100 100 2.9-4.4 ~10822=57, 3.0/8952=42...(26) H LYS 90 - QD2 LEU 57 far 0 34 0 - 6.3-7.4 H GLU 75 - QD1 LEU 70 far 0 66 0 - 7.1-9.2 H SER 102 - QD2 LEU 57 far 0 49 0 - 8.2-14.2 H ILE 15 - QD2 LEU 57 far 0 62 0 - 8.3-10.2 H GLU 17 - QD2 LEU 57 far 0 54 0 - 8.9-11.2 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 3.0-4.3 4.5=97, 1634/3.1=74...(23) H ILE 76 - QD1 LEU 38 far 0 79 0 - 7.4-10.7 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (3.87, 0.86, 23.57 ppm; 3.09 A): 2 out of 7 assignments used, quality = 0.99: * HA LEU 38 + QD1 LEU 38 OK 98 100 100 98 2.2-4.0 3.8=52, 2.9/1658=29...(26) HA ALA 67 + QD1 LEU 38 OK 59 92 100 64 2.3-3.9 9524/2.1=14, ~9526=13...(16) HA GLU 35 - QD1 LEU 38 poor 20 98 20 - 1.9-5.1 HA ALA 71 - QD1 LEU 38 lone 2 81 25 12 3.8-7.1 10598/12068=5...(5) HA GLU 63 - QD1 LEU 38 far 0 57 0 - 4.6-7.8 HA LYS 40 - QD1 LEU 38 far 0 99 0 - 6.3-8.2 HA GLU 43 - QD1 LEU 38 far 0 99 0 - 7.7-10.4 Violated in 1 structures by 0.02 A. Peak 1660 from cnoeabs.peaks (1.46, 0.86, 23.57 ppm; 3.01 A): 2 out of 15 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, 3.0/1659=29...(20) HG3 LYS 39 - QD1 LEU 38 poor 19 97 20 - 2.0-6.5 HG3 LYS 66 - QD1 LEU 38 far 0 61 0 - 4.3-8.5 HG2 LYS 66 - QD1 LEU 38 far 0 65 0 - 5.2-8.7 HG2 LYS 73 - QD1 LEU 38 far 0 63 0 - 6.8-10.8 HG12 ILE 7 - QD1 LEU 38 far 0 75 0 - 7.0-10.6 HB3 LEU 64 - QD1 LEU 38 far 0 68 0 - 7.1-9.7 HG13 ILE 76 - QD1 LEU 38 far 0 93 0 - 7.3-11.2 HD3 LYS 40 - QD1 LEU 38 far 0 99 0 - 7.7-9.3 HD2 LYS 40 - QD1 LEU 38 far 0 99 0 - 8.0-9.7 HG LEU 29 - QD1 LEU 38 far 0 92 0 - 8.2-11.5 HG LEU 64 - QD1 LEU 38 far 0 85 0 - 8.3-10.1 HG13 ILE 52 - QD1 LEU 38 far 0 100 0 - 8.9-13.6 QB ALA 22 - QD1 LEU 38 far 0 92 0 - 9.6-12.6 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 2.0-3.2 3.1=100 HB3 GLU 35 + QD1 LEU 38 OK 22 99 25 88 2.9-6.0 3.0/10168=31...(26) HG3 GLU 37 - QD1 LEU 38 far 0 63 0 - 5.3-7.6 HB2 MET 74 - QD1 LEU 38 far 0 99 0 - 6.1-10.0 HB3 GLU 43 - QD1 LEU 38 far 0 99 0 - 7.7-10.0 HB3 GLU 62 - QD1 LEU 38 far 0 96 0 - 8.7-12.2 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 15 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, 3.0/1659=29...(20) HG3 LYS 39 - QD1 LEU 38 poor 19 94 20 - 2.0-6.5 HG3 LYS 66 - QD1 LEU 38 far 0 70 0 - 4.3-8.5 HG2 LYS 66 - QD1 LEU 38 far 0 73 0 - 5.2-8.7 HG2 LYS 73 - QD1 LEU 38 far 0 71 0 - 6.8-10.8 HG12 ILE 7 - QD1 LEU 38 far 0 68 0 - 7.0-10.6 HB3 LEU 64 - QD1 LEU 38 far 0 75 0 - 7.1-9.7 HG13 ILE 76 - QD1 LEU 38 far 0 88 0 - 7.3-11.2 HD3 LYS 40 - QD1 LEU 38 far 0 100 0 - 7.7-9.3 HD2 LYS 40 - QD1 LEU 38 far 0 100 0 - 8.0-9.7 HG LEU 29 - QD1 LEU 38 far 0 87 0 - 8.2-11.5 HG LEU 64 - QD1 LEU 38 far 0 91 0 - 8.3-10.1 HG13 ILE 52 - QD1 LEU 38 far 0 100 0 - 8.9-13.6 QB ALA 22 - QD1 LEU 38 far 0 87 0 - 9.6-12.6 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 2.0-4.8 6599/3.1=97, 1633/3.1=89...(17) H GLU 75 - QD1 LEU 38 far 0 100 0 - 8.0-11.0 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 2.8-2.9 3.0=100 H GLU 75 - HA LYS 39 far 0 100 0 - 8.6-9.9 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 2.7-3.0 3.0=100 HB2 LEU 42 + HA LYS 39 OK 98 99 100 98 2.0-2.7 1.8/1679=52, 3.1/8953=43...(19) HG2 ARG 46 - HA LYS 39 far 0 82 0 - 6.7-11.2 HG3 ARG 46 - HA LYS 39 far 0 99 0 - 6.7-10.4 HB2 LYS 66 - HA LYS 39 far 0 73 0 - 8.1-9.8 HB VAL 78 - HA LYS 39 far 0 94 0 - 8.6-10.0 HB ILE 56 - HA LYS 39 far 0 68 0 - 9.7-11.3 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 2.3-3.0 3.0=100 HG LEU 42 + HA LYS 39 OK 68 70 100 98 3.2-4.0 2.1/8953=58, 3.0/1679=45...(17) HG2 ARG 46 - HA LYS 39 far 0 63 0 - 6.7-11.2 HB VAL 54 - HA LYS 39 far 0 88 0 - 8.5-9.9 HB3 LYS 66 - HA LYS 39 far 0 100 0 - 9.2-11.0 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 6 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.1-2.8 3.9=95, 1.8/1671=50...(52) HB2 LEU 70 + HA LYS 39 OK 60 87 75 92 3.7-5.4 3.1/10822=50...(14) HG3 LYS 40 - HA LYS 39 far 0 97 0 - 6.6-7.3 QB ALA 67 - HA LYS 39 far 0 99 0 - 6.8-7.8 HG12 ILE 8 - HA LYS 39 far 0 94 0 - 9.4-10.9 HB3 ARG 30 - HA LYS 39 far 0 84 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (1.44, 3.61, 60.29 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-3.5 3.9=97, 1713/3.0=54...(52) HB2 LEU 38 + HA LYS 39 OK 48 97 50 98 3.9-5.6 1633/3.0=47, ~6599=39...(25) HG LEU 38 - HA LYS 39 poor 19 94 20 - 3.7-6.4 QB ALA 71 - HA LYS 39 far 0 75 0 - 5.4-7.2 HG13 ILE 76 - HA LYS 39 far 0 100 0 - 7.0-9.3 HD3 LYS 40 - HA LYS 39 far 0 87 0 - 7.4-9.1 HD2 LYS 40 - HA LYS 39 far 0 88 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (1.65, 3.61, 60.29 ppm; 4.33 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.9-4.6 4.9=67, 3.0/1671=48...(62) HD3 LYS 39 + HA LYS 39 OK 98 98 100 100 3.6-4.6 4.9=67, 3.0/1671=48...(65) HB2 LYS 40 - HA LYS 39 far 0 99 0 - 5.5-5.9 HB3 LYS 40 - HA LYS 39 far 0 79 0 - 5.7-6.3 HD3 LYS 73 - HA LYS 39 far 0 99 0 - 5.9-12.1 HB ILE 76 - HA LYS 39 far 0 99 0 - 6.9-8.2 HD2 LYS 73 - HA LYS 39 far 0 98 0 - 7.4-11.4 HB3 LEU 6 - HA LYS 39 far 0 100 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.64, 3.61, 60.29 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.6-4.6 4.9=67, 3.0/1671=48...(65) HD2 LYS 39 + HA LYS 39 OK 98 98 100 100 3.9-4.6 4.9=67, 3.0/1671=48...(62) HB2 LYS 40 - HA LYS 39 far 0 100 0 - 5.5-5.9 HD3 LYS 73 - HA LYS 39 far 0 87 0 - 5.9-12.1 HB ILE 76 - HA LYS 39 far 0 100 0 - 6.9-8.2 HD2 LYS 73 - HA LYS 39 far 0 84 0 - 7.4-11.4 HB3 LEU 6 - HA LYS 39 far 0 100 0 - 8.0-10.1 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 3.4-3.6 3.6=100 H GLU 44 - HA LYS 39 far 0 75 0 - 6.5-7.3 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...(13) H LEU 70 - HA LYS 39 far 0 100 0 - 6.8-8.2 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 2.7-3.0 3.0=100 * HB2 LEU 42 + HA LYS 39 OK 99 100 100 99 2.0-2.7 1.8/1679=53, 3.1/8953=44...(19) HG2 ARG 46 - HA LYS 39 far 0 94 0 - 6.7-11.2 HG3 ARG 46 - HA LYS 39 far 0 92 0 - 6.7-10.4 HB VAL 78 - HA LYS 39 far 0 82 0 - 8.6-10.0 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 3.5-4.2 1.8/1909=62, 3.1/8953=62...(18) QB ALA 67 - HA LYS 39 far 0 70 0 - 6.8-7.8 Violated in 5 structures by 0.02 A. Peak 1680 from cnoeabs.peaks (8.08, 1.80, 32.18 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-2.2 6604=100, 6605/1.8=70...(24) H LYS 90 + HB2 LYS 90 OK 50 52 100 96 2.5-3.6 4.1=56, 7419/2.8=29...(16) H GLU 17 - HB2 LYS 90 far 0 79 0 - 4.9-10.1 H ILE 15 - HB2 LYS 90 far 0 89 0 - 7.8-12.4 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 2.7-3.0 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 10 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 HB2 LYS 20 - HB2 LYS 90 far 0 69 0 - 5.1-9.6 HG LEU 42 - HB2 LYS 39 far 0 70 0 - 5.7-6.5 HB3 LEU 14 - HB2 LYS 90 far 0 47 0 - 8.0-12.2 HB3 LYS 66 - HB2 LYS 39 far 0 100 0 - 8.4-10.8 HB2 ARG 19 - HB2 LYS 90 far 0 64 0 - 8.4-12.5 HB3 LEU 57 - HB2 LYS 90 far 0 50 0 - 8.7-11.5 HG2 ARG 46 - HB2 LYS 39 far 0 63 0 - 8.9-13.6 HB VAL 5 - HB2 LYS 90 far 0 91 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (1.34, 1.80, 32.18 ppm; 3.51 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 89 + HB2 LYS 90 OK 28 90 40 77 3.8-5.3 7415/4.1=43...(7) HB2 LEU 70 - HB2 LYS 39 far 9 87 10 - 4.2-6.5 HG2 LYS 94 - HB2 LYS 90 far 0 90 0 - 5.2-10.2 HG LEU 14 - HB2 LYS 90 far 0 90 0 - 5.6-9.7 HG3 LYS 40 - HB2 LYS 39 far 0 97 0 - 5.8-7.8 HG3 LYS 94 - HB2 LYS 90 far 0 54 0 - 6.5-10.3 QB ALA 25 - HB2 LYS 90 far 0 90 0 - 7.0-9.0 QB ALA 67 - HB2 LYS 39 far 0 99 0 - 7.1-8.8 HG12 ILE 8 - HB2 LYS 39 far 0 94 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1685 from cnoeabs.peaks (1.44, 1.80, 32.18 ppm; 3.75 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 38 + HB2 LYS 39 OK 31 97 35 90 3.8-6.0 1633/6604=42...(17) HG LEU 38 - HB2 LYS 39 poor 18 94 25 76 3.2-6.8 5.3/8853=20...(15) HG3 ARG 91 - HB2 LYS 90 far 9 88 10 - 2.9-8.2 HG2 LYS 20 - HB2 LYS 90 far 0 84 0 - 5.6-11.4 HD3 LYS 40 - HB2 LYS 39 far 0 87 0 - 5.8-8.5 QB ALA 22 - HB2 LYS 90 far 0 90 0 - 6.5-9.0 QB ALA 71 - HB2 LYS 39 far 0 75 0 - 7.0-9.0 HD2 LYS 40 - HB2 LYS 39 far 0 88 0 - 7.0-9.3 HG12 ILE 7 - HB2 LYS 90 far 0 83 0 - 8.6-11.5 HG LEU 29 - HB2 LYS 90 far 0 90 0 - 9.3-12.6 HG13 ILE 76 - HB2 LYS 39 far 0 100 0 - 9.4-11.7 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 15 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.0 3.6=81, 1.8/1737=39...(58) HD3 LYS 39 + HB2 LYS 39 OK 97 98 100 100 2.4-4.0 3.6=81, 1.8/1726=38...(60) HB3 ARG 91 - HB2 LYS 90 far 10 68 15 - 3.9-7.3 HB2 LYS 40 - HB2 LYS 39 far 0 99 0 - 4.4-6.1 HD2 LYS 94 - HB2 LYS 90 far 0 64 0 - 4.6-9.6 HB3 LYS 40 - HB2 LYS 39 far 0 79 0 - 5.1-6.4 HD3 LYS 73 - HB2 LYS 39 far 0 99 0 - 5.5-12.3 HD3 LYS 20 - HB2 LYS 90 far 0 79 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 75 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 79 0 - 5.9-11.4 HG2 PRO 86 - HB2 LYS 90 far 0 50 0 - 6.6-9.8 HD2 LYS 73 - HB2 LYS 39 far 0 98 0 - 6.9-12.1 HB3 LEU 6 - HB2 LYS 39 far 0 100 0 - 9.3-11.8 HB ILE 76 - HB2 LYS 39 far 0 99 0 - 9.4-11.0 HG12 ILE 15 - HB2 LYS 90 far 0 49 0 - 10.0-14.5 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 11 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-4.0 3.6=81, 1.8/1726=38...(60) HD2 LYS 39 + HB2 LYS 39 OK 97 98 100 100 2.4-4.0 3.6=81, 1.8/1737=39...(57) HB2 LYS 40 - HB2 LYS 39 far 0 100 0 - 4.4-6.1 HD2 LYS 94 - HB2 LYS 90 far 0 83 0 - 4.6-9.6 HD3 LYS 73 - HB2 LYS 39 far 0 87 0 - 5.5-12.3 HD3 LYS 20 - HB2 LYS 90 far 0 59 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 54 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 59 0 - 5.9-11.4 HD2 LYS 73 - HB2 LYS 39 far 0 84 0 - 6.9-12.1 HB3 LEU 6 - HB2 LYS 39 far 0 100 0 - 9.3-11.8 HB ILE 76 - HB2 LYS 39 far 0 100 0 - 9.4-11.0 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 2.0-4.8 4.9=72, 3.0/1737=43...(62) HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-4.7 4.9=72, 3.0/1737=43...(62) HE3 LYS 66 - HB2 LYS 39 far 0 77 0 - 7.3-12.9 HE2 LYS 66 - HB2 LYS 39 far 0 87 0 - 7.6-13.2 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 2.3-4.7 4.9=72, 3.0/1737=43...(62) HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-4.8 4.9=72, 3.0/1737=43...(62) HE2 LYS 20 - HB2 LYS 90 far 3 56 5 - 4.8-12.3 HE3 LYS 94 - HB2 LYS 90 far 0 58 0 - 5.5-10.9 HE3 LYS 20 - HB2 LYS 90 far 0 54 0 - 5.7-12.1 HE3 LYS 66 - HB2 LYS 39 far 0 87 0 - 7.3-12.9 HE2 LYS 66 - HB2 LYS 39 far 0 94 0 - 7.6-13.2 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 2.5-3.6 6620=100, 6621/1.8=89...(16) H GLU 44 - HB2 LYS 39 far 0 75 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (8.08, 1.86, 32.18 ppm; 3.19 A): 4 out of 16 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 99 100 100 99 2.9-3.5 6605=85, 6604/1.8=67...(16) H LYS 13 + HB3 LYS 12 OK 82 89 100 92 2.8-3.1 6165=51, 6165/1.8=36...(12) H LYS 13 + HB2 LYS 12 OK 82 90 100 91 3.3-4.0 6165=48, 6166/1.8=38...(10) H LYS 90 + HB3 LYS 90 OK 29 31 100 92 2.6-3.6 4.1=48, 7419/2.8=26...(11) H GLU 17 - HB2 LYS 20 far 0 54 0 - 4.9-8.0 H ILE 15 - HB2 LYS 12 far 0 89 0 - 4.9-5.3 H GLU 17 - HB3 LYS 90 far 0 50 0 - 5.2-9.3 H ILE 15 - HB3 LYS 12 far 0 89 0 - 5.4-5.8 H GLU 17 - HB2 LYS 12 far 0 80 0 - 6.2-7.5 H GLU 17 - HB3 LYS 12 far 0 79 0 - 7.3-8.4 H LYS 90 - HB2 LYS 20 far 0 34 0 - 7.6-10.8 H ILE 15 - HB3 LYS 90 far 0 58 0 - 7.9-12.3 H ILE 15 - HB2 LYS 20 far 0 63 0 - 9.0-12.1 H GLU 75 - HB2 LYS 68 far 0 72 0 - 9.4-11.2 H GLU 75 - HB3 LYS 68 far 0 97 0 - 9.5-11.8 H GLU 75 - HB3 LYS 39 far 0 100 0 - 9.7-11.4 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 2.3-3.0 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 28 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 HB2 LEU 42 - HB3 LYS 39 far 0 99 0 - 4.2-5.0 HG3 ARG 19 - HB2 LYS 20 far 0 33 0 - 4.6-8.0 HB ILE 93 - HB3 LYS 90 far 0 60 0 - 4.7-5.9 HB2 LYS 90 - HB2 LYS 20 far 0 60 0 - 5.1-9.6 HB3 LYS 90 - HB2 LYS 20 far 0 35 0 - 5.2-9.8 HB ILE 56 - HB3 LYS 68 far 0 63 0 - 5.3-8.1 HB ILE 56 - HB2 LYS 68 far 0 42 0 - 5.9-8.6 HB VAL 78 - HB2 LYS 68 far 0 64 0 - 6.3-10.5 HB VAL 78 - HB3 LYS 68 far 0 90 0 - 6.4-10.7 HG3 ARG 19 - HB2 LYS 12 far 0 51 0 - 6.7-8.8 HB2 LYS 66 - HB3 LYS 68 far 0 69 0 - 7.0-8.9 HB2 GLU 88 - HB3 LYS 90 far 0 57 0 - 7.2-8.8 HB2 LYS 66 - HB2 LYS 68 far 0 46 0 - 7.3-9.1 HG3 ARG 19 - HB3 LYS 90 far 0 30 0 - 7.4-12.0 HG2 ARG 46 - HB3 LYS 39 far 0 82 0 - 7.5-12.2 HB ILE 93 - HB2 LYS 20 far 0 64 0 - 7.5-9.6 HG3 ARG 46 - HB3 LYS 39 far 0 99 0 - 7.6-11.6 HB2 LYS 66 - HB3 LYS 39 far 0 73 0 - 7.8-10.6 HB3 LYS 82 - HB3 LYS 68 far 0 65 0 - 7.9-11.2 HB3 GLU 63 - HB3 LYS 68 far 0 88 0 - 7.9-11.0 HB3 LYS 82 - HB2 LYS 68 far 0 44 0 - 8.1-11.3 HG3 ARG 19 - HB3 LYS 12 far 0 50 0 - 8.3-10.5 HB3 LEU 57 - HB3 LYS 90 far 0 44 0 - 8.4-11.3 HB3 GLU 63 - HB2 LYS 68 far 0 62 0 - 9.0-11.0 HB2 GLU 104 - HB3 LYS 68 far 0 95 0 - 9.4-24.4 HB2 GLU 104 - HB2 LYS 68 far 0 70 0 - 9.6-23.4 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): 4 out of 24 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.0 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 44 97 55 83 3.8-5.2 2985/3010=39...(12) QB ALA 89 - HB3 LYS 90 far 9 60 15 - 4.0-5.3 HB2 LEU 70 - HB3 LYS 39 far 4 87 5 - 4.1-7.2 QB ALA 67 - HB2 LYS 68 far 4 71 5 - 4.1-5.4 HG2 LYS 94 - HB3 LYS 90 far 0 60 0 - 5.0-9.4 HG3 LYS 40 - HB3 LYS 39 far 0 97 0 - 5.4-7.8 HG LEU 14 - HB3 LYS 90 far 0 60 0 - 6.0-10.1 HG3 LYS 94 - HB3 LYS 90 far 0 33 0 - 6.1-10.1 HB2 LEU 70 - HB3 LYS 68 far 0 83 0 - 6.6-8.9 HB2 LYS 82 - HB3 LYS 68 far 0 98 0 - 6.7-10.0 HB2 LEU 70 - HB2 LYS 68 far 0 57 0 - 6.8-9.1 QB ALA 25 - HB3 LYS 90 far 0 60 0 - 6.8-9.0 QB ALA 89 - HB2 LYS 20 far 0 64 0 - 7.4-10.1 QB ALA 25 - HB2 LYS 20 far 0 64 0 - 7.5-8.5 HB2 LYS 82 - HB2 LYS 68 far 0 73 0 - 7.5-9.7 QB ALA 67 - HB3 LYS 39 far 0 99 0 - 7.6-9.6 HG LEU 14 - HB2 LYS 12 far 0 91 0 - 9.0-9.6 HG LEU 14 - HB2 LYS 20 far 0 64 0 - 9.2-12.6 HG LEU 14 - HB3 LYS 12 far 0 90 0 - 9.2-9.8 QB ALA 89 - HB2 LYS 12 far 0 91 0 - 9.6-10.5 HG2 LYS 94 - HB2 LYS 20 far 0 64 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (1.44, 1.86, 32.18 ppm; 3.05 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 91 91 100 100 2.6-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 58 58 100 100 2.3-3.0 3.0=100 HG LEU 64 - HB3 LYS 68 poor 19 56 50 69 3.0-5.8 ~12320=17, 2.1/10567=13...(16) HG LEU 38 - HB3 LYS 39 far 5 94 5 - 3.4-7.8 HG LEU 64 - HB2 LYS 68 far 0 36 0 - 4.1-5.8 HG2 LYS 13 - HB3 LYS 12 far 0 88 0 - 4.1-6.5 HG3 ARG 91 - HB3 LYS 90 far 0 57 0 - 4.4-8.4 QB ALA 71 - HB2 LYS 68 far 0 48 0 - 4.5-5.5 QB ALA 71 - HB3 LYS 68 far 0 71 0 - 4.8-5.8 HG2 LYS 13 - HB2 LYS 12 far 0 88 0 - 4.9-7.7 HG2 LYS 20 - HB3 LYS 90 far 0 54 0 - 5.0-11.0 HB2 LEU 38 - HB3 LYS 39 far 0 97 0 - 5.1-7.3 QB ALA 22 - HB2 LYS 20 far 0 64 0 - 6.2-6.9 HD3 LYS 40 - HB3 LYS 39 far 0 87 0 - 6.3-8.7 QB ALA 22 - HB3 LYS 90 far 0 60 0 - 6.6-8.9 HD2 LYS 40 - HB3 LYS 39 far 0 88 0 - 6.6-9.3 QB ALA 71 - HB3 LYS 39 far 0 75 0 - 7.2-9.3 HG LEU 38 - HB3 LYS 68 far 0 90 0 - 7.5-12.4 HG12 ILE 7 - HB3 LYS 90 far 0 53 0 - 8.0-11.8 HG13 ILE 76 - HB3 LYS 39 far 0 100 0 - 8.3-11.4 HG LEU 38 - HB2 LYS 68 far 0 64 0 - 8.5-13.1 HG LEU 29 - HB3 LYS 90 far 0 60 0 - 9.0-12.7 HB2 LEU 38 - HB3 LYS 68 far 0 94 0 - 9.0-12.0 HG2 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.3-11.3 HG LEU 29 - HB2 LYS 20 far 0 64 0 - 9.5-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 58 0 - 9.6-11.0 HD2 LYS 82 - HB3 LYS 68 far 0 90 0 - 9.8-12.9 HB2 LEU 38 - HB2 LYS 68 far 0 68 0 - 9.8-12.5 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 39 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 93 95 100 98 2.2-3.0 2.9=83, 7111/3010=27...(32) HD3 LYS 39 + HB3 LYS 39 OK 85 98 90 97 2.0-3.7 3.6=42, 1737/1.8=25...(45) HD2 LYS 68 + HB3 LYS 68 OK 76 98 80 97 2.1-3.9 3.5=46, 3045/1.8=12...(61) HD3 LYS 68 + HB3 LYS 68 OK 76 98 80 97 2.3-4.1 3.5=46, 3044/3.0=16...(62) * HD2 LYS 39 + HB3 LYS 39 OK 73 100 75 97 2.0-3.8 3.6=42, 1726/1.8=25...(41) HG2 LYS 68 + HB2 LYS 68 OK 68 69 100 98 2.3-3.0 2.9=83, 2993/3.0=25...(33) HD3 LYS 68 + HB2 LYS 68 OK 60 73 85 97 2.1-3.9 3.5=46, 3044/3.0=16...(63) HG3 LYS 20 + HB2 LYS 20 OK 52 54 100 95 2.2-3.0 3.0=76, 893/4.0=17...(45) HD2 LYS 68 + HB2 LYS 68 OK 35 73 50 97 2.0-3.8 3.5=46, 3038/2.9=10...(62) HD3 LYS 20 + HB2 LYS 20 OK 31 54 60 94 2.3-4.2 3.5=44, ~848=8...(71) HD2 LYS 20 + HB2 LYS 20 OK 26 51 55 94 2.4-4.1 3.5=44, ~848=8...(71) HD2 LYS 94 - HB3 LYS 90 far 0 40 0 - 4.2-9.7 HB2 LYS 40 - HB3 LYS 39 far 0 99 0 - 4.3-6.0 HB3 ARG 91 - HB3 LYS 90 far 0 42 0 - 4.5-7.3 HB3 LYS 40 - HB3 LYS 39 far 0 79 0 - 4.6-6.5 HG3 LYS 20 - HB3 LYS 90 far 0 50 0 - 5.0-11.2 HD2 LYS 20 - HB3 LYS 90 far 0 47 0 - 5.5-10.7 HD3 LYS 73 - HB3 LYS 39 far 0 99 0 - 5.7-12.1 HG12 ILE 15 - HB2 LYS 12 far 0 49 0 - 5.8-7.3 HD3 LYS 20 - HB3 LYS 90 far 0 50 0 - 6.4-10.6 HG12 ILE 15 - HB3 LYS 12 far 0 49 0 - 6.6-7.9 HG2 PRO 86 - HB3 LYS 90 far 0 30 0 - 7.2-10.1 HB3 ARG 79 - HB3 LYS 68 far 0 98 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 98 0 - 7.4-12.1 HB3 ARG 79 - HB2 LYS 68 far 0 73 0 - 7.6-11.5 HD3 LYS 20 - HB2 LYS 12 far 0 80 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 76 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 68 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 80 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 94 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 99 0 - 8.9-10.9 HD3 LYS 73 - HB2 LYS 68 far 0 70 0 - 8.9-12.2 HB ILE 76 - HB3 LYS 68 far 0 96 0 - 9.1-12.2 HB ILE 76 - HB2 LYS 68 far 0 70 0 - 9.1-11.5 HD2 LYS 94 - HB2 LYS 20 far 0 43 0 - 9.1-13.0 HD3 LYS 73 - HB3 LYS 68 far 0 95 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 79 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.5-12.4 HB3 LEU 6 - HB3 LYS 68 far 0 97 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (1.64, 1.86, 32.18 ppm; 2.69 A): 10 out of 34 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 96 98 100 98 2.2-3.0 2.9=83, 7109/3010=27...(32) * HD3 LYS 39 + HB3 LYS 39 OK 88 100 90 97 2.0-3.7 3.6=42, 1737/1.8=26...(45) HD3 LYS 68 + HB3 LYS 68 OK 74 96 80 97 2.3-4.1 3.5=46, 3055/3.0=16...(62) HD2 LYS 68 + HB3 LYS 68 OK 74 95 80 97 2.1-3.9 3.5=46, 3056/1.8=12...(61) HG2 LYS 68 + HB2 LYS 68 OK 72 73 100 98 2.3-3.0 2.9=83, 2990/3.0=25...(32) HD2 LYS 39 + HB3 LYS 39 OK 71 98 75 97 2.0-3.8 3.6=42, 1737/1.8=24...(41) HD3 LYS 68 + HB2 LYS 68 OK 58 70 85 97 2.1-3.9 3.5=46, 3055/3.0=16...(63) HG3 LYS 20 + HB2 LYS 20 OK 37 39 100 94 2.2-3.0 3.0=76, ~848=14...(45) HD2 LYS 68 + HB2 LYS 68 OK 34 70 50 97 2.0-3.8 3.5=46, 3036/2.9=10...(62) HD3 LYS 20 + HB2 LYS 20 OK 22 39 60 93 2.3-4.2 3.5=44, ~848=8...(71) HD2 LYS 20 - HB2 LYS 20 poor 19 35 55 - 2.4-4.1 HD2 LYS 94 - HB3 LYS 90 far 0 53 0 - 4.2-9.7 HB2 LYS 40 - HB3 LYS 39 far 0 100 0 - 4.3-6.0 HG3 LYS 20 - HB3 LYS 90 far 0 36 0 - 5.0-11.2 HD2 LYS 20 - HB3 LYS 90 far 0 33 0 - 5.5-10.7 HD3 LYS 73 - HB3 LYS 39 far 0 87 0 - 5.7-12.1 HD3 LYS 20 - HB3 LYS 90 far 0 36 0 - 6.4-10.6 HB3 ARG 79 - HB3 LYS 68 far 0 94 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 84 0 - 7.4-12.1 HB3 ARG 79 - HB2 LYS 68 far 0 68 0 - 7.6-11.5 HD3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 55 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 55 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 80 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 100 0 - 8.9-10.9 HD3 LYS 73 - HB2 LYS 68 far 0 57 0 - 8.9-12.2 HB ILE 76 - HB3 LYS 68 far 0 98 0 - 9.1-12.2 HB ILE 76 - HB2 LYS 68 far 0 73 0 - 9.1-11.5 HD2 LYS 94 - HB2 LYS 20 far 0 57 0 - 9.1-13.0 HD3 LYS 73 - HB3 LYS 68 far 0 83 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 59 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 54 0 - 9.5-12.4 HB3 LEU 6 - HB3 LYS 68 far 0 97 0 - 9.9-13.6 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 2.3-4.6 4.9=50, 1762/3.0=28...(45) HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.7 4.9=50, 1762/3.0=28...(45) HE2 LYS 68 + HB3 LYS 68 OK 53 56 95 100 3.3-4.9 5.0=48, ~3055=17...(83) HE3 LYS 68 + HB3 LYS 68 OK 51 60 85 100 3.1-4.9 5.0=48, ~3055=17...(83) HE3 LYS 68 + HB2 LYS 68 OK 39 39 100 100 2.2-4.5 5.0=48, 1.8/3078=19...(88) HE2 LYS 68 + HB2 LYS 68 OK 36 36 100 100 2.4-4.4 5.0=48, 1.8/3078=18...(88) HE3 LYS 66 - HB3 LYS 68 far 0 73 0 - 7.3-11.1 HE2 LYS 66 - HB3 LYS 68 far 0 83 0 - 7.9-11.4 HE3 LYS 82 - HB3 LYS 68 far 0 92 0 - 8.0-13.5 HE3 LYS 66 - HB2 LYS 68 far 0 49 0 - 8.1-11.5 HE3 LYS 82 - HB2 LYS 68 far 0 66 0 - 8.4-13.2 HE3 LYS 66 - HB3 LYS 39 far 0 77 0 - 8.5-14.5 HE2 LYS 66 - HB2 LYS 68 far 0 57 0 - 8.7-11.9 HE2 LYS 66 - HB3 LYS 39 far 0 87 0 - 9.2-14.2 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 24 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.7 4.9=50, 1762/3.0=28...(45) HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.6 4.9=50, 1762/3.0=28...(45) HE2 LYS 68 + HB3 LYS 68 OK 64 67 95 100 3.3-4.9 5.0=48, ~3055=17...(83) HE3 LYS 68 + HB3 LYS 68 OK 60 71 85 100 3.1-4.9 5.0=48, ~3055=17...(83) HE3 LYS 68 + HB2 LYS 68 OK 48 48 100 100 2.2-4.5 5.0=48, 1.8/3078=19...(88) HE2 LYS 68 + HB2 LYS 68 OK 45 45 100 100 2.4-4.4 5.0=48, 1.8/3078=18...(88) HE2 LYS 20 + HB2 LYS 20 OK 33 37 90 100 2.2-5.1 4.7=57, 1.8/3068=14...(99) HE3 LYS 20 + HB2 LYS 20 OK 32 35 90 100 2.0-5.2 4.7=57, 1.8/3068=14...(99) HE3 LYS 94 - HB3 LYS 90 far 2 35 5 - 4.7-10.0 HE2 LYS 20 - HB3 LYS 90 far 0 34 0 - 5.1-11.5 HE3 LYS 20 - HB3 LYS 90 far 0 33 0 - 5.5-11.3 HE3 LYS 66 - HB3 LYS 68 far 0 83 0 - 7.3-11.1 HE3 LYS 20 - HB2 LYS 12 far 0 55 0 - 7.8-13.0 HE2 LYS 20 - HB2 LYS 12 far 0 56 0 - 7.9-12.9 HE2 LYS 66 - HB3 LYS 68 far 0 90 0 - 7.9-11.4 HE3 LYS 82 - HB3 LYS 68 far 0 85 0 - 8.0-13.5 HE3 LYS 66 - HB2 LYS 68 far 0 57 0 - 8.1-11.5 HE3 LYS 82 - HB2 LYS 68 far 0 60 0 - 8.4-13.2 HE3 LYS 66 - HB3 LYS 39 far 0 87 0 - 8.5-14.5 HE2 LYS 66 - HB2 LYS 68 far 0 64 0 - 8.7-11.9 HE3 LYS 94 - HB2 LYS 20 far 0 38 0 - 8.7-14.1 HE2 LYS 66 - HB3 LYS 39 far 0 94 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 54 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 56 0 - 9.5-13.8 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 2.7-3.9 6621=100, 6620/1.8=82...(10) HD22 ASN 10 - HB3 LYS 12 far 0 69 0 - 6.6-10.9 H GLU 44 - HB3 LYS 39 far 0 75 0 - 7.2-8.9 HD22 ASN 10 - HB2 LYS 12 far 0 70 0 - 8.0-11.4 Violated in 1 structures by 0.00 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 3.2-4.6 1713/1.8=88, 6604/3.0=85...(23) H GLU 75 - HG2 LYS 39 far 0 100 0 - 7.4-9.3 H GLU 75 - HG3 LYS 68 far 0 66 0 - 9.7-12.0 Violated in 2 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 2.1-2.8 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): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 42 + HG2 LYS 39 OK 85 99 90 95 3.3-5.0 3.1/10570=58...(16) HB ILE 56 - HG3 LYS 68 far 0 38 0 - 5.5-8.9 HG3 ARG 46 - HG2 LYS 39 far 0 99 0 - 6.3-10.9 HB2 LYS 66 - HG2 LYS 39 far 0 73 0 - 6.4-10.2 HB2 LYS 66 - HG3 LYS 68 far 0 42 0 - 6.7-9.4 HB VAL 78 - HG3 LYS 68 far 0 58 0 - 6.8-11.2 HG2 ARG 46 - HG2 LYS 39 far 0 82 0 - 7.0-11.6 HB3 GLU 63 - HG3 LYS 68 far 0 56 0 - 8.2-10.4 HB3 LYS 82 - HG3 LYS 68 far 0 39 0 - 8.3-11.7 HB VAL 78 - HG2 LYS 39 far 0 94 0 - 9.6-11.5 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 11 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-3.0 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 - 5.1-6.0 HB3 LYS 66 - HG3 LYS 68 far 0 67 0 - 6.5-9.2 HG2 ARG 46 - HG2 LYS 39 far 0 63 0 - 7.0-11.6 HB3 LYS 66 - HG2 LYS 39 far 0 100 0 - 7.9-11.9 HB VAL 54 - HG3 LYS 68 far 0 53 0 - 9.2-12.7 HB ILE 8 - HG3 LYS 68 far 0 41 0 - 9.5-12.4 HB VAL 54 - HG2 LYS 39 far 0 88 0 - 9.9-11.6 HG LEU 42 - HG3 LYS 68 far 0 39 0 - 9.9-12.5 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 2 33 5 - 3.5-5.6 HG LEU 38 - HG2 LYS 39 far 0 94 0 - 4.0-8.2 QB ALA 71 - HG3 LYS 68 far 0 43 0 - 4.1-6.1 HB2 LEU 38 - HG2 LYS 39 far 0 97 0 - 4.6-7.4 QB ALA 71 - HG2 LYS 39 far 0 75 0 - 5.4-7.8 HG13 ILE 76 - HG2 LYS 39 far 0 100 0 - 6.5-10.5 HD2 LYS 40 - HG2 LYS 39 far 0 88 0 - 8.0-10.5 HD3 LYS 40 - HG2 LYS 39 far 0 87 0 - 8.0-10.6 HG LEU 38 - HG3 LYS 68 far 0 58 0 - 8.1-11.9 HB2 LEU 38 - HG3 LYS 68 far 0 62 0 - 9.4-11.8 HD2 LYS 82 - HG3 LYS 68 far 0 58 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 1708 from cnoeabs.peaks (1.65, 1.34, 25.61 ppm; 2.54 A): 5 out of 16 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=31...(56) HD3 LYS 39 + HG2 LYS 39 OK 96 98 100 98 2.2-3.0 3.0=63, 1719/1.8=30...(63) 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 63 67 100 94 2.2-3.0 3.0=63, 1.8/3048=12...(59) HD2 LYS 68 + HG3 LYS 68 OK 62 67 100 93 2.3-2.9 3.0=63, 1.8/3048=12...(57) HD3 LYS 73 - HG2 LYS 39 far 0 99 0 - 3.9-10.6 HD2 LYS 73 - HG2 LYS 39 far 0 98 0 - 5.4-9.8 HB2 LYS 40 - HG2 LYS 39 far 0 99 0 - 5.6-7.2 HB3 LYS 40 - HG2 LYS 39 far 0 79 0 - 6.3-7.9 HB3 ARG 79 - HG3 LYS 68 far 0 67 0 - 7.0-11.5 HB ILE 76 - HG2 LYS 39 far 0 99 0 - 7.1-9.4 HD3 LYS 73 - HG3 LYS 68 far 0 64 0 - 7.5-12.7 HD2 LYS 73 - HG3 LYS 68 far 0 62 0 - 8.2-12.3 HB ILE 76 - HG3 LYS 68 far 0 64 0 - 9.2-12.6 HB3 LEU 6 - HG2 LYS 39 far 0 100 0 - 9.5-11.7 HB3 LEU 6 - HG3 LYS 68 far 0 66 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 1709 from cnoeabs.peaks (1.64, 1.34, 25.61 ppm; 2.54 A): 5 out of 15 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=31...(63) HD2 LYS 39 + HG2 LYS 39 OK 96 98 100 98 2.2-3.0 3.0=63, 1720/1.8=30...(56) 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 94 2.2-3.0 3.0=63, 1.8/3048=12...(59) HD2 LYS 68 + HG3 LYS 68 OK 59 64 100 93 2.3-2.9 3.0=63, 1.8/3048=12...(57) HD3 LYS 73 - HG2 LYS 39 far 0 87 0 - 3.9-10.6 HD2 LYS 73 - HG2 LYS 39 far 0 84 0 - 5.4-9.8 HB2 LYS 40 - HG2 LYS 39 far 0 100 0 - 5.6-7.2 HB3 ARG 79 - HG3 LYS 68 far 0 62 0 - 7.0-11.5 HB ILE 76 - HG2 LYS 39 far 0 100 0 - 7.1-9.4 HD3 LYS 73 - HG3 LYS 68 far 0 52 0 - 7.5-12.7 HD2 LYS 73 - HG3 LYS 68 far 0 49 0 - 8.2-12.3 HB ILE 76 - HG3 LYS 68 far 0 67 0 - 9.2-12.6 HB3 LEU 6 - HG2 LYS 39 far 0 100 0 - 9.5-11.7 HB3 LEU 6 - HG3 LYS 68 far 0 66 0 - 9.6-14.0 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 2.2-4.0 3.5=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-4.1 3.5=100 HE3 LYS 68 + HG3 LYS 68 OK 35 35 100 100 2.0-4.1 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 33 33 100 100 2.0-4.1 3.6=100 HE2 LYS 66 - HG3 LYS 68 far 0 52 0 - 7.4-11.6 HE3 LYS 66 - HG3 LYS 68 far 0 44 0 - 7.7-10.4 HE3 LYS 82 - HG3 LYS 68 far 0 60 0 - 8.0-13.6 HE3 LYS 66 - HG2 LYS 39 far 0 77 0 - 9.0-14.8 HE2 LYS 66 - HG2 LYS 39 far 0 87 0 - 9.1-13.4 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 2.2-4.1 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-4.0 3.5=100 HE3 LYS 68 + HG3 LYS 68 OK 43 43 100 100 2.0-4.1 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 41 41 100 100 2.0-4.1 3.6=100 HE2 LYS 66 - HG3 LYS 68 far 0 58 0 - 7.4-11.6 HE3 LYS 66 - HG3 LYS 68 far 0 52 0 - 7.7-10.4 HE3 LYS 82 - HG3 LYS 68 far 0 54 0 - 8.0-13.6 HE3 LYS 66 - HG2 LYS 39 far 0 87 0 - 9.0-14.8 HE2 LYS 66 - HG2 LYS 39 far 0 94 0 - 9.1-13.4 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 4.0-5.2 6621/3.0=98, 6620/3.0=97...(14) H GLU 44 - HG2 LYS 39 far 0 75 0 - 7.2-9.4 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 2.9-4.2 6604/3.0=74, 6605/3.0=72...(22) H GLU 75 - HG3 LYS 39 far 0 100 0 - 7.9-11.0 Violated in 6 structures by 0.02 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 2.3-3.5 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 2.2-3.0 3.0=100 HB2 LEU 42 + HG3 LYS 39 OK 43 99 45 97 3.5-5.5 3.1/10568=44, ~10570=38...(15) HB2 LYS 66 - HG3 LYS 39 far 0 73 0 - 5.9-10.7 HG2 ARG 46 - HG3 LYS 39 far 0 82 0 - 7.6-13.1 HG3 ARG 46 - HG3 LYS 39 far 0 99 0 - 7.8-12.4 HB VAL 78 - HG3 LYS 39 far 0 94 0 - 9.4-12.7 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 4 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 42 - HG3 LYS 39 far 0 70 0 - 5.1-6.6 HB3 LYS 66 - HG3 LYS 39 far 0 100 0 - 7.6-12.0 HG2 ARG 46 - HG3 LYS 39 far 0 63 0 - 7.6-13.1 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 5 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 45 44 2.5-6.8 10276/12073=8, ~10569=8...(12) HG3 LYS 40 - HG3 LYS 39 far 0 97 0 - 5.3-9.1 QB ALA 67 - HG3 LYS 39 far 0 99 0 - 6.6-9.9 HG12 ILE 8 - HG3 LYS 39 far 0 94 0 - 9.9-12.5 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 8 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.3-3.0 3.0=66, 1.8/1740=24...(59) HD3 LYS 39 + HG3 LYS 39 OK 96 98 100 98 2.2-3.0 3.0=66, 1.8/1740=22...(62) HD3 LYS 73 - HG3 LYS 39 far 0 99 0 - 3.5-12.1 HB2 LYS 40 - HG3 LYS 39 far 0 99 0 - 4.1-7.5 HB3 LYS 40 - HG3 LYS 39 far 0 79 0 - 5.1-8.1 HD2 LYS 73 - HG3 LYS 39 far 0 98 0 - 5.2-10.9 HB ILE 76 - HG3 LYS 39 far 0 99 0 - 7.4-10.3 HB3 LEU 6 - HG3 LYS 39 far 0 100 0 - 9.2-12.1 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 7 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.2-3.0 3.0=66, 1.8/1740=22...(62) HD2 LYS 39 + HG3 LYS 39 OK 96 98 100 98 2.3-3.0 3.0=66, 1.8/1740=24...(59) HD3 LYS 73 - HG3 LYS 39 far 0 87 0 - 3.5-12.1 HB2 LYS 40 - HG3 LYS 39 far 0 100 0 - 4.1-7.5 HD2 LYS 73 - HG3 LYS 39 far 0 84 0 - 5.2-10.9 HB ILE 76 - HG3 LYS 39 far 0 100 0 - 7.4-10.3 HB3 LEU 6 - HG3 LYS 39 far 0 100 0 - 9.2-12.1 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 2.0-4.1 3.5=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-3.7 3.5=100 HE3 LYS 66 - HG3 LYS 39 far 0 77 0 - 7.3-13.2 HE2 LYS 66 - HG3 LYS 39 far 0 87 0 - 7.5-12.7 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 2.0-3.7 3.5=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.1 3.5=100 HE3 LYS 66 - HG3 LYS 39 far 0 87 0 - 7.3-13.2 HE2 LYS 66 - HG3 LYS 39 far 0 94 0 - 7.5-12.7 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 2.9-5.3 6621/3.0=98, 6620/3.0=97...(13) H GLU 44 - HG3 LYS 39 far 0 75 0 - 7.3-10.0 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 = 0.87: H LYS 39 + HD3 LYS 39 OK 61 95 65 100 4.5-5.9 6604/3.6=69, 6605/3.6=68...(18) * H LYS 39 + HD2 LYS 39 OK 45 100 45 100 4.5-5.7 6604/3.6=69, 6605/3.6=68...(21) H GLU 17 + HD3 LYS 20 OK 23 63 60 61 3.4-7.7 6250/12058=13, ~894=9...(17) H GLU 17 + HD2 LYS 20 OK 23 57 65 61 3.5-6.7 6250/12058=15, ~894=9...(17) H LYS 90 - HB3 ARG 91 poor 19 32 75 79 4.4-6.3 7431/3.9=41, 7453/4.3=34...(10) H LYS 90 - HD2 LYS 94 far 0 29 0 - 6.6-10.0 H ILE 15 - HD3 LYS 20 far 0 72 0 - 7.6-11.2 H ILE 15 - HD2 LYS 20 far 0 66 0 - 7.7-10.6 H GLU 75 - HD2 LYS 39 far 0 100 0 - 7.8-11.1 H LYS 90 - HD3 LYS 20 far 0 40 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 36 0 - 8.1-11.6 H GLU 75 - HD3 LYS 39 far 0 93 0 - 8.4-10.6 H GLU 75 - HD2 LYS 68 far 0 94 0 - 8.5-13.2 H LYS 13 - HD3 LYS 20 far 0 73 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 66 0 - 8.9-11.7 H GLU 75 - HD3 LYS 68 far 0 94 0 - 9.5-13.2 Violated in 3 structures by 0.01 A. Peak 1725 from cnoeabs.peaks (3.61, 1.65, 29.36 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-4.6 4.9=95, 1671/3.0=57...(62) HA LYS 39 + HD3 LYS 39 OK 95 95 100 100 3.6-4.6 4.9=95, 1671/3.0=57...(65) 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 41 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-4.0 3.6=72, 1687/1.8=33...(59) HB2 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.4-4.0 3.6=72, 1686/1.8=33...(58) HB2 LYS 90 - HB3 ARG 91 far 6 56 10 - 3.9-7.3 HG3 ARG 19 - HD3 LYS 20 far 4 39 10 - 3.3-8.6 HG3 ARG 19 - HD2 LYS 20 far 3 35 10 - 2.0-8.6 HB3 LYS 90 - HD2 LYS 94 far 0 31 0 - 4.2-9.7 HB3 LYS 90 - HB3 ARG 91 far 0 33 0 - 4.5-7.3 HB2 LYS 90 - HD2 LYS 94 far 0 52 0 - 4.6-9.6 HG3 ARG 46 - HD2 LYS 47 far 0 63 0 - 4.8-9.6 HB2 LEU 42 - HD3 LYS 39 far 0 92 0 - 5.0-6.5 HB2 GLU 88 - HB3 ARG 91 far 0 58 0 - 5.2-7.5 HG3 ARG 46 - HD3 LYS 47 far 0 60 0 - 5.4-9.2 HB2 LEU 42 - HD2 LYS 39 far 0 99 0 - 5.4-7.0 HB3 LYS 90 - HD2 LYS 20 far 0 37 0 - 5.5-10.7 HB2 LYS 90 - HD3 LYS 20 far 0 69 0 - 5.7-11.8 HB2 LYS 90 - HD2 LYS 20 far 0 62 0 - 5.8-11.5 HG2 ARG 46 - HD2 LYS 47 far 0 48 0 - 5.9-9.9 HB ILE 93 - HD2 LYS 94 far 0 57 0 - 6.0-8.2 HB3 LYS 90 - HD3 LYS 20 far 0 42 0 - 6.4-10.6 HB ILE 56 - HD3 LYS 68 far 0 60 0 - 6.5-9.8 HG2 ARG 46 - HD3 LYS 47 far 0 46 0 - 6.7-9.3 HB ILE 93 - HB3 ARG 91 far 0 60 0 - 6.8-7.5 HB2 LYS 66 - HD2 LYS 39 far 0 73 0 - 7.1-9.6 HB3 LYS 82 - HD3 LYS 68 far 0 62 0 - 7.3-9.9 HB VAL 78 - HD3 LYS 68 far 0 86 0 - 7.5-12.6 HG3 ARG 46 - HD3 LYS 39 far 0 91 0 - 7.5-12.3 HB2 LYS 66 - HD3 LYS 39 far 0 65 0 - 7.5-10.3 HB ILE 56 - HD2 LYS 68 far 0 60 0 - 7.7-10.5 HB3 GLU 63 - HD3 LYS 68 far 0 84 0 - 7.8-11.1 HB2 LYS 66 - HD3 LYS 68 far 0 66 0 - 7.9-10.5 HG2 ARG 46 - HD2 LYS 39 far 0 82 0 - 8.0-13.7 HB VAL 78 - HD2 LYS 68 far 0 87 0 - 8.2-13.0 HB2 LYS 66 - HD2 LYS 68 far 0 66 0 - 8.3-9.8 HG2 ARG 46 - HD3 LYS 39 far 0 73 0 - 8.4-13.1 HB3 LYS 82 - HD2 LYS 68 far 0 62 0 - 8.5-11.1 HG3 ARG 46 - HD2 LYS 39 far 0 99 0 - 8.5-13.0 HB3 GLU 63 - HD2 LYS 68 far 0 84 0 - 8.9-11.6 HB ILE 93 - HD2 LYS 20 far 0 67 0 - 8.9-12.0 HB ILE 93 - HD3 LYS 20 far 0 74 0 - 9.2-11.9 HB2 LEU 42 - HD3 LYS 47 far 0 61 0 - 9.4-12.3 HB2 LEU 42 - HD2 LYS 47 far 0 64 0 - 9.8-12.4 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 33 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.0-3.8 3.6=56, 1.8/1686=28...(40) HB3 LYS 39 + HD3 LYS 39 OK 93 95 100 99 2.0-3.7 3.6=56, 1.8/1686=28...(40) HB3 LYS 68 + HD2 LYS 68 OK 88 93 95 99 2.1-3.9 3.5=60, 1.8/3004=15...(66) HB2 LYS 68 + HD2 LYS 68 OK 78 79 100 99 2.0-3.8 3.5=60, 3004/1.8=13...(69) HB2 LYS 68 + HD3 LYS 68 OK 74 79 95 99 2.1-3.9 3.5=60, 3.0/3044=18...(69) HB3 LYS 68 + HD3 LYS 68 OK 74 93 80 99 2.3-4.1 3.5=60, 3.0/3044=18...(66) HB2 LYS 20 + HD3 LYS 20 OK 34 54 65 96 2.3-4.2 3.5=58, ~848=11...(59) HB2 LYS 20 + HD2 LYS 20 OK 33 49 70 97 2.4-4.1 3.5=58, ~848=11...(59) HB2 ARG 19 - HD3 LYS 20 far 5 50 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 45 5 - 3.3-7.2 HB3 LYS 90 - HD2 LYS 94 far 0 39 0 - 4.2-9.7 HB3 LYS 90 - HB3 ARG 91 far 0 42 0 - 4.5-7.3 HB3 LYS 90 - HD2 LYS 20 far 0 48 0 - 5.5-10.7 HG2 ARG 46 - HD2 LYS 47 far 0 35 0 - 5.9-9.9 HB3 LYS 90 - HD3 LYS 20 far 0 53 0 - 6.4-10.6 HG2 ARG 46 - HD3 LYS 47 far 0 33 0 - 6.7-9.3 HB3 LYS 66 - HD3 LYS 68 far 0 95 0 - 6.9-10.0 HG LEU 42 - HD3 LYS 39 far 0 61 0 - 6.9-8.3 HG LEU 42 - HD2 LYS 39 far 0 70 0 - 7.2-8.5 HB3 LYS 66 - HD2 LYS 68 far 0 96 0 - 7.6-9.7 HB2 LYS 12 - HD3 LYS 20 far 0 75 0 - 8.0-10.9 HG2 ARG 46 - HD2 LYS 39 far 0 63 0 - 8.0-13.7 HB2 LYS 12 - HD2 LYS 20 far 0 68 0 - 8.0-11.1 HG2 ARG 46 - HD3 LYS 39 far 0 55 0 - 8.4-13.1 HB3 LYS 66 - HD2 LYS 39 far 0 100 0 - 8.7-11.3 HB3 LYS 66 - HD3 LYS 39 far 0 94 0 - 9.0-11.9 HB2 LYS 20 - HD2 LYS 94 far 0 41 0 - 9.1-13.0 HB3 LEU 14 - HD3 LYS 20 far 0 36 0 - 9.2-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.4-12.5 HB VAL 54 - HD3 LYS 68 far 0 80 0 - 9.4-13.4 HB3 LEU 14 - HD2 LYS 20 far 0 32 0 - 9.4-12.5 HB3 LYS 12 - HD2 LYS 20 far 0 67 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 94 0 - 9.6-24.5 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 35 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=34...(62) HG2 LYS 39 + HD3 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=76, 1.8/1719=33...(69) HG3 LYS 68 + HD3 LYS 68 OK 92 95 100 97 2.2-3.0 3.0=76, 3038/1.8=15...(71) HG3 LYS 68 + HD2 LYS 68 OK 92 95 100 97 2.3-2.9 3.0=76, 3038/1.8=16...(68) HG2 LYS 94 + HD2 LYS 94 OK 52 56 100 93 2.2-3.0 3.0=75, 2.9/4191=9...(32) HG3 LYS 94 + HD2 LYS 94 OK 28 31 100 92 2.3-3.0 3.0=75, 2.9/4191=9...(32) HB2 LEU 70 - HD2 LYS 39 far 0 87 0 - 4.0-7.0 HG2 LYS 94 - HB3 ARG 91 far 0 60 0 - 4.3-8.2 QB ALA 67 - HD3 LYS 68 far 0 94 0 - 4.3-6.5 HB2 LEU 70 - HD3 LYS 39 far 0 78 0 - 4.7-7.5 HG3 LYS 94 - HB3 ARG 91 far 0 33 0 - 5.0-8.7 QB ALA 67 - HD2 LYS 68 far 0 94 0 - 5.3-6.6 QB ALA 89 - HB3 ARG 91 far 0 60 0 - 5.7-7.2 HB2 LYS 82 - HD3 LYS 68 far 0 95 0 - 5.9-9.4 QB ALA 25 - HD2 LYS 94 far 0 56 0 - 6.1-7.5 QB ALA 89 - HD3 LYS 20 far 0 74 0 - 6.8-10.1 HB2 LEU 70 - HD2 LYS 68 far 0 79 0 - 7.3-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 89 0 - 7.4-10.3 HB2 LYS 82 - HD2 LYS 68 far 0 95 0 - 7.5-10.1 HG3 LYS 40 - HD2 LYS 39 far 0 97 0 - 7.6-10.6 QB ALA 89 - HD2 LYS 20 far 0 67 0 - 7.6-10.1 QB ALA 89 - HD2 LYS 94 far 0 56 0 - 7.8-10.7 HB3 LEU 2 - HD3 LYS 47 far 0 60 0 - 8.0-14.2 HB3 LEU 2 - HD2 LYS 47 far 0 62 0 - 8.0-13.2 HB2 LEU 70 - HD3 LYS 68 far 0 79 0 - 8.0-10.7 QB ALA 67 - HD2 LYS 39 far 0 99 0 - 8.1-10.0 HG LEU 14 - HD3 LYS 20 far 0 74 0 - 8.5-13.2 HG3 LYS 40 - HD3 LYS 47 far 0 58 0 - 8.5-13.5 QB ALA 67 - HD3 LYS 39 far 0 93 0 - 8.6-10.2 HG LEU 14 - HD2 LYS 20 far 0 67 0 - 8.7-12.1 QB ALA 25 - HB3 ARG 91 far 0 60 0 - 8.8-10.3 QB ALA 25 - HD3 LYS 20 far 0 74 0 - 9.0-11.3 QB ALA 25 - HD2 LYS 20 far 0 67 0 - 9.2-11.2 HG LEU 14 - HB3 ARG 91 far 0 60 0 - 9.2-11.5 HG3 LYS 40 - HD2 LYS 47 far 0 61 0 - 9.3-14.3 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 40 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=75, 1720/1.8=34...(55) HG3 LYS 39 + HD3 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=75, 1719/1.8=34...(57) HG2 LYS 20 + HD3 LYS 20 OK 65 67 100 97 2.3-3.0 2.8=84, 848/5.3=10...(65) HG2 LYS 20 + HD2 LYS 20 OK 59 61 100 97 2.2-2.9 2.8=84, 848/5.3=10...(69) HG3 ARG 91 + HB3 ARG 91 OK 54 58 100 93 2.2-2.9 2.8=84, ~4016=15...(9) HG LEU 64 + HD3 LYS 68 OK 24 52 60 77 2.0-6.0 2.1/10242=19...(20) HG LEU 64 - HD2 LYS 68 poor 18 53 45 75 2.9-6.3 2.1/10264=16...(19) QB ALA 71 - HD2 LYS 68 far 0 68 0 - 3.6-8.0 QB ALA 71 - HD3 LYS 68 far 0 67 0 - 3.9-7.3 HG3 ARG 91 - HD2 LYS 94 far 0 54 0 - 4.5-7.9 HG LEU 38 - HD2 LYS 39 far 0 94 0 - 5.4-9.3 HG LEU 38 - HD3 LYS 39 far 0 85 0 - 5.4-9.8 HB2 LEU 38 - HD3 LYS 39 far 0 89 0 - 5.7-8.7 QB ALA 22 - HD3 LYS 20 far 0 74 0 - 6.0-8.8 HB2 LEU 38 - HD2 LYS 39 far 0 97 0 - 6.0-8.4 QB ALA 22 - HD2 LYS 20 far 0 67 0 - 6.1-8.7 QB ALA 71 - HD2 LYS 39 far 0 75 0 - 6.4-8.9 HG13 ILE 52 - HD2 LYS 47 far 0 59 0 - 6.8-11.5 QB ALA 71 - HD3 LYS 39 far 0 66 0 - 6.9-9.7 HG13 ILE 52 - HD3 LYS 47 far 0 57 0 - 7.5-12.1 HG13 ILE 76 - HD2 LYS 39 far 0 100 0 - 8.0-12.3 HG13 ILE 76 - HD3 LYS 39 far 0 94 0 - 8.1-11.8 HD3 LYS 40 - HD3 LYS 39 far 0 78 0 - 8.1-10.9 HD3 LYS 40 - HD2 LYS 39 far 0 87 0 - 8.4-12.1 HD2 LYS 82 - HD3 LYS 68 far 0 86 0 - 8.6-12.3 QB ALA 22 - HD2 LYS 94 far 0 56 0 - 8.7-10.7 HD2 LYS 40 - HD2 LYS 39 far 0 88 0 - 8.7-11.9 HG2 LYS 12 - HD2 LYS 20 far 0 67 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 67 0 - 8.9-12.4 HD2 LYS 40 - HD3 LYS 39 far 0 79 0 - 9.0-11.8 HG LEU 38 - HD2 LYS 68 far 0 87 0 - 9.0-13.9 HG2 LYS 13 - HD2 LYS 20 far 0 65 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 71 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 63 0 - 9.1-12.4 HG LEU 38 - HD3 LYS 68 far 0 86 0 - 9.1-14.0 HG LEU 29 - HD3 LYS 20 far 0 74 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 66 0 - 9.4-12.2 HD2 LYS 82 - HD2 LYS 68 far 0 87 0 - 9.7-13.2 HG2 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.8-13.3 QB ALA 22 - HB3 ARG 91 far 0 60 0 - 9.9-11.4 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=21...(36) HE3 LYS 39 + HD2 LYS 39 OK 99 100 100 100 2.2-3.0 3.0=97, 3.5/1719=21...(36) HE2 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.3-3.0 3.0=97, 3.5/1719=21...(36) HE3 LYS 39 + HD3 LYS 39 OK 93 94 100 100 2.2-3.0 3.0=97, 3.5/1719=21...(36) HE3 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(73) HE3 LYS 68 + HD3 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(74) HE2 LYS 68 + HD2 LYS 68 OK 52 53 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(73) 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 82 - HD3 LYS 68 far 0 88 0 - 7.3-12.3 HE3 LYS 82 - HD2 LYS 68 far 0 89 0 - 7.7-13.5 HE2 LYS 66 - HD2 LYS 68 far 0 79 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 69 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 68 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 77 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 79 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 69 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 87 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 78 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 83 0 - 9.6-14.6 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 25 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=21...(36) HE2 LYS 39 + HD2 LYS 39 OK 99 100 100 100 2.2-3.0 3.0=97, 3.5/1719=21...(36) HE3 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.2-3.0 3.0=97, 3.5/1719=21...(36) HE2 LYS 39 + HD3 LYS 39 OK 93 94 100 100 2.3-3.0 3.0=97, 3.5/1719=21...(36) HE3 LYS 68 + HD2 LYS 68 OK 67 68 100 100 2.2-3.0 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...(76) HE2 LYS 68 + HD2 LYS 68 OK 64 64 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(75) HE2 LYS 68 + HD3 LYS 68 OK 63 64 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(76) HE2 LYS 20 + HD3 LYS 20 OK 43 43 100 99 2.3-3.0 3.0=96, 2959/1.8=7...(48) HE3 LYS 20 + HD3 LYS 20 OK 41 42 100 99 2.3-3.0 3.0=96, 2959/1.8=7...(48) HE2 LYS 20 + HD2 LYS 20 OK 38 39 100 99 2.2-3.0 3.0=96, 2959/1.8=7...(48) HE3 LYS 20 + HD2 LYS 20 OK 37 37 100 99 2.2-3.0 3.0=96, 2959/1.8=7...(48) HE3 LYS 94 + HD2 LYS 94 OK 33 33 100 100 2.2-3.0 3.0=100 HE3 LYS 94 - HB3 ARG 91 far 0 35 0 - 4.6-8.8 HE3 LYS 82 - HD3 LYS 68 far 0 82 0 - 7.3-12.3 HE3 LYS 82 - HD2 LYS 68 far 0 82 0 - 7.7-13.5 HE2 LYS 66 - HD2 LYS 68 far 0 87 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 79 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 78 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 87 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 86 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 79 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 94 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 85 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 89 0 - 9.6-14.6 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 = 0.94: H LYS 39 + HD2 LYS 39 OK 80 95 85 100 4.5-5.7 6604/3.6=76, 6605/3.6=75...(20) * H LYS 39 + HD3 LYS 39 OK 70 100 70 100 4.5-5.9 6604/3.6=76, 6605/3.6=75...(19) H LYS 90 - HD2 LYS 94 far 0 50 0 - 6.6-10.0 H GLU 75 - HD2 LYS 39 far 0 93 0 - 7.8-11.1 H GLU 75 - HD3 LYS 39 far 0 100 0 - 8.4-10.6 H GLU 75 - HD2 LYS 68 far 0 89 0 - 8.5-13.2 H GLU 75 - HD3 LYS 68 far 0 90 0 - 9.5-13.2 Violated in 10 structures by 0.02 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 3.6-4.6 4.9=100 HA LYS 39 + HD2 LYS 39 OK 95 95 100 100 3.9-4.6 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): 2 out of 23 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-4.0 3.6=69, 1686/1.8=33...(58) HB2 LYS 39 + HD2 LYS 39 OK 94 95 100 100 2.4-4.0 3.6=69, 1687/1.8=33...(60) HB3 LYS 90 - HD2 LYS 94 far 0 52 0 - 4.2-9.7 HB2 LYS 90 - HD2 LYS 94 far 0 83 0 - 4.6-9.6 HB2 LEU 42 - HD3 LYS 39 far 0 99 0 - 5.0-6.5 HB2 LEU 42 - HD2 LYS 39 far 0 92 0 - 5.4-7.0 HB ILE 93 - HD2 LYS 94 far 0 88 0 - 6.0-8.2 HB ILE 56 - HD3 LYS 68 far 0 56 0 - 6.5-9.8 HB2 LYS 66 - HD2 LYS 39 far 0 65 0 - 7.1-9.6 HB3 LYS 82 - HD3 LYS 68 far 0 58 0 - 7.3-9.9 HB VAL 78 - HD3 LYS 68 far 0 81 0 - 7.5-12.6 HG3 ARG 46 - HD3 LYS 39 far 0 99 0 - 7.5-12.3 HB2 LYS 66 - HD3 LYS 39 far 0 73 0 - 7.5-10.3 HB ILE 56 - HD2 LYS 68 far 0 55 0 - 7.7-10.5 HB3 GLU 63 - HD3 LYS 68 far 0 79 0 - 7.8-11.1 HB2 LYS 66 - HD3 LYS 68 far 0 61 0 - 7.9-10.5 HG2 ARG 46 - HD2 LYS 39 far 0 73 0 - 8.0-13.7 HB VAL 78 - HD2 LYS 68 far 0 80 0 - 8.2-13.0 HB2 LYS 66 - HD2 LYS 68 far 0 60 0 - 8.3-9.8 HG2 ARG 46 - HD3 LYS 39 far 0 82 0 - 8.4-13.1 HB3 LYS 82 - HD2 LYS 68 far 0 57 0 - 8.5-11.1 HG3 ARG 46 - HD2 LYS 39 far 0 91 0 - 8.5-13.0 HB3 GLU 63 - HD2 LYS 68 far 0 78 0 - 8.9-11.6 Violated in 1 structures by 0.00 A. Peak 1738 from cnoeabs.peaks (1.86, 1.64, 29.36 ppm; 3.03 A): 6 out of 18 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.0-3.7 3.6=60, 1.8/1687=30...(41) HB3 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.0-3.8 3.6=60, 1.8/1687=29...(42) HB3 LYS 68 + HD2 LYS 68 OK 87 88 100 99 2.1-3.9 3.5=65, 1.8/3002=15...(70) HB3 LYS 68 + HD3 LYS 68 OK 75 89 85 99 2.3-4.1 3.5=65, 3.0/3055=17...(69) HB2 LYS 68 + HD3 LYS 68 OK 73 74 100 99 2.1-3.9 3.5=65, 3.0/3055=17...(72) HB2 LYS 68 + HD2 LYS 68 OK 72 73 100 99 2.0-3.8 3.5=65, ~3055=14...(73) HB3 LYS 90 - HD2 LYS 94 far 0 65 0 - 4.2-9.7 HB3 LYS 66 - HD3 LYS 68 far 0 91 0 - 6.9-10.0 HG LEU 42 - HD3 LYS 39 far 0 70 0 - 6.9-8.3 HG LEU 42 - HD2 LYS 39 far 0 61 0 - 7.2-8.5 HB3 LYS 66 - HD2 LYS 68 far 0 90 0 - 7.6-9.7 HG2 ARG 46 - HD2 LYS 39 far 0 55 0 - 8.0-13.7 HG2 ARG 46 - HD3 LYS 39 far 0 63 0 - 8.4-13.1 HB3 LYS 66 - HD2 LYS 39 far 0 94 0 - 8.7-11.3 HB3 LYS 66 - HD3 LYS 39 far 0 100 0 - 9.0-11.9 HB2 LYS 20 - HD2 LYS 94 far 0 67 0 - 9.1-13.0 HB VAL 54 - HD3 LYS 68 far 0 75 0 - 9.4-13.4 HB3 GLU 104 - HD3 LYS 68 far 0 89 0 - 9.6-24.5 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 20 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=34...(70) HG2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=75, 1.8/1720=33...(62) HG3 LYS 68 + HD3 LYS 68 OK 88 91 100 97 2.2-3.0 3.0=75, 3038/1.8=15...(71) HG3 LYS 68 + HD2 LYS 68 OK 87 90 100 97 2.3-2.9 3.0=75, 3038/1.8=15...(68) HG2 LYS 94 + HD2 LYS 94 OK 82 88 100 93 2.2-3.0 3.0=75, 2.9/4191=12...(33) HG3 LYS 94 + HD2 LYS 94 OK 48 52 100 92 2.3-3.0 3.0=75, 2.9/4191=12...(32) HB2 LEU 70 - HD2 LYS 39 far 0 78 0 - 4.0-7.0 QB ALA 67 - HD3 LYS 68 far 0 89 0 - 4.3-6.5 HB2 LEU 70 - HD3 LYS 39 far 0 87 0 - 4.7-7.5 QB ALA 67 - HD2 LYS 68 far 0 88 0 - 5.3-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 91 0 - 5.9-9.4 QB ALA 25 - HD2 LYS 94 far 0 88 0 - 6.1-7.5 HB2 LEU 70 - HD2 LYS 68 far 0 73 0 - 7.3-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 97 0 - 7.4-10.3 HB2 LYS 82 - HD2 LYS 68 far 0 90 0 - 7.5-10.1 HG3 LYS 40 - HD2 LYS 39 far 0 89 0 - 7.6-10.6 QB ALA 89 - HD2 LYS 94 far 0 88 0 - 7.8-10.7 HB2 LEU 70 - HD3 LYS 68 far 0 74 0 - 8.0-10.7 QB ALA 67 - HD2 LYS 39 far 0 93 0 - 8.1-10.0 QB ALA 67 - HD3 LYS 39 far 0 99 0 - 8.6-10.2 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 24 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=85, 1719/1.8=36...(58) HG3 LYS 39 + HD2 LYS 39 OK 94 95 100 100 2.3-3.0 3.0=85, 1720/1.8=36...(59) HG LEU 64 + HD3 LYS 68 OK 25 49 65 81 2.0-6.0 2.1/10242=23...(21) HG LEU 64 - HD2 LYS 68 poor 17 48 45 79 2.9-6.3 2.1/10242=16...(20) QB ALA 71 - HD2 LYS 68 far 6 62 10 - 3.6-8.0 QB ALA 71 - HD3 LYS 68 far 0 63 0 - 3.9-7.3 HG3 ARG 91 - HD2 LYS 94 far 0 85 0 - 4.5-7.9 HG LEU 38 - HD2 LYS 39 far 0 85 0 - 5.4-9.3 HG LEU 38 - HD3 LYS 39 far 0 94 0 - 5.4-9.8 HB2 LEU 38 - HD3 LYS 39 far 0 97 0 - 5.7-8.7 HB2 LEU 38 - HD2 LYS 39 far 0 89 0 - 6.0-8.4 QB ALA 71 - HD2 LYS 39 far 0 66 0 - 6.4-8.9 QB ALA 71 - HD3 LYS 39 far 0 75 0 - 6.9-9.7 HG13 ILE 76 - HD2 LYS 39 far 0 94 0 - 8.0-12.3 HG13 ILE 76 - HD3 LYS 39 far 0 100 0 - 8.1-11.8 HD3 LYS 40 - HD3 LYS 39 far 0 87 0 - 8.1-10.9 HD3 LYS 40 - HD2 LYS 39 far 0 78 0 - 8.4-12.1 HD2 LYS 82 - HD3 LYS 68 far 0 81 0 - 8.6-12.3 QB ALA 22 - HD2 LYS 94 far 0 88 0 - 8.7-10.7 HD2 LYS 40 - HD2 LYS 39 far 0 79 0 - 8.7-11.9 HD2 LYS 40 - HD3 LYS 39 far 0 88 0 - 9.0-11.8 HG LEU 38 - HD2 LYS 68 far 0 80 0 - 9.0-13.9 HG LEU 38 - HD3 LYS 68 far 0 81 0 - 9.1-14.0 HD2 LYS 82 - HD2 LYS 68 far 0 80 0 - 9.7-13.2 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 19 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=99 HE3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-3.0 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 2.2-3.0 3.0=98, 3.6/3036=9...(74) 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 2.2-3.0 3.0=98, 3.6/3036=9...(74) HE3 LYS 82 - HD3 LYS 68 far 0 84 0 - 7.3-12.3 HE3 LYS 82 - HD2 LYS 68 far 0 82 0 - 7.7-13.5 HE2 LYS 66 - HD2 LYS 68 far 0 73 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 63 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 77 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 68 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 74 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 65 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 78 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 87 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 78 0 - 9.6-14.6 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 2.2-3.0 3.0=99 HE2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.0 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...(77) HE3 LYS 68 + HD2 LYS 68 OK 62 62 100 100 2.2-3.0 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...(77) HE2 LYS 68 + HD2 LYS 68 OK 58 58 100 100 2.2-3.0 3.0=98, 3.6/3036=9...(76) HE3 LYS 94 + HD2 LYS 94 OK 55 55 100 100 2.2-3.0 3.0=100 HE3 LYS 82 - HD3 LYS 68 far 0 77 0 - 7.3-12.3 HE3 LYS 82 - HD2 LYS 68 far 0 76 0 - 7.7-13.5 HE2 LYS 66 - HD2 LYS 68 far 0 80 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 73 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 87 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 78 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 81 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 74 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 85 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 94 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 84 0 - 9.6-14.6 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 21 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-4.8 4.9=50, 1737/3.0=37...(66) HB2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.3-4.7 4.9=50, 1737/3.0=37...(64) HB2 LYS 66 + HE2 LYS 66 OK 46 46 100 100 2.3-4.8 4.7=57, 2943/2.9=34...(42) HB3 LYS 82 + HE3 LYS 82 OK 38 38 100 99 2.0-3.0 1.8/3657=56, 4.8=54...(17) HB2 LYS 66 + HE3 LYS 66 OK 31 35 90 100 2.5-5.3 4.7=57, 2943/2.9=34...(43) HB2 LEU 42 - HE3 LYS 39 far 0 98 0 - 4.8-7.7 HB3 GLU 63 - HE3 LYS 82 far 0 55 0 - 5.6-8.3 HB2 LEU 42 - HE2 LYS 39 far 0 99 0 - 5.8-7.7 HB2 LYS 66 - HE2 LYS 39 far 0 73 0 - 6.2-11.5 HB2 LYS 66 - HE3 LYS 39 far 0 71 0 - 6.4-11.4 HB2 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.3-12.9 HG2 ARG 46 - HE3 LYS 39 far 0 80 0 - 7.4-14.9 HB2 GLU 88 - HE3 LYS 82 far 0 62 0 - 7.6-10.8 HB2 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.6-13.2 HG3 ARG 46 - HE2 LYS 39 far 0 99 0 - 7.9-14.4 HB3 GLU 63 - HE3 LYS 66 far 0 48 0 - 8.3-9.7 HG3 ARG 46 - HE3 LYS 39 far 0 97 0 - 8.4-14.0 HG2 ARG 46 - HE2 LYS 39 far 0 82 0 - 8.6-15.2 HB3 GLU 63 - HE2 LYS 66 far 0 62 0 - 8.7-10.0 HB ILE 56 - HE3 LYS 82 far 0 37 0 - 9.1-11.5 HB3 LEU 57 - HE3 LYS 82 far 0 48 0 - 9.5-11.3 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 21 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.6 4.9=46, 1.8/1688=29...(42) HB3 LYS 39 + HE3 LYS 39 OK 89 99 90 100 2.3-4.7 4.9=46, 1.8/1688=29...(42) HB3 LYS 66 + HE3 LYS 66 OK 49 57 85 100 3.9-5.1 4.7=52, 2904/2.9=47...(43) HB3 LYS 66 + HE2 LYS 66 OK 40 73 55 100 3.7-5.2 4.7=52, 2904/2.9=47...(42) HG LEU 42 - HE3 LYS 39 far 0 68 0 - 7.0-9.1 HG LEU 42 - HE2 LYS 39 far 0 70 0 - 7.3-9.3 HB3 LYS 68 - HE3 LYS 66 far 0 55 0 - 7.3-11.1 HG2 ARG 46 - HE3 LYS 39 far 0 62 0 - 7.4-14.9 HB3 LYS 66 - HE2 LYS 39 far 0 100 0 - 7.9-13.0 HB3 LYS 68 - HE2 LYS 66 far 0 71 0 - 7.9-11.4 HB3 LYS 68 - HE3 LYS 82 far 0 63 0 - 8.0-13.5 HB3 LYS 66 - HE3 LYS 39 far 0 99 0 - 8.0-12.9 HB2 LYS 68 - HE3 LYS 66 far 0 44 0 - 8.1-11.5 HB2 LYS 68 - HE3 LYS 82 far 0 50 0 - 8.4-13.2 HB3 LYS 39 - HE3 LYS 66 far 0 57 0 - 8.5-14.5 HG2 ARG 46 - HE2 LYS 39 far 0 63 0 - 8.6-15.2 HB2 LYS 68 - HE2 LYS 66 far 0 57 0 - 8.7-11.9 HB3 LYS 66 - HE3 LYS 82 far 0 65 0 - 8.9-13.0 HB ILE 8 - HE3 LYS 82 far 0 39 0 - 9.2-11.3 HB3 LYS 39 - HE2 LYS 66 far 0 73 0 - 9.2-14.2 HB3 LEU 57 - HE3 LYS 82 far 0 33 0 - 9.5-11.3 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 20 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-4.0 3.5=90, 3.0/1688=19...(73) HG2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.2-4.1 3.5=90, 3.0/1688=19...(70) HB2 LYS 82 + HE3 LYS 82 OK 65 65 100 99 2.4-4.1 1.8/3668=50, 3657=41...(14) HB2 LEU 70 - HE2 LYS 39 far 13 87 15 - 3.6-8.1 HB2 LEU 70 - HE3 LYS 39 far 8 85 10 - 3.6-8.1 HB2 LEU 70 - HE3 LYS 66 far 0 44 0 - 4.8-10.6 HG3 LYS 40 - HE2 LYS 39 far 0 97 0 - 5.8-11.5 HB2 LEU 70 - HE2 LYS 66 far 0 57 0 - 6.0-10.0 QB ALA 67 - HE3 LYS 66 far 0 56 0 - 6.4-8.1 QB ALA 67 - HE2 LYS 66 far 0 71 0 - 6.8-8.1 QB ALA 67 - HE3 LYS 82 far 0 64 0 - 7.1-9.4 HG3 LYS 40 - HE3 LYS 39 far 0 96 0 - 7.3-11.5 HG3 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.4-11.6 HG3 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.7-10.4 QB ALA 67 - HE2 LYS 39 far 0 99 0 - 7.7-11.2 QB ALA 89 - HE3 LYS 82 far 0 64 0 - 8.0-11.2 HG3 LYS 68 - HE3 LYS 82 far 0 65 0 - 8.0-13.6 QB ALA 67 - HE3 LYS 39 far 0 98 0 - 8.3-11.5 HG2 LYS 39 - HE3 LYS 66 far 0 57 0 - 9.0-14.8 HG2 LYS 39 - HE2 LYS 66 far 0 73 0 - 9.1-13.4 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 2.0-4.1 3.5=85, 1719/3.0=33...(77) HG3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.0-3.7 3.5=85, 1719/3.0=33...(74) HD2 LYS 82 + HE3 LYS 82 OK 57 57 100 100 2.6-3.0 3.0=100 HB2 LEU 38 - HE2 LYS 39 far 0 97 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 94 0 - 4.4-10.4 HG LEU 64 - HE3 LYS 82 far 0 32 0 - 4.6-8.6 HG LEU 38 - HE3 LYS 39 far 0 92 0 - 5.3-9.8 HB2 LEU 38 - HE3 LYS 39 far 0 96 0 - 5.5-10.4 QB ALA 71 - HE3 LYS 39 far 0 73 0 - 6.7-10.4 HB2 LEU 38 - HE3 LYS 66 far 0 52 0 - 6.7-13.3 QB ALA 71 - HE2 LYS 39 far 0 75 0 - 6.8-10.3 HB2 LEU 38 - HE2 LYS 66 far 0 68 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 49 0 - 7.1-12.2 HD3 LYS 40 - HE2 LYS 39 far 0 87 0 - 7.2-13.0 HG3 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.3-13.2 HD2 LYS 40 - HE3 LYS 39 far 0 86 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 88 0 - 7.4-12.5 HG LEU 38 - HE2 LYS 66 far 0 64 0 - 7.4-12.5 HD3 LYS 40 - HE3 LYS 39 far 0 85 0 - 7.4-12.2 HG3 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.5-12.7 HG13 ILE 76 - HE3 LYS 39 far 0 99 0 - 7.6-13.0 HG LEU 64 - HE3 LYS 66 far 0 27 0 - 7.7-10.7 HG13 ILE 76 - HE2 LYS 39 far 0 100 0 - 7.7-12.8 QB ALA 71 - HE3 LYS 66 far 0 36 0 - 7.8-11.3 HG LEU 64 - HE2 LYS 66 far 0 36 0 - 8.7-10.5 QB ALA 71 - HE2 LYS 66 far 0 48 0 - 8.9-10.9 HG12 ILE 7 - HE3 LYS 82 far 0 58 0 - 10.0-11.9 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 31 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=20...(40) HD2 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1719/3.5=20...(39) HD3 LYS 39 + HE2 LYS 39 OK 97 98 100 99 2.3-3.0 3.0=91, 1719/3.5=20...(40) HD3 LYS 39 + HE3 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1719/3.5=20...(39) HD3 LYS 73 - HE2 LYS 39 far 5 99 5 - 3.8-12.3 HD2 LYS 73 - HE2 LYS 39 far 5 98 5 - 3.6-10.8 HD2 LYS 73 - HE3 LYS 39 far 5 96 5 - 3.7-10.4 HD3 LYS 73 - HE3 LYS 39 far 0 97 0 - 3.9-11.1 HB2 LYS 40 - HE2 LYS 39 far 0 99 0 - 4.9-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 98 0 - 5.7-9.6 HD2 LYS 73 - HE3 LYS 66 far 0 53 0 - 6.2-14.4 HB3 LYS 40 - HE2 LYS 39 far 0 79 0 - 6.2-10.2 HB3 LYS 40 - HE3 LYS 39 far 0 77 0 - 6.5-9.9 HD3 LYS 73 - HE2 LYS 66 far 0 70 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 54 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 54 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 69 0 - 7.2-12.2 HD3 LYS 68 - HE3 LYS 82 far 0 65 0 - 7.3-12.3 HD2 LYS 73 - HE2 LYS 66 far 0 68 0 - 7.3-12.8 HG2 LYS 68 - HE3 LYS 82 far 0 61 0 - 7.7-12.2 HD2 LYS 68 - HE3 LYS 82 far 0 65 0 - 7.7-13.5 HD2 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.9-11.7 HB ILE 76 - HE3 LYS 39 far 0 98 0 - 8.1-12.5 HB ILE 76 - HE2 LYS 39 far 0 99 0 - 8.2-12.3 HD3 LYS 39 - HE3 LYS 66 far 0 53 0 - 8.5-13.0 HD2 LYS 39 - HE3 LYS 66 far 0 57 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 57 0 - 9.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 73 0 - 9.5-12.2 HD3 LYS 39 - HE2 LYS 66 far 0 68 0 - 9.6-12.8 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 29 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=91, 1720/3.5=20...(40) HD3 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1720/3.5=20...(39) HD2 LYS 39 + HE2 LYS 39 OK 97 98 100 99 2.2-3.0 3.0=91, 1720/3.5=20...(40) HD2 LYS 39 + HE3 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1720/3.5=20...(39) HD3 LYS 73 - HE2 LYS 39 far 4 87 5 - 3.8-12.3 HD2 LYS 73 - HE2 LYS 39 far 4 84 5 - 3.6-10.8 HD2 LYS 73 - HE3 LYS 39 far 4 82 5 - 3.7-10.4 HD3 LYS 73 - HE3 LYS 39 far 0 85 0 - 3.9-11.1 HB2 LYS 40 - HE2 LYS 39 far 0 100 0 - 4.9-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 99 0 - 5.7-9.6 HD2 LYS 73 - HE3 LYS 66 far 0 42 0 - 6.2-14.4 HD3 LYS 73 - HE2 LYS 66 far 0 57 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 44 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.2-12.2 HD3 LYS 68 - HE3 LYS 82 far 0 63 0 - 7.3-12.3 HD2 LYS 73 - HE2 LYS 66 far 0 55 0 - 7.3-12.8 HG2 LYS 68 - HE3 LYS 82 far 0 65 0 - 7.7-12.2 HD2 LYS 68 - HE3 LYS 82 far 0 62 0 - 7.7-13.5 HD2 LYS 68 - HE2 LYS 66 far 0 70 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 54 0 - 7.9-11.7 HB ILE 76 - HE3 LYS 39 far 0 99 0 - 8.1-12.5 HB ILE 76 - HE2 LYS 39 far 0 100 0 - 8.2-12.3 HD3 LYS 39 - HE3 LYS 66 far 0 57 0 - 8.5-13.0 HD2 LYS 39 - HE3 LYS 66 far 0 53 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 70 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 55 0 - 9.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 68 0 - 9.5-12.2 HD3 LYS 39 - HE2 LYS 66 far 0 73 0 - 9.6-12.8 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 = 0.98: * H LYS 39 + HE3 LYS 39 OK 90 100 90 100 3.7-6.9 1713/3.5=86, 1702/3.5=79...(16) H LYS 39 + HE2 LYS 39 OK 80 99 80 100 3.4-6.7 1713/3.5=86, 1702/3.5=79...(17) H GLU 75 - HE2 LYS 39 far 0 99 0 - 7.0-11.8 H GLU 75 - HE3 LYS 39 far 0 100 0 - 7.2-12.3 H LYS 39 - HE3 LYS 66 far 0 73 0 - 8.0-13.6 H LYS 39 - HE2 LYS 66 far 0 87 0 - 8.1-13.6 Violated in 3 structures by 0.00 A. Peak 1759 from cnoeabs.peaks (1.80, 2.88, 41.80 ppm; 3.91 A): 5 out of 21 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-4.7 4.9=50, 1737/3.0=37...(64) HB2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-4.8 4.9=50, 1737/3.0=37...(66) HB2 LYS 66 + HE2 LYS 66 OK 57 57 100 100 2.3-4.8 4.7=57, 2943/2.9=34...(42) HB2 LYS 66 + HE3 LYS 66 OK 42 46 90 100 2.5-5.3 4.7=57, 1.8/2906=35...(43) HB3 LYS 82 + HE3 LYS 82 OK 31 31 100 99 2.0-3.0 4.8=54, 1.8/3657=51...(17) HB2 LEU 42 - HE3 LYS 39 far 0 99 0 - 4.8-7.7 HB3 GLU 63 - HE3 LYS 82 far 0 45 0 - 5.6-8.3 HB2 LEU 42 - HE2 LYS 39 far 0 98 0 - 5.8-7.7 HB2 LYS 66 - HE2 LYS 39 far 0 71 0 - 6.2-11.5 HB2 LYS 66 - HE3 LYS 39 far 0 73 0 - 6.4-11.4 HB2 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.3-12.9 HG2 ARG 46 - HE3 LYS 39 far 0 82 0 - 7.4-14.9 HB2 GLU 88 - HE3 LYS 82 far 0 52 0 - 7.6-10.8 HB2 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.6-13.2 HG3 ARG 46 - HE2 LYS 39 far 0 97 0 - 7.9-14.4 HB3 GLU 63 - HE3 LYS 66 far 0 62 0 - 8.3-9.7 HG3 ARG 46 - HE3 LYS 39 far 0 99 0 - 8.4-14.0 HG2 ARG 46 - HE2 LYS 39 far 0 80 0 - 8.6-15.2 HB3 GLU 63 - HE2 LYS 66 far 0 75 0 - 8.7-10.0 HB ILE 56 - HE3 LYS 82 far 0 30 0 - 9.1-11.5 HB3 LEU 57 - HE3 LYS 82 far 0 40 0 - 9.5-11.3 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 21 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.3-4.6 4.9=46, 1.8/1689=29...(42) * HB3 LYS 39 + HE3 LYS 39 OK 90 100 90 100 2.3-4.7 4.9=46, 1.8/1689=29...(42) HB3 LYS 66 + HE3 LYS 66 OK 62 73 85 100 3.9-5.1 4.7=52, 2904/2.9=47...(43) HB3 LYS 66 + HE2 LYS 66 OK 48 87 55 100 3.7-5.2 4.7=52, 2904/2.9=47...(42) HG LEU 42 - HE3 LYS 39 far 0 70 0 - 7.0-9.1 HG LEU 42 - HE2 LYS 39 far 0 68 0 - 7.3-9.3 HB3 LYS 68 - HE3 LYS 66 far 0 71 0 - 7.3-11.1 HG2 ARG 46 - HE3 LYS 39 far 0 63 0 - 7.4-14.9 HB3 LYS 66 - HE2 LYS 39 far 0 99 0 - 7.9-13.0 HB3 LYS 68 - HE2 LYS 66 far 0 84 0 - 7.9-11.4 HB3 LYS 68 - HE3 LYS 82 far 0 53 0 - 8.0-13.5 HB3 LYS 66 - HE3 LYS 39 far 0 100 0 - 8.0-12.9 HB2 LYS 68 - HE3 LYS 66 far 0 57 0 - 8.1-11.5 HB2 LYS 68 - HE3 LYS 82 far 0 42 0 - 8.4-13.2 HB3 LYS 39 - HE3 LYS 66 far 0 73 0 - 8.5-14.5 HG2 ARG 46 - HE2 LYS 39 far 0 62 0 - 8.6-15.2 HB2 LYS 68 - HE2 LYS 66 far 0 70 0 - 8.7-11.9 HB3 LYS 66 - HE3 LYS 82 far 0 55 0 - 8.9-13.0 HB ILE 8 - HE3 LYS 82 far 0 32 0 - 9.2-11.3 HB3 LYS 39 - HE2 LYS 66 far 0 87 0 - 9.2-14.2 HB3 LEU 57 - HE3 LYS 82 far 0 27 0 - 9.5-11.3 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 20 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.1 3.5=90, 3.0/1689=19...(70) HG2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.2-4.0 3.5=90, 3.0/1689=19...(73) HB2 LYS 82 + HE3 LYS 82 OK 54 55 100 99 2.4-4.1 1.8/3668=46, 3657=38...(14) HB2 LEU 70 - HE2 LYS 39 far 13 85 15 - 3.6-8.1 HB2 LEU 70 - HE3 LYS 39 far 9 87 10 - 3.6-8.1 HB2 LEU 70 - HE3 LYS 66 far 0 57 0 - 4.8-10.6 HG3 LYS 40 - HE2 LYS 39 far 0 96 0 - 5.8-11.5 HB2 LEU 70 - HE2 LYS 66 far 0 70 0 - 6.0-10.0 QB ALA 67 - HE3 LYS 66 far 0 71 0 - 6.4-8.1 QB ALA 67 - HE2 LYS 66 far 0 85 0 - 6.8-8.1 QB ALA 67 - HE3 LYS 82 far 0 53 0 - 7.1-9.4 HG3 LYS 40 - HE3 LYS 39 far 0 97 0 - 7.3-11.5 HG3 LYS 68 - HE2 LYS 66 far 0 86 0 - 7.4-11.6 HG3 LYS 68 - HE3 LYS 66 far 0 73 0 - 7.7-10.4 QB ALA 67 - HE2 LYS 39 far 0 98 0 - 7.7-11.2 QB ALA 89 - HE3 LYS 82 far 0 54 0 - 8.0-11.2 HG3 LYS 68 - HE3 LYS 82 far 0 54 0 - 8.0-13.6 QB ALA 67 - HE3 LYS 39 far 0 99 0 - 8.3-11.5 HG2 LYS 39 - HE3 LYS 66 far 0 73 0 - 9.0-14.8 HG2 LYS 39 - HE2 LYS 66 far 0 87 0 - 9.1-13.4 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 2.0-3.7 3.5=85, 1719/3.0=33...(74) HG3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-4.1 3.5=85, 1719/3.0=33...(77) HD2 LYS 82 + HE3 LYS 82 OK 47 47 100 100 2.6-3.0 3.0=100 HB2 LEU 38 - HE2 LYS 39 far 0 96 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 92 0 - 4.4-10.4 HG LEU 64 - HE3 LYS 82 far 0 26 0 - 4.6-8.6 HG LEU 38 - HE3 LYS 39 far 0 94 0 - 5.3-9.8 HB2 LEU 38 - HE3 LYS 39 far 0 97 0 - 5.5-10.4 QB ALA 71 - HE3 LYS 39 far 0 75 0 - 6.7-10.4 HB2 LEU 38 - HE3 LYS 66 far 0 68 0 - 6.7-13.3 QB ALA 71 - HE2 LYS 39 far 0 73 0 - 6.8-10.3 HB2 LEU 38 - HE2 LYS 66 far 0 81 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 64 0 - 7.1-12.2 HD3 LYS 40 - HE2 LYS 39 far 0 85 0 - 7.2-13.0 HG3 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.3-13.2 HD2 LYS 40 - HE3 LYS 39 far 0 88 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 86 0 - 7.4-12.5 HG LEU 38 - HE2 LYS 66 far 0 77 0 - 7.4-12.5 HD3 LYS 40 - HE3 LYS 39 far 0 87 0 - 7.4-12.2 HG3 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.5-12.7 HG13 ILE 76 - HE3 LYS 39 far 0 100 0 - 7.6-13.0 HG LEU 64 - HE3 LYS 66 far 0 36 0 - 7.7-10.7 HG13 ILE 76 - HE2 LYS 39 far 0 99 0 - 7.7-12.8 QB ALA 71 - HE3 LYS 66 far 0 48 0 - 7.8-11.3 HG LEU 64 - HE2 LYS 66 far 0 45 0 - 8.7-10.5 QB ALA 71 - HE2 LYS 66 far 0 59 0 - 8.9-10.9 HG12 ILE 7 - HE3 LYS 82 far 0 48 0 - 10.0-11.9 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 31 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=20...(39) HD2 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1719/3.5=20...(40) HD3 LYS 39 + HE3 LYS 39 OK 97 98 100 99 2.2-3.0 3.0=91, 1719/3.5=20...(39) HD3 LYS 39 + HE2 LYS 39 OK 95 96 100 99 2.3-3.0 3.0=91, 1719/3.5=20...(40) HD2 LYS 73 - HE3 LYS 39 far 5 98 5 - 3.7-10.4 HD3 LYS 73 - HE2 LYS 39 far 5 97 5 - 3.8-12.3 HD2 LYS 73 - HE2 LYS 39 far 5 96 5 - 3.6-10.8 HD3 LYS 73 - HE3 LYS 39 far 0 99 0 - 3.9-11.1 HB2 LYS 40 - HE2 LYS 39 far 0 98 0 - 4.9-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 99 0 - 5.7-9.6 HD2 LYS 73 - HE3 LYS 66 far 0 68 0 - 6.2-14.4 HB3 LYS 40 - HE2 LYS 39 far 0 77 0 - 6.2-10.2 HB3 LYS 40 - HE3 LYS 39 far 0 79 0 - 6.5-9.9 HD3 LYS 73 - HE2 LYS 66 far 0 83 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 70 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 69 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 83 0 - 7.2-12.2 HD3 LYS 68 - HE3 LYS 82 far 0 54 0 - 7.3-12.3 HD2 LYS 73 - HE2 LYS 66 far 0 82 0 - 7.3-12.8 HG2 LYS 68 - HE3 LYS 82 far 0 51 0 - 7.7-12.2 HD2 LYS 68 - HE3 LYS 82 far 0 55 0 - 7.7-13.5 HD2 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 73 0 - 7.9-11.7 HB ILE 76 - HE3 LYS 39 far 0 99 0 - 8.1-12.5 HB ILE 76 - HE2 LYS 39 far 0 98 0 - 8.2-12.3 HD3 LYS 39 - HE3 LYS 66 far 0 68 0 - 8.5-13.0 HD2 LYS 39 - HE3 LYS 66 far 0 73 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 87 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 73 0 - 9.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 87 0 - 9.5-12.2 HD3 LYS 39 - HE2 LYS 66 far 0 82 0 - 9.6-12.8 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 29 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=91, 1720/3.5=20...(39) HD3 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.3-3.0 3.0=91, 1720/3.5=20...(40) HD2 LYS 39 + HE3 LYS 39 OK 97 98 100 99 2.2-3.0 3.0=91, 1720/3.5=20...(39) HD2 LYS 39 + HE2 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1720/3.5=20...(40) HD3 LYS 73 - HE2 LYS 39 far 4 85 5 - 3.8-12.3 HD2 LYS 73 - HE3 LYS 39 far 4 84 5 - 3.7-10.4 HD2 LYS 73 - HE2 LYS 39 far 4 82 5 - 3.6-10.8 HD3 LYS 73 - HE3 LYS 39 far 0 87 0 - 3.9-11.1 HB2 LYS 40 - HE2 LYS 39 far 0 99 0 - 4.9-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 100 0 - 5.7-9.6 HD2 LYS 73 - HE3 LYS 66 far 0 55 0 - 6.2-14.4 HD3 LYS 73 - HE2 LYS 66 far 0 70 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 57 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 73 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.2-12.2 HD3 LYS 68 - HE3 LYS 82 far 0 52 0 - 7.3-12.3 HD2 LYS 73 - HE2 LYS 66 far 0 67 0 - 7.3-12.8 HG2 LYS 68 - HE3 LYS 82 far 0 55 0 - 7.7-12.2 HD2 LYS 68 - HE3 LYS 82 far 0 52 0 - 7.7-13.5 HD2 LYS 68 - HE2 LYS 66 far 0 83 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 70 0 - 7.9-11.7 HB ILE 76 - HE3 LYS 39 far 0 100 0 - 8.1-12.5 HB ILE 76 - HE2 LYS 39 far 0 99 0 - 8.2-12.3 HD3 LYS 39 - HE3 LYS 66 far 0 73 0 - 8.5-13.0 HD2 LYS 39 - HE3 LYS 66 far 0 68 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 84 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 70 0 - 9.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 82 0 - 9.5-12.2 HD3 LYS 39 - HE2 LYS 66 far 0 87 0 - 9.6-12.8 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): 2 out of 7 assignments used, quality = 1.00: * H LYS 40 + HA LYS 40 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 44 + HA GLU 43 OK 54 55 100 99 3.5-3.6 3.6=87, 6697/2.9=41...(12) H GLU 44 - HA LYS 40 far 0 75 0 - 4.6-5.4 H LYS 40 - HA GLU 35 far 0 62 0 - 5.9-6.9 H LYS 40 - HA GLU 43 far 0 82 0 - 7.2-7.8 H GLU 48 - HA GLU 43 far 0 73 0 - 7.2-8.3 H GLU 98 - HA ARG 91 far 0 53 0 - 8.4-9.4 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): 3 out of 31 assignments used, quality = 1.00: * HB2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 40 + HA LYS 40 OK 63 63 100 100 2.2-3.0 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 poor 16 54 30 - 2.7-5.1 HD2 LYS 39 - HA LYS 40 far 0 99 0 - 5.1-7.8 HG3 LYS 47 - HA GLU 43 far 0 65 0 - 5.4-7.9 HD3 LYS 39 - HA LYS 40 far 0 100 0 - 5.8-7.3 HB ILE 76 - HA GLU 43 far 0 82 0 - 5.8-7.6 HD3 LYS 39 - HA GLU 35 far 0 61 0 - 5.9-9.0 HD3 LYS 47 - HA GLU 43 far 0 48 0 - 6.0-8.9 HD2 LYS 39 - HA GLU 35 far 0 60 0 - 6.0-9.0 HD2 LYS 47 - HA GLU 43 far 0 50 0 - 6.1-9.3 HD3 LYS 39 - HA GLU 43 far 0 81 0 - 6.5-9.1 HB2 LYS 40 - HA GLU 35 far 0 62 0 - 7.1-8.4 HD2 LYS 39 - HA GLU 43 far 0 80 0 - 7.2-9.6 HD3 LYS 73 - HA GLU 35 far 0 52 0 - 7.5-14.4 HB3 LYS 40 - HA GLU 43 far 0 45 0 - 7.7-8.4 HB3 LYS 40 - HA GLU 35 far 0 32 0 - 7.8-9.2 HB3 LEU 6 - HA GLU 35 far 0 61 0 - 8.0-10.5 HB2 LYS 40 - HA GLU 43 far 0 82 0 - 8.1-8.6 HD2 LYS 73 - HA GLU 35 far 0 50 0 - 8.2-14.8 HD2 LYS 47 - HA LYS 40 far 0 70 0 - 8.4-12.7 HD2 LYS 73 - HA GLU 43 far 0 69 0 - 8.7-13.9 HD3 LYS 47 - HA LYS 40 far 0 68 0 - 8.8-12.0 HG3 LYS 20 - HA ARG 91 far 0 47 0 - 8.9-14.6 HG3 LYS 47 - HA LYS 40 far 0 87 0 - 9.4-11.8 HB ILE 52 - HA GLU 43 far 0 65 0 - 9.5-11.5 HD3 LYS 73 - HA GLU 43 far 0 71 0 - 9.5-14.3 HD3 LYS 73 - HA LYS 40 far 0 93 0 - 9.7-16.0 HG2 LYS 68 - HA GLU 35 far 0 61 0 - 9.7-13.6 HB3 LEU 6 - HA LYS 40 far 0 100 0 - 9.8-11.9 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 2.2-3.0 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 2.4-3.0 3.0=100 HD3 LYS 90 + HA ARG 91 OK 25 63 50 81 2.9-7.4 ~7437=21, ~3978=17...(19) HG LEU 70 - HA GLU 35 far 0 56 0 - 4.3-7.1 HD2 LYS 39 - HA LYS 40 far 0 79 0 - 5.1-7.8 HB3 LEU 70 - HA GLU 35 far 0 38 0 - 5.1-7.3 HD3 LYS 66 - HA GLU 35 far 0 53 0 - 5.4-9.3 HB ILE 76 - HA GLU 43 far 0 42 0 - 5.8-7.6 HD3 LYS 47 - HA GLU 43 far 0 82 0 - 6.0-8.9 HD2 LYS 39 - HA GLU 35 far 0 42 0 - 6.0-9.0 HD2 LYS 47 - HA GLU 43 far 0 82 0 - 6.1-9.3 HB2 LYS 40 - HA GLU 35 far 0 32 0 - 7.1-8.4 HD2 LYS 39 - HA GLU 43 far 0 58 0 - 7.2-9.6 HD3 LYS 73 - HA GLU 35 far 0 53 0 - 7.5-14.4 HB3 LYS 40 - HA GLU 43 far 0 82 0 - 7.7-8.4 HB3 LYS 40 - HA GLU 35 far 0 62 0 - 7.8-9.2 HB3 LEU 6 - HA GLU 35 far 0 34 0 - 8.0-10.5 HB2 LYS 40 - HA GLU 43 far 0 45 0 - 8.1-8.6 HB3 LEU 70 - HA LYS 40 far 0 73 0 - 8.1-10.8 HD2 LYS 73 - HA GLU 35 far 0 55 0 - 8.2-14.8 HB3 LEU 70 - HA GLU 43 far 0 53 0 - 8.2-11.4 HD2 LYS 47 - HA LYS 40 far 0 100 0 - 8.4-12.7 HD2 LYS 73 - HA GLU 43 far 0 74 0 - 8.7-13.9 HD3 LYS 47 - HA LYS 40 far 0 100 0 - 8.8-12.0 HG3 LYS 20 - HA ARG 91 far 0 65 0 - 8.9-14.6 HG LEU 70 - HA LYS 40 far 0 96 0 - 9.0-11.5 HB ILE 52 - HA GLU 43 far 0 77 0 - 9.5-11.5 HD3 LYS 73 - HA GLU 43 far 0 72 0 - 9.5-14.3 HD3 LYS 73 - HA LYS 40 far 0 94 0 - 9.7-16.0 HB3 LEU 6 - HA LYS 40 far 0 68 0 - 9.8-11.9 HG2 PRO 86 - HA ARG 91 far 0 65 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 1772 from cnoeabs.peaks (1.16, 3.86, 58.99 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.7-3.6 3.8=100 QG2 THR 34 - HA GLU 35 far 0 54 0 - 5.6-5.7 HG2 LYS 40 - HA GLU 43 far 0 82 0 - 7.0-8.3 HB2 LEU 6 - HA GLU 35 far 0 49 0 - 8.0-9.9 QG2 THR 34 - HA LYS 40 far 0 95 0 - 9.5-10.2 HG2 LYS 40 - HA GLU 35 far 0 62 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 1773 from cnoeabs.peaks (1.36, 3.86, 58.99 ppm; 3.66 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 40 + HA LYS 40 OK 100 100 100 100 2.1-3.7 3.8=91, 6632/2.9=56...(23) HG3 LYS 94 + HA ARG 91 OK 21 54 50 76 3.3-5.8 2.9/4198=23, 2.9/4186=19...(12) HG2 LYS 94 - HA ARG 91 poor 18 56 40 78 2.1-5.3 2.9/4198=23, 2.9/4186=19...(15) HG2 LYS 39 - HA LYS 40 far 5 97 5 - 4.2-6.7 QB ALA 67 - HA GLU 35 far 0 49 0 - 4.9-6.6 HG2 LYS 39 - HA GLU 35 far 0 56 0 - 5.1-8.2 HB2 LEU 70 - HA GLU 35 far 0 59 0 - 5.3-7.5 HG2 LYS 39 - HA GLU 43 far 0 76 0 - 5.5-8.3 HG12 ILE 8 - HA GLU 35 far 0 61 0 - 5.7-7.8 QB ALA 89 - HA ARG 91 far 0 56 0 - 6.5-6.8 HG3 LYS 40 - HA GLU 43 far 0 82 0 - 6.9-8.3 QB ALA 25 - HA ARG 91 far 0 56 0 - 7.0-8.2 HB2 LEU 70 - HA LYS 40 far 0 99 0 - 8.5-10.1 HB2 LEU 70 - HA GLU 43 far 0 79 0 - 8.7-10.6 HG3 LYS 40 - HA GLU 35 far 0 62 0 - 8.9-10.7 HB3 ARG 30 - HA LYS 40 far 0 98 0 - 9.9-11.3 Violated in 1 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (1.46, 3.86, 58.99 ppm; 3.31 A): 4 out of 29 assignments used, quality = 0.94: HG3 ARG 91 + HA ARG 91 OK 62 63 100 98 2.9-3.8 4.0=57, 4061/3.6=28...(24) HB2 ARG 91 + HA ARG 91 OK 54 54 100 100 2.3-3.0 3.0=100 HG LEU 38 + HA GLU 35 OK 41 61 85 80 2.4-4.4 1643=19, 3.0/1635=17...(22) HB2 LEU 38 + HA GLU 35 OK 37 59 70 88 2.3-5.3 1627=24, 1.8/1635=22...(20) ! HD2 LYS 40 - HA LYS 40 far 10 100 10 - 3.8-5.2 HD3 LYS 40 - HA LYS 40 far 10 100 10 - 4.0-5.2 HG3 LYS 39 - HA LYS 40 far 4 88 5 - 3.2-6.7 HG13 ILE 76 - HA GLU 43 far 0 59 0 - 4.6-6.3 HG3 LYS 39 - HA GLU 35 far 0 48 0 - 4.7-7.4 HG3 LYS 66 - HA GLU 35 far 0 42 0 - 4.9-8.0 HG2 LYS 47 - HA GLU 43 far 0 61 0 - 5.0-9.4 HG2 LYS 66 - HA GLU 35 far 0 44 0 - 6.2-9.4 HG3 LYS 39 - HA GLU 43 far 0 66 0 - 6.5-9.3 HG LEU 38 - HA LYS 40 far 0 100 0 - 7.0-9.6 HB2 LEU 38 - HA LYS 40 far 0 99 0 - 7.2-8.4 QB ALA 22 - HA ARG 91 far 0 46 0 - 8.4-10.3 HG LEU 57 - HA ARG 91 far 0 35 0 - 8.5-9.7 HD3 LYS 40 - HA GLU 35 far 0 62 0 - 8.5-11.1 HG2 LYS 73 - HA GLU 43 far 0 59 0 - 8.7-13.1 HD2 LYS 40 - HA GLU 43 far 0 82 0 - 8.8-10.3 HD2 LYS 40 - HA GLU 35 far 0 62 0 - 8.9-11.4 HG13 ILE 52 - HA GLU 43 far 0 80 0 - 9.0-11.2 HG2 LYS 47 - HA LYS 40 far 0 82 0 - 9.0-13.3 HG2 LYS 20 - HA ARG 91 far 0 66 0 - 9.3-14.5 HD3 LYS 40 - HA GLU 43 far 0 82 0 - 9.6-10.4 HB2 LEU 38 - HA GLU 43 far 0 79 0 - 9.7-11.4 HG2 LYS 73 - HA GLU 35 far 0 43 0 - 9.7-12.4 HG LEU 38 - HA GLU 43 far 0 81 0 - 9.8-11.9 HG13 ILE 76 - HA LYS 40 far 0 81 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (1.47, 3.86, 58.99 ppm; 3.31 A): 4 out of 30 assignments used, quality = 0.94: HG3 ARG 91 + HA ARG 91 OK 61 63 100 98 2.9-3.8 4.0=57, 4061/3.6=28...(24) HB2 ARG 91 + HA ARG 91 OK 55 55 100 100 2.3-3.0 3.0=100 HG LEU 38 + HA GLU 35 OK 41 61 85 80 2.4-4.4 1643=19, 3.0/1635=17...(22) HB2 LEU 38 + HA GLU 35 OK 36 59 70 88 2.3-5.3 1627=24, 1.8/1635=22...(20) HD2 LYS 40 - HA LYS 40 far 10 100 10 - 3.8-5.2 ! HD3 LYS 40 - HA LYS 40 far 10 100 10 - 4.0-5.2 HG3 LYS 39 - HA LYS 40 far 4 87 5 - 3.2-6.7 HG13 ILE 76 - HA GLU 43 far 0 58 0 - 4.6-6.3 HG3 LYS 39 - HA GLU 35 far 0 47 0 - 4.7-7.4 HG3 LYS 66 - HA GLU 35 far 0 43 0 - 4.9-8.0 HG2 LYS 47 - HA GLU 43 far 0 62 0 - 5.0-9.4 HG2 LYS 66 - HA GLU 35 far 0 45 0 - 6.2-9.4 HG3 LYS 39 - HA GLU 43 far 0 65 0 - 6.5-9.3 HG LEU 38 - HA LYS 40 far 0 100 0 - 7.0-9.6 HB2 LEU 38 - HA LYS 40 far 0 99 0 - 7.2-8.4 QB ALA 22 - HA ARG 91 far 0 45 0 - 8.4-10.3 HG LEU 57 - HA ARG 91 far 0 37 0 - 8.5-9.7 HD3 LYS 40 - HA GLU 35 far 0 62 0 - 8.5-11.1 HG2 LYS 73 - HA GLU 43 far 0 61 0 - 8.7-13.1 HD2 LYS 40 - HA GLU 43 far 0 82 0 - 8.8-10.3 HD2 LYS 40 - HA GLU 35 far 0 62 0 - 8.9-11.4 HG3 LYS 33 - HA GLU 35 far 0 30 0 - 9.0-9.3 HG13 ILE 52 - HA GLU 43 far 0 80 0 - 9.0-11.2 HG2 LYS 47 - HA LYS 40 far 0 84 0 - 9.0-13.3 HG2 LYS 20 - HA ARG 91 far 0 65 0 - 9.3-14.5 HD3 LYS 40 - HA GLU 43 far 0 82 0 - 9.6-10.4 HB2 LEU 38 - HA GLU 43 far 0 79 0 - 9.7-11.4 HG2 LYS 73 - HA GLU 35 far 0 44 0 - 9.7-12.4 HG LEU 38 - HA GLU 43 far 0 81 0 - 9.8-11.9 HG13 ILE 76 - HA LYS 40 far 0 79 0 - 10.0-11.5 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 7 assignments used, quality = 1.00: * H TYR 41 + HA LYS 40 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 41 - HA GLU 43 far 0 82 0 - 6.8-7.1 H LYS 66 - HA GLU 35 far 0 50 0 - 7.0-9.7 H TYR 41 - HA GLU 35 far 0 62 0 - 7.5-8.6 HE ARG 30 - HA LYS 40 far 0 70 0 - 9.2-13.4 H GLU 99 - HA ARG 91 far 0 46 0 - 9.4-11.3 H SER 9 - HA GLU 35 far 0 58 0 - 9.4-11.0 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 8 assignments used, quality = 0.99: * H GLU 43 + HA LYS 40 OK 85 100 100 85 3.5-4.0 6682=45, 6683/3.6=30...(10) H GLU 43 + HA GLU 43 OK 82 82 100 100 2.8-2.9 2.9=100 H ASP 36 + HA GLU 35 OK 60 60 100 100 3.4-3.5 3.6=89, 6558/3.0=52...(19) H PHE 96 - HA ARG 91 far 0 57 0 - 6.0-6.9 H LYS 68 - HA GLU 35 far 0 60 0 - 7.6-10.2 H SER 97 - HA ARG 91 far 0 53 0 - 7.8-8.4 H ASP 36 - HA LYS 40 far 0 99 0 - 8.0-8.5 H GLU 43 - HA GLU 35 far 0 62 0 - 9.7-11.1 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 17 assignments used, quality = 0.86: HB2 GLU 43 + HA GLU 43 OK 82 82 100 100 2.4-2.6 3.0=100 HB2 LYS 94 + HA ARG 91 OK 23 60 55 68 2.7-5.3 1.8/4198=22, 4186=21...(11) ! HB2 GLU 43 - HA LYS 40 far 0 100 0 - 4.4-5.4 HB VAL 32 - HA GLU 35 far 0 36 0 - 6.2-7.0 HG LEU 42 - HA LYS 40 far 0 99 0 - 6.3-6.9 HB3 LYS 47 - HA GLU 43 far 0 72 0 - 6.3-7.9 HG LEU 42 - HA GLU 43 far 0 79 0 - 6.5-6.6 HB ILE 8 - HA GLU 35 far 0 58 0 - 7.0-8.7 HB2 GLU 17 - HA ARG 91 far 0 38 0 - 7.2-10.8 HG3 GLU 88 - HA ARG 91 far 0 35 0 - 7.3-9.1 HG LEU 42 - HA GLU 35 far 0 59 0 - 7.5-8.9 HB2 LYS 33 - HA GLU 35 far 0 58 0 - 7.5-8.9 HB3 LYS 33 - HA GLU 35 far 0 59 0 - 7.7-8.9 HB VAL 54 - HA GLU 43 far 0 69 0 - 8.7-11.0 HB3 LYS 20 - HA ARG 91 far 0 47 0 - 8.9-13.7 HB2 LYS 20 - HA ARG 91 far 0 59 0 - 9.4-12.8 HB3 LYS 68 - HA GLU 35 far 0 34 0 - 9.7-12.4 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 18 assignments used, quality = 0.96: HB3 GLU 43 + HA GLU 43 OK 82 82 100 100 3.0-3.0 3.0=97, 6694/2.9=45...(31) HB3 GLU 35 + HA GLU 35 OK 55 55 100 100 2.2-2.4 3.0=97, 6551/3.0=37...(26) * HB3 GLU 43 + HA LYS 40 OK 36 100 90 40 2.8-4.0 6694/6682=18, 1969=18...(4) HB3 LEU 38 + HA GLU 35 OK 25 60 60 69 2.6-5.1 1635=19, 1.8/1627=16...(13) QE MET 21 - HA ARG 91 far 0 39 0 - 4.0-5.8 HB2 MET 74 - HA GLU 43 far 0 82 0 - 4.6-6.1 HB2 MET 21 - HA ARG 91 far 0 62 0 - 5.3-8.5 HG12 ILE 93 - HA ARG 91 far 0 48 0 - 6.2-8.4 HB3 GLU 88 - HA ARG 91 far 0 63 0 - 7.1-8.0 HB3 LEU 38 - HA LYS 40 far 0 99 0 - 7.3-8.6 HB2 GLU 98 - HA ARG 91 far 0 56 0 - 7.9-11.0 HB2 MET 74 - HA LYS 40 far 0 100 0 - 8.5-9.7 HB3 GLU 48 - HA GLU 43 far 0 73 0 - 9.1-10.5 HB3 GLU 35 - HA LYS 40 far 0 96 0 - 9.2-11.3 HB3 GLU 98 - HA ARG 91 far 0 55 0 - 9.4-11.2 HB3 GLU 62 - HA GLU 35 far 0 47 0 - 9.4-12.9 HB3 LEU 38 - HA GLU 43 far 0 80 0 - 9.5-11.7 HB2 GLU 99 - HA ARG 91 far 0 55 0 - 9.7-14.1 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 = 1.00: * HA GLU 37 + HB2 LYS 40 OK 100 100 100 100 1.9-3.8 1585=62, 6615/6625=60...(22) HA LEU 42 - HB2 LYS 40 far 0 100 0 - 7.4-8.5 Violated in 1 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 = 1.00: * H LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.1-2.7 6625=100, 6630/1.8=51...(19) H GLU 44 - HB2 LYS 40 far 0 75 0 - 6.4-7.2 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 5 assignments used, quality = 1.00: * HA LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 38 - HB2 LYS 40 far 0 99 0 - 5.1-6.7 HA GLU 35 - HB2 LYS 40 far 0 90 0 - 7.1-8.4 HA GLU 43 - HB2 LYS 40 far 0 94 0 - 8.1-8.6 HA ALA 67 - HB2 LYS 40 far 0 99 0 - 9.9-12.4 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 3 assignments used, quality = 1.00: * HG2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.9-3.0 2.9=100 QG2 THR 34 - HB2 LYS 40 far 0 95 0 - 7.4-8.3 HB2 LEU 6 - HB2 LYS 40 far 0 90 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 1788 from cnoeabs.peaks (1.36, 1.65, 31.76 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.3-2.7 2.9=100 HG2 LYS 39 - HB2 LYS 40 far 0 97 0 - 5.6-7.2 HB3 ARG 30 - HB2 LYS 40 far 0 98 0 - 8.2-11.2 HB2 LEU 70 - HB2 LYS 40 far 0 99 0 - 8.7-10.7 QB ALA 67 - HB2 LYS 40 far 0 90 0 - 9.3-11.4 HG12 ILE 8 - HB2 LYS 40 far 0 100 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 1789 from cnoeabs.peaks (1.46, 1.65, 31.76 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 * HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.5-3.9 3.5=100 HG3 LYS 39 - HB2 LYS 40 far 4 88 5 - 4.1-7.5 HG LEU 38 - HB2 LYS 40 far 0 100 0 - 5.9-9.2 HB2 LEU 38 - HB2 LYS 40 far 0 99 0 - 6.2-8.3 Violated in 0 structures by 0.00 A. Peak 1790 from cnoeabs.peaks (1.47, 1.65, 31.76 ppm; 3.90 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.5-3.9 3.5=100 HG3 LYS 39 - HB2 LYS 40 far 4 87 5 - 4.1-7.5 HG LEU 38 - HB2 LYS 40 far 0 100 0 - 5.9-9.2 HB2 LEU 38 - HB2 LYS 40 far 0 99 0 - 6.2-8.3 HG3 LYS 33 - HB2 LYS 40 far 0 59 0 - 9.4-11.8 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 2.5-4.8 4.8=100 HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-4.9 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 2.4-4.9 4.8=100 HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.5-4.8 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 2.4-4.0 4.3=73, 6644/6625=72...(18) HE ARG 30 - HB2 LYS 40 far 0 70 0 - 7.2-13.1 Violated in 2 structures by 0.01 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 2.6-3.8 1586=61, 1585/1.8=51...(20) HA LEU 42 - HB3 LYS 40 far 0 100 0 - 7.3-8.5 Violated in 2 structures by 0.02 A. Peak 1795 from cnoeabs.peaks (7.63, 1.68, 31.76 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.4-3.2 6625/1.8=83, 6630=62...(20) H GLU 44 - HB3 LYS 40 far 0 75 0 - 5.9-7.1 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 4 assignments used, quality = 1.00: * HA LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 38 - HB3 LYS 40 far 0 99 0 - 5.2-6.9 HA GLU 43 - HB3 LYS 40 far 0 94 0 - 7.7-8.4 HA GLU 35 - HB3 LYS 40 far 0 90 0 - 7.8-9.2 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 4 assignments used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.3-2.6 2.9=100 QG2 THR 34 - HB3 LYS 40 far 0 95 0 - 7.9-9.0 HB2 LEU 6 - HB3 LYS 40 far 0 90 0 - 8.4-11.6 QG2 THR 31 - HB3 LYS 40 far 0 95 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 1800 from cnoeabs.peaks (1.36, 1.68, 31.76 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 LYS 39 - HB3 LYS 40 far 0 97 0 - 6.3-7.9 HB3 ARG 30 - HB3 LYS 40 far 0 98 0 - 7.5-11.1 HB2 LEU 70 - HB3 LYS 40 far 0 99 0 - 9.5-11.1 HG12 ILE 8 - HB3 LYS 40 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (1.46, 1.68, 31.76 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-4.0 3.5=100 HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 HG3 LYS 39 - HB3 LYS 40 far 0 88 0 - 5.1-8.1 HG LEU 38 - HB3 LYS 40 far 0 100 0 - 6.2-9.9 HB2 LEU 38 - HB3 LYS 40 far 0 99 0 - 7.0-8.5 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (1.47, 1.68, 31.76 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-4.0 3.5=100 HG3 LYS 39 - HB3 LYS 40 far 0 87 0 - 5.1-8.1 HG LEU 38 - HB3 LYS 40 far 0 100 0 - 6.2-9.9 HB2 LEU 38 - HB3 LYS 40 far 0 99 0 - 7.0-8.5 HG3 LYS 33 - HB3 LYS 40 far 0 59 0 - 9.4-11.8 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 2.5-4.6 4.8=100 * HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.7-4.9 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 2.5-4.6 4.8=100 HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.7-4.9 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 2.3-4.1 4.3=67, 6644/1795=61...(19) HE ARG 30 - HB3 LYS 40 far 0 70 0 - 7.4-12.6 Violated in 13 structures by 0.11 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 4.4-4.6 6631=100, 6622/1.8=92...(21) H GLU 44 + HG2 LYS 40 OK 33 75 65 68 4.7-6.1 1879/10585=22...(9) Violated in 2 structures by 0.01 A. Peak 1807 from cnoeabs.peaks (3.86, 1.16, 24.65 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.7-3.6 3.8=100 HA LEU 38 - HG2 LYS 40 far 0 99 0 - 6.7-8.0 HA GLU 43 - HG2 LYS 40 far 0 94 0 - 7.0-8.3 HA ALA 89 - HG3 LYS 82 far 0 26 0 - 8.4-9.3 HB2 SER 85 - HG3 LYS 82 far 0 24 0 - 8.6-10.4 HA GLU 35 - HG2 LYS 40 far 0 90 0 - 10.0-10.8 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 10 assignments used, quality = 1.00: * HB2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.9-3.0 2.9=100 HB3 LYS 40 + HG2 LYS 40 OK 63 63 100 100 2.3-2.6 2.9=100 HD2 LYS 39 - HG2 LYS 40 far 0 99 0 - 8.0-10.6 HD2 LYS 47 - HG2 LYS 40 far 0 70 0 - 8.0-13.2 HD3 LYS 47 - HG2 LYS 40 far 0 68 0 - 8.3-12.3 HD3 LYS 39 - HG2 LYS 40 far 0 100 0 - 8.6-10.3 HD3 LYS 68 - HG3 LYS 82 far 0 49 0 - 8.6-11.9 HG3 LYS 47 - HG2 LYS 40 far 0 87 0 - 8.7-11.8 HG2 LYS 68 - HG3 LYS 82 far 0 49 0 - 9.8-11.3 HB3 LEU 6 - HG2 LYS 40 far 0 100 0 - 10.0-12.2 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 2.3-2.6 2.9=100 HB2 LYS 40 + HG2 LYS 40 OK 63 63 100 100 2.9-3.0 2.9=100 HD2 LYS 39 - HG2 LYS 40 far 0 79 0 - 8.0-10.6 HD2 LYS 47 - HG2 LYS 40 far 0 100 0 - 8.0-13.2 HD3 LYS 47 - HG2 LYS 40 far 0 100 0 - 8.3-12.3 HD3 LYS 68 - HG3 LYS 82 far 0 30 0 - 8.6-11.9 HB3 LEU 6 - HG2 LYS 40 far 0 68 0 - 10.0-12.2 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 9 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 2.5-3.0 2.9=82, 3655/2.9=18...(11) QB ALA 89 - HG3 LYS 82 far 0 41 0 - 6.9-8.3 HG2 LYS 39 - HG2 LYS 40 far 0 97 0 - 7.2-9.3 QB ALA 67 - HG3 LYS 82 far 0 39 0 - 7.2-8.4 HB3 ARG 30 - HG2 LYS 40 far 0 98 0 - 8.1-10.2 HG LEU 14 - HG3 LYS 82 far 0 47 0 - 8.7-10.5 HG3 LYS 68 - HG3 LYS 82 far 0 47 0 - 9.4-12.8 HG12 ILE 8 - HG3 LYS 82 far 0 49 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1812 from cnoeabs.peaks (1.46, 1.16, 24.65 ppm; 3.27 A): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 82 + HG3 LYS 82 OK 49 49 100 100 2.4-2.7 2.9=100 HB3 LEU 64 - HG3 LYS 82 far 0 35 0 - 4.3-5.3 HG3 LYS 39 - HG2 LYS 40 far 0 88 0 - 6.1-9.2 HG LEU 64 - HG3 LYS 82 far 0 43 0 - 6.9-7.9 HG LEU 57 - HG3 LYS 82 far 0 25 0 - 8.1-9.2 HG LEU 38 - HG2 LYS 40 far 0 100 0 - 8.4-11.2 HB2 LEU 38 - HG2 LYS 40 far 0 99 0 - 8.7-9.8 HG2 LYS 47 - HG2 LYS 40 far 0 82 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (1.47, 1.16, 24.65 ppm; 3.27 A): 3 out of 10 assignments used, quality = 1.00: HD2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 82 + HG3 LYS 82 OK 48 48 100 100 2.4-2.7 2.9=100 HB3 LEU 64 - HG3 LYS 82 far 0 36 0 - 4.3-5.3 HG3 LYS 39 - HG2 LYS 40 far 0 87 0 - 6.1-9.2 HG LEU 64 - HG3 LYS 82 far 0 44 0 - 6.9-7.9 HG LEU 57 - HG3 LYS 82 far 0 26 0 - 8.1-9.2 HG LEU 38 - HG2 LYS 40 far 0 100 0 - 8.4-11.2 HB2 LEU 38 - HG2 LYS 40 far 0 99 0 - 8.7-9.8 HG2 LYS 47 - HG2 LYS 40 far 0 84 0 - 8.9-13.1 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: * HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.0-4.0 4.0=100 HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.3-4.0 4.0=100 HE2 LYS 82 + HG3 LYS 82 OK 32 32 100 100 2.3-4.0 3.9=100 HB3 ASP 61 - HG3 LYS 82 far 0 26 0 - 6.1-8.5 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: HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.0-4.0 4.0=100 * HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.3-4.0 4.0=100 HE2 LYS 82 + HG3 LYS 82 OK 31 31 100 100 2.3-4.0 3.9=100 HB3 ASP 61 - HG3 LYS 82 far 0 25 0 - 6.1-8.5 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, 6649/1.8=86...(20) HE ARG 30 - HG2 LYS 40 far 0 70 0 - 6.6-10.9 H LYS 66 - HG3 LYS 82 far 0 40 0 - 9.3-11.0 H SER 9 - HG3 LYS 82 far 0 46 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (7.63, 1.36, 24.65 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 40 + HG3 LYS 40 OK 100 100 100 100 3.8-4.4 6632=100, 6625/2.9=85...(15) H GLU 98 - HG2 LYS 94 far 7 65 10 - 4.9-6.8 H GLU 98 - HG3 LYS 94 far 6 61 10 - 4.9-6.1 H GLU 44 - HG3 LYS 40 far 4 75 5 - 5.0-6.5 Violated in 4 structures by 0.04 A. Peak 1818 from cnoeabs.peaks (3.86, 1.36, 24.65 ppm; 3.53 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-3.7 3.8=81, 2.9/6632=52...(23) HA LYS 94 + HG2 LYS 94 OK 81 81 100 100 2.6-3.8 3.7=84, 4175/1.8=70...(26) HA LYS 94 + HG3 LYS 94 OK 76 76 100 100 2.2-3.7 3.7=84, 3.0/7516=37...(23) HA ARG 91 + HG3 LYS 94 OK 23 61 50 74 3.3-5.8 4198/2.9=22, 4186/2.9=17...(11) HA ARG 91 - HG2 LYS 94 poor 20 65 40 75 2.1-5.3 4198/2.9=22, 4186/2.9=17...(13) HA LEU 38 - HG3 LYS 40 far 0 99 0 - 5.7-8.4 HA ALA 22 - HG3 LYS 94 far 0 40 0 - 6.7-9.8 HA GLU 43 - HG3 LYS 40 far 0 94 0 - 6.9-8.3 HA ALA 89 - HG2 LYS 94 far 0 46 0 - 7.3-11.3 HA ALA 22 - HG2 LYS 94 far 0 43 0 - 7.7-9.4 HA GLU 35 - HG3 LYS 40 far 0 90 0 - 8.9-10.7 HA ALA 89 - HG3 LYS 94 far 0 43 0 - 8.9-11.2 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 13 assignments used, quality = 1.00: * HB2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.3-2.7 2.9=100 HD2 LYS 94 + HG2 LYS 94 OK 67 67 100 100 2.2-3.0 3.0=100 HB3 LYS 40 + HG3 LYS 40 OK 63 63 100 100 3.0-3.0 2.9=100 HD2 LYS 94 + HG3 LYS 94 OK 62 62 100 100 2.3-3.0 3.0=100 HB3 ARG 91 - HG2 LYS 94 far 2 46 5 - 4.3-8.2 HB3 ARG 91 - HG3 LYS 94 far 0 43 0 - 5.0-8.7 HD3 LYS 39 - HG3 LYS 40 far 0 100 0 - 7.4-10.3 HD2 LYS 39 - HG3 LYS 40 far 0 99 0 - 7.6-10.6 HB3 LEU 6 - HG3 LYS 40 far 0 100 0 - 8.4-13.2 HD3 LYS 47 - HG3 LYS 40 far 0 68 0 - 8.5-13.5 HG3 LYS 20 - HG3 LYS 94 far 0 55 0 - 9.2-15.1 HD2 LYS 47 - HG3 LYS 40 far 0 70 0 - 9.3-14.3 HG3 LYS 47 - HG3 LYS 40 far 0 87 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (1.68, 1.36, 24.65 ppm; 3.59 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 40 + HG3 LYS 40 OK 63 63 100 100 2.3-2.7 2.9=100 HB3 ARG 91 - HG2 LYS 94 far 4 81 5 - 4.3-8.2 HB3 ARG 91 - HG3 LYS 94 far 0 76 0 - 5.0-8.7 HD3 LYS 90 - HG3 LYS 94 far 0 71 0 - 6.3-11.5 HD3 LYS 90 - HG2 LYS 94 far 0 76 0 - 6.4-10.8 HD2 LYS 39 - HG3 LYS 40 far 0 79 0 - 7.6-10.6 HD2 LYS 24 - HG3 LYS 94 far 0 72 0 - 7.9-12.4 HD3 LYS 24 - HG3 LYS 94 far 0 71 0 - 8.3-12.6 HB3 LEU 6 - HG3 LYS 40 far 0 68 0 - 8.4-13.2 HD3 LYS 47 - HG3 LYS 40 far 0 100 0 - 8.5-13.5 HG3 LYS 20 - HG3 LYS 94 far 0 74 0 - 9.2-15.1 HD2 LYS 47 - HG3 LYS 40 far 0 100 0 - 9.3-14.3 HD2 LYS 24 - HG2 LYS 94 far 0 77 0 - 9.5-12.1 HB3 LEU 70 - HG3 LYS 40 far 0 73 0 - 9.8-12.8 HD3 LYS 24 - HG2 LYS 94 far 0 76 0 - 10.0-12.2 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 4 assignments used, quality = 1.00: * HG2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 6 - HG3 LYS 40 far 0 90 0 - 8.0-12.5 QG2 THR 34 - HG3 LYS 40 far 0 95 0 - 8.4-10.1 QG2 THR 31 - HG3 LYS 40 far 0 95 0 - 9.6-12.8 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 2.2-3.0 3.0=97, 1.8/1844=24...(14) * HD2 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.2-3.0 3.0=97, 1.8/1844=24...(13) HB2 ARG 91 - HG2 LYS 94 far 0 67 0 - 4.0-7.8 HG3 ARG 91 - HG3 LYS 94 far 0 72 0 - 4.7-9.0 HG3 ARG 91 - HG2 LYS 94 far 0 77 0 - 4.8-8.4 HB2 ARG 91 - HG3 LYS 94 far 0 62 0 - 4.9-8.3 HG3 LYS 39 - HG3 LYS 40 far 0 88 0 - 5.3-9.1 QB ALA 22 - HG3 LYS 94 far 0 53 0 - 7.5-9.9 HB2 LEU 38 - HG3 LYS 40 far 0 99 0 - 7.6-10.1 HG LEU 38 - HG3 LYS 40 far 0 100 0 - 7.7-11.3 QB ALA 22 - HG2 LYS 94 far 0 57 0 - 7.8-9.6 HB2 LEU 27 - HG3 LYS 94 far 0 75 0 - 8.7-10.9 HG2 LYS 47 - HG3 LYS 40 far 0 82 0 - 9.1-13.4 HG LEU 57 - HG2 LYS 94 far 0 44 0 - 9.2-12.6 HB2 LEU 27 - HG2 LYS 94 far 0 79 0 - 9.4-10.9 HG2 LYS 20 - HG3 LYS 94 far 0 75 0 - 10.0-15.1 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 2.2-3.0 3.0=97, 1.8/1844=24...(14) HD2 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.2-3.0 3.0=97, 1.8/1844=24...(12) HB2 ARG 91 - HG2 LYS 94 far 0 68 0 - 4.0-7.8 HG3 ARG 91 - HG3 LYS 94 far 0 71 0 - 4.7-9.0 HG3 ARG 91 - HG2 LYS 94 far 0 76 0 - 4.8-8.4 HB2 ARG 91 - HG3 LYS 94 far 0 64 0 - 4.9-8.3 HG3 LYS 39 - HG3 LYS 40 far 0 87 0 - 5.3-9.1 QB ALA 22 - HG3 LYS 94 far 0 52 0 - 7.5-9.9 HB2 LEU 38 - HG3 LYS 40 far 0 99 0 - 7.6-10.1 HG LEU 38 - HG3 LYS 40 far 0 100 0 - 7.7-11.3 QB ALA 22 - HG2 LYS 94 far 0 55 0 - 7.8-9.6 HB2 LEU 27 - HG3 LYS 94 far 0 74 0 - 8.7-10.9 HG2 LYS 47 - HG3 LYS 40 far 0 84 0 - 9.1-13.4 HG LEU 57 - HG2 LYS 94 far 0 46 0 - 9.2-12.6 HB2 LEU 27 - HG2 LYS 94 far 0 79 0 - 9.4-10.9 HG3 LYS 33 - HG3 LYS 40 far 0 59 0 - 9.7-13.5 HG2 LYS 20 - HG3 LYS 94 far 0 74 0 - 10.0-15.1 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 3 assignments used, quality = 1.00: * HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.0-4.2 4.0=100 HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-4.2 4.0=100 HB2 ASN 26 - HG3 LYS 94 far 0 49 0 - 9.1-13.1 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 3 assignments used, quality = 1.00: * HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-4.2 4.0=100 HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.0-4.2 4.0=100 HB2 ASN 26 - HG3 LYS 94 far 0 47 0 - 9.1-13.1 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 2.4-5.0 6649=100, 6648/1.8=96...(18) HE ARG 30 - HG3 LYS 40 far 7 70 10 - 5.8-12.4 H GLU 99 - HG3 LYS 94 far 0 53 0 - 6.5-8.3 H GLU 99 - HG2 LYS 94 far 0 57 0 - 6.5-8.2 H ASN 26 - HG3 LYS 94 far 0 68 0 - 7.7-11.6 H ASN 26 - HG2 LYS 94 far 0 72 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (7.63, 1.46, 28.90 ppm; 5.58 A): 2 out of 5 assignments used, quality = 1.00: H LYS 40 + HD3 LYS 40 OK 100 100 100 100 3.9-5.8 6625/3.5=98, 6632/3.0=96...(19) * H LYS 40 + HD2 LYS 40 OK 100 100 100 100 4.6-5.8 6625/3.5=98, 6632/3.0=96...(19) H GLU 44 - HD2 LYS 40 far 0 75 0 - 6.8-8.4 H GLU 44 - HD3 LYS 40 far 0 75 0 - 7.4-8.3 H GLU 98 - HB2 ARG 91 far 0 32 0 - 9.3-11.3 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 3.8-5.2 5.2=61, 1773/3.0=56...(24) HA LYS 40 + HD3 LYS 40 OK 100 100 100 100 4.0-5.2 5.2=61, 1773/3.0=56...(23) HA ARG 91 + HB2 ARG 91 OK 32 32 100 100 2.3-3.0 3.0=100 HA ALA 89 - HB2 ARG 91 far 0 22 0 - 5.5-7.3 HA LEU 38 - HD3 LYS 40 far 0 99 0 - 6.7-8.7 HA LYS 94 - HB2 ARG 91 far 0 42 0 - 7.0-8.6 HA LEU 38 - HD2 LYS 40 far 0 99 0 - 7.1-9.2 HB2 SER 85 - HB2 ARG 91 far 0 20 0 - 7.2-10.4 HA GLU 35 - HD3 LYS 40 far 0 89 0 - 8.5-11.1 HA GLU 43 - HD2 LYS 40 far 0 94 0 - 8.8-10.3 HA GLU 35 - HD2 LYS 40 far 0 90 0 - 8.9-11.4 HA GLU 43 - HD3 LYS 40 far 0 94 0 - 9.6-10.4 HB2 SER 85 - HD2 LYS 82 far 0 60 0 - 9.7-12.0 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 16 assignments used, quality = 1.00: HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 * HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.5-3.9 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.2-4.0 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.1-3.7 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 far 5 33 15 - 3.7-7.6 HD3 LYS 39 - HD3 LYS 40 far 0 100 0 - 8.1-10.9 HD2 LYS 39 - HD3 LYS 40 far 0 99 0 - 8.4-12.1 HD3 LYS 68 - HD2 LYS 82 far 0 99 0 - 8.6-12.3 HD2 LYS 39 - HD2 LYS 40 far 0 99 0 - 8.7-11.9 HB3 LEU 6 - HD3 LYS 40 far 0 100 0 - 8.9-12.7 HD3 LYS 39 - HD2 LYS 40 far 0 100 0 - 9.0-11.8 HB3 LEU 6 - HD2 LYS 40 far 0 100 0 - 9.5-14.2 HD2 LYS 68 - HD2 LYS 82 far 0 99 0 - 9.7-13.2 HG2 LYS 68 - HD2 LYS 82 far 0 99 0 - 10.0-11.4 HG3 LYS 47 - HD2 LYS 40 far 0 87 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1831 from cnoeabs.peaks (1.68, 1.46, 28.90 ppm; 4.39 A): 5 out of 13 assignments used, quality = 1.00: * HB3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.5-3.9 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.1-3.7 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 poor 19 39 50 - 2.1-8.5 HD2 LYS 39 - HD3 LYS 40 far 0 79 0 - 8.4-12.1 HD3 LYS 68 - HD2 LYS 82 far 0 72 0 - 8.6-12.3 HG2 PRO 86 - HB2 ARG 91 far 0 40 0 - 8.6-12.7 HD2 LYS 39 - HD2 LYS 40 far 0 79 0 - 8.7-11.9 HB3 LEU 6 - HD3 LYS 40 far 0 67 0 - 8.9-12.7 HB3 LEU 6 - HD2 LYS 40 far 0 68 0 - 9.5-14.2 HD2 LYS 68 - HD2 LYS 82 far 0 74 0 - 9.7-13.2 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 11 assignments used, quality = 1.00: * HG2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 82 + HD2 LYS 82 OK 91 91 100 100 2.4-2.7 2.9=100 QG2 THR 34 - HD3 LYS 40 far 0 95 0 - 6.8-8.9 QG2 THR 34 - HD2 LYS 40 far 0 95 0 - 7.4-9.6 HB2 LEU 57 - HD2 LYS 82 far 0 60 0 - 8.6-9.6 HB2 LEU 57 - HB2 ARG 91 far 0 20 0 - 9.0-12.0 HB2 LEU 6 - HD3 LYS 40 far 0 89 0 - 9.0-12.5 HB2 LEU 6 - HD2 LYS 40 far 0 90 0 - 9.2-13.5 QG2 THR 31 - HD3 LYS 40 far 0 95 0 - 9.2-12.0 QG2 THR 31 - HD2 LYS 40 far 0 95 0 - 9.5-13.2 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 15 assignments used, quality = 1.00: * HG3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 82 + HD2 LYS 82 OK 79 95 85 98 3.6-3.9 3.5=59, 3655/1.8=29...(23) HG2 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.0-7.8 HG3 LYS 94 - HB2 ARG 91 far 0 33 0 - 4.9-8.3 QB ALA 89 - HB2 ARG 91 far 0 34 0 - 5.8-7.3 HB3 ARG 30 - HD3 LYS 40 far 0 98 0 - 7.6-11.2 QB ALA 67 - HD2 LYS 82 far 0 88 0 - 7.6-8.7 HG2 LYS 39 - HD2 LYS 40 far 0 97 0 - 8.0-10.5 HG2 LYS 39 - HD3 LYS 40 far 0 97 0 - 8.0-10.6 HB3 ARG 30 - HD2 LYS 40 far 0 98 0 - 8.0-12.2 QB ALA 89 - HD2 LYS 82 far 0 91 0 - 8.8-10.3 HG LEU 14 - HB2 ARG 91 far 0 40 0 - 8.9-11.8 QB ALA 25 - HB2 ARG 91 far 0 34 0 - 9.0-10.3 HG3 LYS 68 - HD2 LYS 82 far 0 98 0 - 9.9-12.7 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): 5 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 76 76 100 100 2.3-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 6 64 10 - 3.6-6.7 Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (2.77, 1.46, 28.90 ppm; 3.39 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 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 2.3-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 6 62 10 - 3.6-6.7 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 + HD3 LYS 40 OK 100 100 100 100 4.2-6.0 1805/3.5=99, 1793/3.5=98...(16) * H TYR 41 + HD2 LYS 40 OK 100 100 100 100 4.5-6.3 1805/3.5=99, 1793/3.5=98...(16) HE ARG 30 - HD2 LYS 40 poor 17 70 25 - 5.7-13.7 HE ARG 30 - HD3 LYS 40 poor 14 69 20 - 5.6-12.6 H LYS 66 - HD2 LYS 82 far 0 89 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (7.63, 1.47, 28.90 ppm; 5.83 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 40 + HD3 LYS 40 OK 100 100 100 100 3.9-5.8 6625/3.5=99, 6632/3.0=98...(19) H LYS 40 + HD2 LYS 40 OK 100 100 100 100 4.6-5.8 6625/3.5=99, 6632/3.0=98...(19) H GLU 44 - HD2 LYS 40 far 0 75 0 - 6.8-8.4 H GLU 44 - HD3 LYS 40 far 0 75 0 - 7.4-8.3 H GLU 98 - HB2 ARG 91 far 0 34 0 - 9.3-11.3 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 3.8-5.2 5.2=59, 1773/3.0=55...(24) * HA LYS 40 + HD3 LYS 40 OK 100 100 100 100 4.0-5.2 5.2=59, 1773/3.0=55...(23) HA ARG 91 + HB2 ARG 91 OK 34 34 100 100 2.3-3.0 3.0=100 HA ALA 89 - HB2 ARG 91 far 0 23 0 - 5.5-7.3 HA LEU 38 - HD3 LYS 40 far 0 99 0 - 6.7-8.7 HA LYS 94 - HB2 ARG 91 far 0 44 0 - 7.0-8.6 HA LEU 38 - HD2 LYS 40 far 0 99 0 - 7.1-9.2 HB2 SER 85 - HB2 ARG 91 far 0 21 0 - 7.2-10.4 HA GLU 35 - HD3 LYS 40 far 0 90 0 - 8.5-11.1 HA GLU 43 - HD2 LYS 40 far 0 94 0 - 8.8-10.3 HA GLU 35 - HD2 LYS 40 far 0 89 0 - 8.9-11.4 HA GLU 43 - HD3 LYS 40 far 0 94 0 - 9.6-10.4 HB2 SER 85 - HD2 LYS 82 far 0 60 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 1841 from cnoeabs.peaks (1.65, 1.47, 28.90 ppm; 5.16 A): 5 out of 16 assignments used, quality = 1.00: * HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.5-3.9 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.1-3.7 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.2-4.0 3.5=100 HB3 ARG 91 + HB2 ARG 91 OK 23 23 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HB2 ARG 91 poor 19 34 60 94 3.7-7.6 ~4196=21, 4231/3.0=20...(24) HD3 LYS 39 - HD3 LYS 40 far 0 100 0 - 8.1-10.9 HD2 LYS 39 - HD3 LYS 40 far 0 99 0 - 8.4-12.1 HD3 LYS 68 - HD2 LYS 82 far 0 99 0 - 8.6-12.3 HD2 LYS 39 - HD2 LYS 40 far 0 99 0 - 8.7-11.9 HB3 LEU 6 - HD3 LYS 40 far 0 100 0 - 8.9-12.7 HD3 LYS 39 - HD2 LYS 40 far 0 100 0 - 9.0-11.8 HB3 LEU 6 - HD2 LYS 40 far 0 100 0 - 9.5-14.2 HD2 LYS 68 - HD2 LYS 82 far 0 99 0 - 9.7-13.2 HG2 LYS 68 - HD2 LYS 82 far 0 99 0 - 10.0-11.4 HG3 LYS 47 - HD2 LYS 40 far 0 87 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1842 from cnoeabs.peaks (1.68, 1.47, 28.90 ppm; 4.53 A): 5 out of 13 assignments used, quality = 1.00: * HB3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-4.0 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.1-3.7 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.5-3.9 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 poor 17 40 50 84 2.1-8.5 7438/3.9=26, 4039/2.8=17...(19) HD2 LYS 39 - HD3 LYS 40 far 0 79 0 - 8.4-12.1 HD3 LYS 68 - HD2 LYS 82 far 0 71 0 - 8.6-12.3 HG2 PRO 86 - HB2 ARG 91 far 0 42 0 - 8.6-12.7 HD2 LYS 39 - HD2 LYS 40 far 0 79 0 - 8.7-11.9 HB3 LEU 6 - HD3 LYS 40 far 0 68 0 - 8.9-12.7 HB3 LEU 6 - HD2 LYS 40 far 0 67 0 - 9.5-14.2 HD2 LYS 68 - HD2 LYS 82 far 0 73 0 - 9.7-13.2 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 11 assignments used, quality = 1.00: * HG2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 82 + HD2 LYS 82 OK 90 90 100 100 2.4-2.7 2.9=100 QG2 THR 34 - HD3 LYS 40 far 0 95 0 - 6.8-8.9 QG2 THR 34 - HD2 LYS 40 far 0 95 0 - 7.4-9.6 HB2 LEU 57 - HD2 LYS 82 far 0 60 0 - 8.6-9.6 HB2 LEU 57 - HB2 ARG 91 far 0 21 0 - 9.0-12.0 HB2 LEU 6 - HD3 LYS 40 far 0 90 0 - 9.0-12.5 HB2 LEU 6 - HD2 LYS 40 far 0 89 0 - 9.2-13.5 QG2 THR 31 - HD3 LYS 40 far 0 95 0 - 9.2-12.0 QG2 THR 31 - HD2 LYS 40 far 0 95 0 - 9.5-13.2 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 15 assignments used, quality = 1.00: * HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 82 + HD2 LYS 82 OK 74 94 80 98 3.6-3.9 3.5=58, 3655/1.8=29...(23) HG2 LYS 94 - HB2 ARG 91 far 0 36 0 - 4.0-7.8 HG3 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.9-8.3 QB ALA 89 - HB2 ARG 91 far 0 36 0 - 5.8-7.3 HB3 ARG 30 - HD3 LYS 40 far 0 98 0 - 7.6-11.2 QB ALA 67 - HD2 LYS 82 far 0 88 0 - 7.6-8.7 HG2 LYS 39 - HD2 LYS 40 far 0 97 0 - 8.0-10.5 HG2 LYS 39 - HD3 LYS 40 far 0 97 0 - 8.0-10.6 HB3 ARG 30 - HD2 LYS 40 far 0 98 0 - 8.0-12.2 QB ALA 89 - HD2 LYS 82 far 0 90 0 - 8.8-10.3 HG LEU 14 - HB2 ARG 91 far 0 42 0 - 8.9-11.8 QB ALA 25 - HB2 ARG 91 far 0 36 0 - 9.0-10.3 HG3 LYS 68 - HD2 LYS 82 far 0 98 0 - 9.9-12.7 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): 5 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 2.3-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 75 75 100 100 2.3-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 6 64 10 - 3.6-6.7 Violated in 0 structures by 0.00 A. Peak 1848 from cnoeabs.peaks (2.77, 1.47, 28.90 ppm; 3.34 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 40 + HD3 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 + HD2 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 73 73 100 100 2.3-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 6 62 10 - 3.6-6.7 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 + HD3 LYS 40 OK 100 100 100 100 4.2-6.0 1805/3.5=99, 1793/3.5=98...(16) H TYR 41 + HD2 LYS 40 OK 100 100 100 100 4.5-6.3 1805/3.5=99, 1793/3.5=98...(16) HE ARG 30 - HD2 LYS 40 poor 17 69 25 - 5.7-13.7 HE ARG 30 - HD3 LYS 40 poor 14 70 20 - 5.6-12.6 H LYS 66 - HD2 LYS 82 far 0 89 0 - 8.7-10.2 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 16 assignments used, quality = 1.00: * HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.5-4.8 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-4.9 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 63 63 100 100 2.7-4.9 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 63 63 100 100 2.5-4.6 4.8=100 HD3 LYS 68 - HE2 LYS 82 far 0 38 0 - 7.4-12.3 HD2 LYS 68 - HE2 LYS 82 far 0 38 0 - 7.7-12.6 HG2 LYS 68 - HE2 LYS 82 far 0 38 0 - 7.9-12.4 HD3 LYS 39 - HE2 LYS 40 far 0 100 0 - 8.1-12.3 HD2 LYS 39 - HE3 LYS 40 far 0 99 0 - 8.3-13.0 HD3 LYS 39 - HE3 LYS 40 far 0 100 0 - 8.6-12.4 HD3 LYS 47 - HE2 LYS 40 far 0 68 0 - 8.8-15.7 HD2 LYS 47 - HE3 LYS 40 far 0 69 0 - 8.8-16.9 HD2 LYS 47 - HE2 LYS 40 far 0 70 0 - 8.8-16.6 HB3 LEU 6 - HE3 LYS 40 far 0 100 0 - 9.3-14.1 HD3 LYS 47 - HE3 LYS 40 far 0 67 0 - 9.5-15.8 HD2 LYS 39 - HE2 LYS 40 far 0 99 0 - 9.5-13.1 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 14 assignments used, quality = 1.00: * HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.7-4.9 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.5-4.6 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 63 63 100 100 2.5-4.8 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 63 63 100 100 2.4-4.9 4.8=100 HD3 LYS 68 - HE2 LYS 82 far 0 23 0 - 7.4-12.3 HD2 LYS 68 - HE2 LYS 82 far 0 24 0 - 7.7-12.6 HD2 LYS 39 - HE3 LYS 40 far 0 79 0 - 8.3-13.0 HD3 LYS 47 - HE2 LYS 40 far 0 100 0 - 8.8-15.7 HD2 LYS 47 - HE3 LYS 40 far 0 100 0 - 8.8-16.9 HD2 LYS 47 - HE2 LYS 40 far 0 100 0 - 8.8-16.6 HD3 LYS 66 - HE2 LYS 82 far 0 33 0 - 9.2-15.7 HB3 LEU 6 - HE3 LYS 40 far 0 67 0 - 9.3-14.1 HD3 LYS 47 - HE3 LYS 40 far 0 100 0 - 9.5-15.8 HD2 LYS 39 - HE2 LYS 40 far 0 79 0 - 9.5-13.1 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 9 assignments used, quality = 1.00: * HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.0-4.0 4.0=99 HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.3-4.0 4.0=99 HG3 LYS 82 + HE2 LYS 82 OK 31 31 100 100 2.3-4.0 3.9=100 QG2 THR 34 - HE3 LYS 40 far 0 95 0 - 6.5-10.2 QG2 THR 34 - HE2 LYS 40 far 0 95 0 - 6.7-11.0 QG2 THR 31 - HE2 LYS 40 far 0 95 0 - 8.5-12.7 QG2 THR 31 - HE3 LYS 40 far 0 95 0 - 9.0-12.3 HB2 LEU 6 - HE2 LYS 40 far 0 90 0 - 9.4-14.0 HB2 LEU 6 - HE3 LYS 40 far 0 89 0 - 9.9-13.3 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 2.0-4.2 4.0=100 HG3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.1-4.2 4.0=100 HB2 LYS 82 + HE2 LYS 82 OK 34 34 100 100 2.7-4.6 3657/1.8=58, 4.8=57...(17) HB3 ARG 30 - HE2 LYS 40 far 0 98 0 - 6.1-11.7 HB3 ARG 30 - HE3 LYS 40 far 0 98 0 - 6.2-11.3 QB ALA 67 - HE2 LYS 82 far 0 30 0 - 6.8-9.7 QB ALA 89 - HE2 LYS 82 far 0 31 0 - 8.2-11.2 HG2 LYS 39 - HE2 LYS 40 far 0 97 0 - 8.6-11.7 HG3 LYS 68 - HE2 LYS 82 far 0 37 0 - 8.7-14.0 HG2 LYS 39 - HE3 LYS 40 far 0 97 0 - 8.8-11.8 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 15 assignments used, quality = 1.00: * HD2 LYS 40 + HE2 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 + HE3 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 poor 8 27 30 - 3.3-6.5 HG LEU 64 - HE2 LYS 82 far 0 34 0 - 4.7-8.5 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 7.3-13.2 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 7.9-12.8 HG3 LYS 39 - HE2 LYS 40 far 0 88 0 - 7.9-12.0 HG3 LYS 39 - HE3 LYS 40 far 0 88 0 - 8.2-11.8 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 8.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 8.4-11.9 HG2 LYS 66 - HE2 LYS 82 far 0 27 0 - 8.8-14.1 HG3 LYS 66 - HE2 LYS 82 far 0 25 0 - 9.8-14.5 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 17 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 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 82 + HE2 LYS 82 OK 38 38 100 100 2.3-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 poor 8 28 30 - 3.3-6.5 HG LEU 64 - HE2 LYS 82 far 0 34 0 - 4.7-8.5 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 7.3-13.2 HG3 LYS 33 - HE2 LYS 40 far 0 59 0 - 7.8-12.8 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 7.9-12.8 HG3 LYS 39 - HE2 LYS 40 far 0 87 0 - 7.9-12.0 HG3 LYS 39 - HE3 LYS 40 far 0 87 0 - 8.2-11.8 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 8.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 8.4-11.9 HG3 LYS 33 - HE3 LYS 40 far 0 59 0 - 8.7-12.8 HG2 LYS 66 - HE2 LYS 82 far 0 27 0 - 8.8-14.1 HG3 LYS 66 - HE2 LYS 82 far 0 26 0 - 9.8-14.5 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 4.5-6.6 6648/4.0=81, 6649/4.0=81...(11) * H TYR 41 + HE2 LYS 40 OK 95 100 95 100 4.7-7.2 6648/4.0=81, 6649/4.0=81...(11) HE ARG 30 - HE2 LYS 40 poor 14 70 20 - 6.3-12.9 HE ARG 30 - HE3 LYS 40 far 10 69 15 - 5.6-11.5 H LYS 66 - HE2 LYS 82 far 0 31 0 - 7.3-11.8 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 13 assignments used, quality = 1.00: * HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-4.9 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.5-4.8 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 63 63 100 100 2.5-4.6 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 63 63 100 100 2.7-4.9 4.8=100 HD3 LYS 39 - HE2 LYS 40 far 0 100 0 - 8.1-12.3 HD2 LYS 39 - HE3 LYS 40 far 0 99 0 - 8.3-13.0 HD3 LYS 39 - HE3 LYS 40 far 0 100 0 - 8.6-12.4 HD3 LYS 47 - HE2 LYS 40 far 0 67 0 - 8.8-15.7 HD2 LYS 47 - HE3 LYS 40 far 0 70 0 - 8.8-16.9 HD2 LYS 47 - HE2 LYS 40 far 0 69 0 - 8.8-16.6 HB3 LEU 6 - HE3 LYS 40 far 0 100 0 - 9.3-14.1 HD3 LYS 47 - HE3 LYS 40 far 0 68 0 - 9.5-15.8 HD2 LYS 39 - HE2 LYS 40 far 0 99 0 - 9.5-13.1 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 11 assignments used, quality = 1.00: * HB3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.5-4.6 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.7-4.9 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 63 63 100 100 2.4-4.9 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 63 63 100 100 2.5-4.8 4.8=100 HD2 LYS 39 - HE3 LYS 40 far 0 79 0 - 8.3-13.0 HD3 LYS 47 - HE2 LYS 40 far 0 100 0 - 8.8-15.7 HD2 LYS 47 - HE3 LYS 40 far 0 100 0 - 8.8-16.9 HD2 LYS 47 - HE2 LYS 40 far 0 100 0 - 8.8-16.6 HB3 LEU 6 - HE3 LYS 40 far 0 68 0 - 9.3-14.1 HD3 LYS 47 - HE3 LYS 40 far 0 100 0 - 9.5-15.8 HD2 LYS 39 - HE2 LYS 40 far 0 79 0 - 9.5-13.1 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 8 assignments used, quality = 1.00: * HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.3-4.0 4.0=99 HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.0-4.0 4.0=99 QG2 THR 34 - HE3 LYS 40 far 0 95 0 - 6.5-10.2 QG2 THR 34 - HE2 LYS 40 far 0 95 0 - 6.7-11.0 QG2 THR 31 - HE2 LYS 40 far 0 95 0 - 8.5-12.7 QG2 THR 31 - HE3 LYS 40 far 0 95 0 - 9.0-12.3 HB2 LEU 6 - HE2 LYS 40 far 0 89 0 - 9.4-14.0 HB2 LEU 6 - HE3 LYS 40 far 0 90 0 - 9.9-13.3 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 2.1-4.2 4.0=100 HG3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.0-4.2 4.0=100 HB3 ARG 30 - HE2 LYS 40 far 0 98 0 - 6.1-11.7 HB3 ARG 30 - HE3 LYS 40 far 0 98 0 - 6.2-11.3 HG2 LYS 39 - HE2 LYS 40 far 0 97 0 - 8.6-11.7 HG2 LYS 39 - HE3 LYS 40 far 0 97 0 - 8.8-11.8 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 2.2-3.0 3.0=100 HD3 LYS 40 + HE3 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 2.3-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 7.3-13.2 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 7.9-12.8 HG3 LYS 39 - HE2 LYS 40 far 0 88 0 - 7.9-12.0 HG3 LYS 39 - HE3 LYS 40 far 0 88 0 - 8.2-11.8 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 8.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 8.4-11.9 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 2.3-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 7.3-13.2 HG3 LYS 33 - HE2 LYS 40 far 0 59 0 - 7.8-12.8 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 7.9-12.8 HG3 LYS 39 - HE2 LYS 40 far 0 87 0 - 7.9-12.0 HG3 LYS 39 - HE3 LYS 40 far 0 87 0 - 8.2-11.8 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 8.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 8.4-11.9 HG3 LYS 33 - HE3 LYS 40 far 0 59 0 - 8.7-12.8 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 4.5-6.6 6648/4.0=81, 6649/4.0=81...(11) H TYR 41 + HE2 LYS 40 OK 95 100 95 100 4.7-7.2 6648/4.0=81, 6649/4.0=81...(11) HE ARG 30 - HE2 LYS 40 poor 14 69 20 - 6.3-12.9 HE ARG 30 - HE3 LYS 40 far 10 70 15 - 5.6-11.5 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 2.8-2.9 3.0=100 HE ARG 30 - HA TYR 41 far 0 70 0 - 5.6-9.6 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): 2 out of 5 assignments used, quality = 1.00: * HB2 TYR 41 + HA TYR 41 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 44 + HA TYR 41 OK 29 59 55 88 3.3-6.4 3.0/1881=46, 4.8/1879=30...(12) HG3 GLU 43 - HA TYR 41 far 0 99 0 - 5.1-7.5 HB2 TYR 4 - HA TYR 41 far 0 88 0 - 7.4-8.6 HG2 GLU 48 - HA TYR 41 far 0 93 0 - 9.7-12.6 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 2.4-3.0 3.0=100 HD2 ARG 30 - HA TYR 41 far 0 68 0 - 6.4-8.2 HG3 MET 74 - HA TYR 41 far 0 96 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 1876 from cnoeabs.peaks (6.83, 3.93, 59.76 ppm; 3.24 A): 1 out of 2 assignments used, quality = 0.98: * QD TYR 41 + HA TYR 41 OK 98 100 100 98 2.0-2.9 3.7=65, 6657/3.0=32...(21) QE TYR 41 - HA TYR 41 far 0 87 0 - 4.2-4.8 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 3.4-3.5 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): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA TYR 41 OK 100 100 100 100 3.2-3.6 6697/6684=61...(15) H LYS 40 - HA TYR 41 far 0 75 0 - 5.2-5.5 H GLU 48 - HA TYR 41 far 0 97 0 - 9.2-10.2 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 6 assignments used, quality = 0.90: * HB2 GLU 44 + HA TYR 41 OK 86 100 100 86 2.3-4.1 3.9/1879=33, 2009=29...(11) HB3 GLU 44 + HA TYR 41 OK 25 100 30 82 3.8-5.0 3.9/1879=33, 1.8/2001=24...(10) QE MET 74 - HA TYR 41 far 0 100 0 - 5.9-6.4 HB2 GLU 37 - HA TYR 41 far 0 88 0 - 7.5-8.6 HB2 ARG 46 - HA TYR 41 far 0 84 0 - 7.7-10.2 HB3 MET 74 - HA TYR 41 far 0 61 0 - 9.7-10.7 Violated in 2 structures by 0.03 A. Peak 1881 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.90: HB2 GLU 44 + HA TYR 41 OK 86 100 100 86 2.3-4.1 3.9/1879=33, 2009=29...(11) * HB3 GLU 44 + HA TYR 41 OK 25 100 30 82 3.8-5.0 3.9/1879=33, 1.8/2001=24...(10) QE MET 74 - HA TYR 41 far 0 100 0 - 5.9-6.4 HB2 GLU 37 - HA TYR 41 far 0 88 0 - 7.5-8.6 HB2 ARG 46 - HA TYR 41 far 0 84 0 - 7.7-10.2 HB3 MET 74 - HA TYR 41 far 0 61 0 - 9.7-10.7 Violated in 2 structures by 0.03 A. Peak 1882 from cnoeabs.peaks (3.87, 2.31, 36.90 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB2 TYR 41 OK 100 100 100 100 3.3-4.7 1624=91, 1890/1.8=75...(14) HA LYS 40 - HB2 TYR 41 far 0 99 0 - 5.7-6.6 HA GLU 43 - HB2 TYR 41 far 0 99 0 - 7.5-7.9 HA ALA 71 - HB2 TYR 41 far 0 81 0 - 7.9-10.3 HA ALA 67 - HB2 TYR 41 far 0 92 0 - 8.0-11.5 HA GLU 35 - HB2 TYR 41 far 0 98 0 - 8.1-10.4 Violated in 5 structures by 0.05 A. Peak 1883 from cnoeabs.peaks (7.82, 2.31, 36.90 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + HB2 TYR 41 OK 100 100 100 100 2.3-3.6 6655=100, 6656/1.8=87...(13) HE ARG 30 - HB2 TYR 41 far 0 70 0 - 5.2-9.4 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 2.5-3.0 3.0=100 HA GLU 44 - HB2 TYR 41 far 0 99 0 - 7.0-8.3 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 - 5.7-7.7 HG3 MET 74 - HB2 TYR 41 far 0 96 0 - 7.4-11.4 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 2.3-2.7 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...(11) 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 1 assignment used, quality = 1.00: * H LEU 42 + HB2 TYR 41 OK 100 100 100 100 2.6-3.9 4.1=100 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 = 0.75: * HA LEU 38 + HB3 TYR 41 OK 75 100 75 100 2.9-5.7 1625=97, 1882/1.8=81...(18) HA LYS 40 - HB3 TYR 41 far 0 99 0 - 5.7-6.6 HA GLU 43 - HB3 TYR 41 far 0 99 0 - 7.6-7.9 HA ALA 71 - HB3 TYR 41 far 0 81 0 - 8.1-10.2 HA GLU 35 - HB3 TYR 41 far 0 98 0 - 8.1-11.4 HA ALA 67 - HB3 TYR 41 far 0 92 0 - 8.8-11.9 Violated in 15 structures by 0.62 A. Peak 1891 from cnoeabs.peaks (7.82, 2.64, 36.90 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 41 + HB3 TYR 41 OK 100 100 100 100 2.3-3.6 6656=100, 6655/1.8=80...(15) HE ARG 30 - HB3 TYR 41 far 0 70 0 - 5.0-8.7 H GLU 28 - HB3 TYR 41 far 0 85 0 - 9.3-12.4 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 2.4-3.0 3.0=100 HA GLU 44 - HB3 TYR 41 far 0 99 0 - 6.9-8.5 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 5 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 - 5.3-8.6 HB2 TYR 4 - HB3 TYR 41 far 0 88 0 - 5.4-8.2 HG3 GLU 43 - HB3 TYR 41 far 0 99 0 - 6.4-9.1 HG2 GLU 48 - HB3 TYR 41 far 0 93 0 - 9.9-13.5 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 2.3-2.7 2.5=100 QE TYR 41 + HB3 TYR 41 OK 84 87 100 97 4.4-4.5 4.4=62, 1887/1.8=34...(14) 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 2.7-3.9 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 2.8-2.8 3.0=100 H LEU 70 - HA LEU 42 far 0 100 0 - 9.8-10.9 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 ARG 46 - HA LEU 42 poor 18 92 20 - 4.5-8.0 HG2 ARG 46 - HA LEU 42 far 0 94 0 - 4.8-8.5 HB VAL 78 - HA LEU 42 far 0 82 0 - 5.5-7.8 HB2 LYS 39 - HA LEU 42 far 0 99 0 - 7.6-8.2 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 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.5-2.6 3.0=100 QB ALA 67 - HA LEU 42 far 0 70 0 - 7.7-9.1 HG2 ARG 30 - HA LEU 42 far 0 99 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 1902 from cnoeabs.peaks (1.90, 3.70, 58.24 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 100 100 2.7-2.9 2.1/1944=86, 4.3=77...(16) HB VAL 54 - HA LEU 42 far 0 99 0 - 5.1-6.4 HB2 GLU 43 - HA LEU 42 far 0 99 0 - 6.5-6.6 HB3 LYS 39 - HA LEU 42 far 0 70 0 - 7.1-7.8 HB3 LYS 47 - HA LEU 42 far 0 81 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 1903 from cnoeabs.peaks (0.69, 3.70, 58.24 ppm; 3.86 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 100 100 3.8-3.9 4.0=88, 2.1/1944=85...(17) QG2 VAL 54 + HA LEU 42 OK 46 70 100 67 3.4-4.6 9222/8928=26, 9236=20...(8) QG2 VAL 78 - HA LEU 42 poor 14 71 20 - 4.3-6.8 QD1 ILE 52 - HA LEU 42 far 0 100 0 - 5.3-6.3 QD1 ILE 56 - HA LEU 42 far 0 93 0 - 5.4-6.9 QD2 LEU 6 - HA LEU 42 far 0 100 0 - 5.5-6.8 HG13 ILE 56 - HA LEU 42 far 0 84 0 - 6.5-8.3 QD1 ILE 8 - HA LEU 42 far 0 91 0 - 8.2-9.8 QG1 VAL 5 - HA LEU 42 far 0 61 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (0.77, 3.70, 58.24 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 100 100 100 100 2.0-2.4 1944=90, 2.1/1902=42...(19) QD1 ILE 76 + HA LEU 42 OK 61 70 100 88 2.7-3.8 10286/3.0=18, 10878=18...(21) QD1 LEU 6 - HA LEU 42 poor 20 100 20 - 3.3-4.9 QG1 VAL 54 - HA LEU 42 far 10 100 10 - 3.6-5.3 QG1 VAL 78 - HA LEU 42 far 5 91 5 - 3.8-6.1 QG2 ILE 52 - HA LEU 42 far 0 98 0 - 5.2-7.6 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 3.5-3.5 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...(12) H ALA 71 - HA LEU 42 far 0 100 0 - 7.2-8.6 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 2.5-3.5 2.5/8928=66, 3.7/6719=48...(15) HB3 PHE 45 + HA LEU 42 OK 85 96 90 99 4.0-5.0 2.5/8928=66, 3.7/6719=48...(14) HE3 LYS 47 - HA LEU 42 far 0 99 0 - 8.0-13.1 HE2 LYS 47 - HA LEU 42 far 0 99 0 - 8.4-12.2 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 = 0.99: HB2 PHE 45 + HA LEU 42 OK 95 96 100 99 2.5-3.5 2.5/8928=65, 3.7/6719=48...(15) * HB3 PHE 45 + HA LEU 42 OK 84 100 85 99 4.0-5.0 2.5/8928=65, 3.7/6719=48...(14) HE3 LYS 47 - HA LEU 42 far 0 100 0 - 8.0-13.1 HE2 LYS 47 - HA LEU 42 far 0 100 0 - 8.4-12.2 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 2.0-2.7 1679/1.8=90, 8953/3.1=75...(21) 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 2.3-2.5 4.0=100 H LEU 70 - HB2 LEU 42 far 0 100 0 - 7.9-9.0 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 - 7.5-8.2 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 2 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 - 7.4-8.5 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 4 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LYS 39 + HB2 LEU 42 OK 52 70 75 99 4.2-5.0 3.0/1909=47, ~1679=36...(20) HB2 GLU 43 - HB2 LEU 42 far 0 99 0 - 5.9-6.1 HB VAL 54 - HB2 LEU 42 far 0 99 0 - 7.2-8.6 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 8 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.0-2.3 3.1=100 QG2 VAL 78 - HB2 LEU 42 far 0 71 0 - 5.2-7.6 QG2 VAL 54 - HB2 LEU 42 far 0 70 0 - 5.6-6.9 QD1 ILE 56 - HB2 LEU 42 far 0 93 0 - 5.7-7.2 QD2 LEU 6 - HB2 LEU 42 far 0 100 0 - 6.4-7.5 HG13 ILE 56 - HB2 LEU 42 far 0 84 0 - 7.3-9.4 QD1 ILE 52 - HB2 LEU 42 far 0 100 0 - 7.7-8.6 QD1 ILE 8 - HB2 LEU 42 far 0 91 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (0.77, 1.81, 40.51 ppm; 3.86 A): 2 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 QD1 ILE 76 + HB2 LEU 42 OK 69 70 100 99 3.1-4.1 10286/1.8=39, ~12083=32...(29) QD1 LEU 6 - HB2 LEU 42 far 15 100 15 - 4.3-5.9 QG1 VAL 78 - HB2 LEU 42 far 0 91 0 - 5.2-7.2 QG1 VAL 54 - HB2 LEU 42 far 0 100 0 - 5.6-7.2 QG2 ILE 52 - HB2 LEU 42 far 0 98 0 - 7.3-9.5 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 2.7-3.0 4.6=100 H ASP 36 - HB2 LEU 42 far 0 99 0 - 9.5-10.1 H LYS 68 - HB2 LEU 42 far 0 100 0 - 9.8-11.6 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 3.5-4.2 1679=100, 1909/1.8=84...(18) 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 - 8.0-9.3 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 2.5-2.6 3.0=100 HA GLU 37 - HB3 LEU 42 far 0 100 0 - 9.3-9.9 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 5 assignments used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 46 - HB3 LEU 42 poor 13 92 35 41 3.7-7.6 9021/10286=21...(6) HG2 ARG 46 - HB3 LEU 42 far 9 94 10 - 4.0-8.1 HB VAL 78 - HB3 LEU 42 far 0 82 0 - 5.8-7.7 HB2 LYS 39 - HB3 LEU 42 far 0 99 0 - 6.2-7.1 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): 1 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 HB3 LYS 39 - HB3 LEU 42 far 0 70 0 - 5.5-6.6 HB VAL 54 - HB3 LEU 42 far 0 99 0 - 5.9-7.9 HB2 GLU 43 - HB3 LEU 42 far 0 99 0 - 6.0-6.7 HB3 LYS 47 - HB3 LEU 42 far 0 81 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1924 from cnoeabs.peaks (0.69, 1.30, 40.51 ppm; 3.71 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.4-2.7 3.1=100 QG2 VAL 78 - HB3 LEU 42 far 7 71 10 - 4.0-7.1 QG2 VAL 54 - HB3 LEU 42 far 0 70 0 - 4.8-6.3 QD1 ILE 56 - HB3 LEU 42 far 0 93 0 - 5.5-7.1 QD1 ILE 52 - HB3 LEU 42 far 0 100 0 - 6.8-7.7 HG13 ILE 56 - HB3 LEU 42 far 0 84 0 - 6.9-9.1 QD2 LEU 6 - HB3 LEU 42 far 0 100 0 - 7.1-8.2 QD1 ILE 8 - HB3 LEU 42 far 0 91 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 1925 from cnoeabs.peaks (0.77, 1.30, 40.51 ppm; 3.75 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.1-2.3 3.1=100 QD1 ILE 76 + HB3 LEU 42 OK 69 70 100 99 1.8-2.7 10286=42, 2.1/10285=40...(29) QG1 VAL 78 + HB3 LEU 42 OK 36 91 40 100 4.1-6.7 10653=100...(10) QD1 LEU 6 - HB3 LEU 42 far 0 100 0 - 4.7-6.4 QG1 VAL 54 - HB3 LEU 42 far 0 100 0 - 5.0-7.0 QG2 ILE 52 - HB3 LEU 42 far 0 98 0 - 6.0-8.2 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 3.4-3.8 4.6=100 H LYS 68 - HB3 LEU 42 far 0 100 0 - 9.8-11.5 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 2.3-2.7 6675=100, 6676/2.1=75...(20) H LEU 70 - HG LEU 42 far 0 100 0 - 7.5-8.7 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 2.7-2.9 4.3=100 HA GLU 37 - HG LEU 42 far 0 100 0 - 7.6-8.0 HB THR 80 - HG LEU 42 far 0 85 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1929 from cnoeabs.peaks (1.81, 1.90, 26.36 ppm; 3.77 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.5-2.6 3.0=100 HB VAL 78 - HG LEU 42 far 0 82 0 - 5.5-7.2 HB2 LYS 39 - HG LEU 42 far 0 99 0 - 5.7-6.5 HG3 ARG 46 - HG LEU 42 far 0 92 0 - 6.4-10.2 HG2 ARG 46 - HG LEU 42 far 0 94 0 - 6.8-10.7 HB2 LYS 68 - HG LEU 42 far 0 75 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1930 from cnoeabs.peaks (1.30, 1.90, 26.36 ppm; 4.59 A): 1 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 far 0 70 0 - 5.6-7.0 HG2 ARG 30 - HG LEU 42 far 0 99 0 - 8.8-11.5 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): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 56 + HG LEU 42 OK 37 93 90 44 3.7-5.3 323=17, 2.1/10678=10...(9) QG2 VAL 78 - HG LEU 42 poor 18 71 25 - 4.1-5.7 QG2 VAL 54 - HG LEU 42 poor 17 70 25 - 4.2-5.5 QD2 LEU 6 - HG LEU 42 far 0 100 0 - 4.8-6.0 HG13 ILE 56 - HG LEU 42 far 0 84 0 - 5.0-6.8 QD1 ILE 8 - HG LEU 42 far 0 91 0 - 6.1-7.5 QD1 ILE 52 - HG LEU 42 far 0 100 0 - 7.3-8.4 QG1 VAL 5 - HG LEU 42 far 0 61 0 - 8.2-10.0 QG1 VAL 58 - HG LEU 42 far 0 73 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (0.77, 1.90, 26.36 ppm; 3.56 A): 4 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 58 70 85 98 3.8-5.1 ~12083=36, ~10599=34...(24) QD1 LEU 6 + HG LEU 42 OK 49 100 100 49 2.4-4.1 6677/6675=24...(4) QG1 VAL 78 + HG LEU 42 OK 25 91 40 69 3.7-5.2 10653/3.0=56, ~1945=13...(6) QG1 VAL 54 - HG LEU 42 poor 10 100 50 21 3.9-5.2 ~1947=6, ~2497=5...(5) QG2 ILE 52 - HG LEU 42 far 0 98 0 - 6.8-9.5 QG2 ILE 8 - HG LEU 42 far 0 92 0 - 8.9-10.3 QD2 LEU 57 - HG LEU 42 far 0 79 0 - 9.1-10.5 QG2 ILE 7 - HG LEU 42 far 0 73 0 - 9.5-11.0 QD1 LEU 64 - HG LEU 42 far 0 85 0 - 9.8-10.9 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 4.4-4.7 6685/6675=96...(15) H LYS 68 - HG LEU 42 far 0 100 0 - 8.3-10.3 H ASP 36 - HG LEU 42 far 0 99 0 - 9.7-10.2 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 3.3-3.6 6676=100, 6675/2.1=95...(19) H LEU 70 + QD1 LEU 42 OK 79 100 80 99 4.5-5.4 3142/9544=65...(9) 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 5 assignments used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 100 100 3.8-3.9 4.0=95, 1944/2.1=88...(17) HA LEU 14 + QD1 LEU 14 OK 83 83 100 100 2.8-3.6 4.0=97, 611/2.1=60...(33) HA LYS 90 - QD1 LEU 14 far 0 61 0 - 6.7-9.4 HA GLU 37 - QD1 LEU 42 far 0 100 0 - 6.7-7.3 HB THR 80 - QD1 LEU 42 far 0 85 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 1937 from cnoeabs.peaks (1.81, 0.69, 25.64 ppm; 3.65 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.0-2.3 3.1=100 HB2 LYS 39 + QD1 LEU 42 OK 99 99 100 99 3.7-4.5 3.0/10570=62...(27) HB2 GLU 88 - QD1 LEU 14 poor 19 96 20 - 4.4-5.5 HB VAL 78 - QD1 LEU 42 far 0 82 0 - 4.7-6.2 HB3 LEU 57 - QD1 LEU 14 far 0 89 0 - 5.4-7.1 HG3 ARG 46 - QD1 LEU 42 far 0 92 0 - 5.6-8.9 HG2 ARG 46 - QD1 LEU 42 far 0 94 0 - 5.8-9.3 HB2 LYS 90 - QD1 LEU 14 far 0 96 0 - 6.1-9.6 HB3 LYS 90 - QD1 LEU 14 far 0 76 0 - 6.2-10.2 HB2 LYS 68 - QD1 LEU 42 far 0 75 0 - 7.1-8.5 HB3 GLU 63 - QD1 LEU 14 far 0 72 0 - 8.6-9.6 HB ILE 93 - QD1 LEU 14 far 0 96 0 - 8.6-10.5 HB3 LEU 57 - QD1 LEU 42 far 0 95 0 - 9.6-11.7 HB3 GLU 63 - QD1 LEU 42 far 0 79 0 - 9.8-11.0 HB2 LYS 53 - QD1 LEU 42 far 0 70 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1938 from cnoeabs.peaks (1.30, 0.69, 25.64 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.4-2.7 3.1=100 QB ALA 89 + QD1 LEU 14 OK 51 60 95 90 2.5-4.6 2.9/8402=31...(19) QB ALA 67 - QD1 LEU 42 far 0 70 0 - 4.4-5.4 HG2 LYS 90 - QD1 LEU 14 far 0 90 0 - 5.8-8.2 HG2 ARG 30 - QD1 LEU 42 far 0 99 0 - 9.3-11.3 QB ALA 67 - QD1 LEU 14 far 0 63 0 - 9.4-10.5 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 2.2-3.0 3.1=100 HB3 LYS 39 + QD1 LEU 42 OK 24 70 35 98 3.3-4.6 3.0/10570=53...(22) HB2 LYS 13 - QD1 LEU 14 far 0 86 0 - 5.0-6.4 HB3 LYS 13 - QD1 LEU 14 far 0 88 0 - 5.1-6.4 HB VAL 54 - QD1 LEU 42 far 0 99 0 - 5.1-6.6 HB3 LYS 66 - QD1 LEU 42 far 0 68 0 - 6.9-8.8 HB2 GLU 43 - QD1 LEU 42 far 0 99 0 - 7.0-7.3 HB3 LYS 68 - QD1 LEU 42 far 0 85 0 - 7.0-8.6 HB ILE 8 - QD1 LEU 14 far 0 97 0 - 7.1-8.5 HB3 LYS 12 - QD1 LEU 14 far 0 71 0 - 8.3-8.8 HB ILE 8 - QD1 LEU 42 far 0 100 0 - 8.3-9.9 HB2 LYS 12 - QD1 LEU 14 far 0 67 0 - 8.5-8.8 HB3 ARG 19 - QD1 LEU 14 far 0 65 0 - 8.6-10.9 HB2 ARG 19 - QD1 LEU 14 far 0 96 0 - 8.8-11.3 HB3 LYS 20 - QD1 LEU 14 far 0 56 0 - 8.8-11.4 HB2 LYS 20 - QD1 LEU 14 far 0 95 0 - 9.4-12.5 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): 2 out of 20 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 46 70 75 88 2.6-4.2 2.1/9667=27, ~12083=19...(23) QG1 VAL 78 - QD1 LEU 42 poor 19 91 40 54 3.1-4.9 10653/3.1=30...(9) QD1 LEU 6 - QD1 LEU 42 far 5 100 5 - 3.3-4.8 QD1 ILE 15 - QD1 LEU 14 far 0 95 0 - 4.3-5.7 QG1 VAL 54 - QD1 LEU 42 far 0 100 0 - 4.6-5.7 HG13 ILE 15 - QD1 LEU 14 far 0 93 0 - 5.0-6.7 QG2 ILE 7 - QD1 LEU 14 far 0 67 0 - 5.5-6.1 QD1 ILE 93 - QD1 LEU 14 far 0 96 0 - 5.9-7.1 QD2 LEU 57 - QD1 LEU 14 far 0 72 0 - 6.1-7.2 QG2 ILE 52 - QD1 LEU 42 far 0 98 0 - 6.5-8.7 QG2 ILE 8 - QD1 LEU 14 far 0 86 0 - 6.6-7.9 QG2 ILE 8 - QD1 LEU 42 far 0 92 0 - 7.2-8.7 QD1 LEU 64 - QD1 LEU 42 far 0 85 0 - 7.5-8.6 HG13 ILE 93 - QD1 LEU 14 far 0 82 0 - 7.7-9.9 HG3 ARG 81 - QD1 LEU 14 far 0 76 0 - 8.1-11.7 QD2 LEU 57 - QD1 LEU 42 far 0 79 0 - 8.1-9.5 QG2 ILE 93 - QD1 LEU 14 far 0 90 0 - 8.4-9.8 QG2 ILE 7 - QD1 LEU 42 far 0 73 0 - 8.8-10.1 QD1 LEU 64 - QD1 LEU 14 far 0 79 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 3.6-3.9 6675/2.1=93, 6676/2.1=84...(16) H LEU 70 - QD2 LEU 42 far 0 100 0 - 5.9-7.0 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 = 0.99: * HA LEU 42 + QD2 LEU 42 OK 99 100 100 99 2.0-2.4 1904=62, 1902/2.1=45...(19) HB THR 80 - QD2 LEU 42 far 0 85 0 - 7.4-9.0 HA GLU 37 - QD2 LEU 42 far 0 100 0 - 8.3-8.7 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 8 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 47 82 100 57 2.9-4.2 ~10653=25, 9685/12176=10...(12) HG3 ARG 46 - QD2 LEU 42 far 0 92 0 - 4.7-8.0 HG2 ARG 46 - QD2 LEU 42 far 0 94 0 - 4.8-8.1 HB2 LYS 39 - QD2 LEU 42 far 0 99 0 - 6.3-6.9 HB2 LYS 68 - QD2 LEU 42 far 0 75 0 - 6.9-8.8 HB2 LYS 53 - QD2 LEU 42 far 0 70 0 - 7.6-9.1 HB3 LEU 57 - QD2 LEU 42 far 0 95 0 - 9.0-11.2 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (1.30, 0.77, 21.93 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.1-2.3 3.1=100 QB ALA 67 - QD2 LEU 42 far 0 70 0 - 4.7-5.8 HG2 ARG 30 - QD2 LEU 42 far 0 99 0 - 8.4-10.8 HB3 LEU 2 - QD2 LEU 42 far 0 77 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 1947 from cnoeabs.peaks (1.90, 0.77, 21.93 ppm; 2.87 A): 1 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 poor 16 99 60 27 3.0-4.4 2491=8, 2.1/2497=7...(6) HB3 LYS 39 - QD2 LEU 42 far 0 70 0 - 5.9-6.9 HB3 LYS 68 - QD2 LEU 42 far 0 85 0 - 6.9-9.2 HB2 GLU 43 - QD2 LEU 42 far 0 99 0 - 7.2-7.6 HB VAL 5 - QD2 LEU 42 far 0 68 0 - 8.4-10.5 HB3 LYS 66 - QD2 LEU 42 far 0 68 0 - 8.6-10.4 HB3 LYS 47 - QD2 LEU 42 far 0 81 0 - 9.0-10.0 HB ILE 8 - QD2 LEU 42 far 0 100 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 1948 from cnoeabs.peaks (0.69, 0.77, 21.93 ppm; 2.40 A): 1 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 poor 12 70 55 30 2.4-3.9 9222/10600=10...(8) QG2 VAL 78 - QD2 LEU 42 lone 11 71 90 18 1.8-3.8 2.1/1945=10, ~1941=2...(6) QD1 ILE 56 - QD2 LEU 42 lone 11 93 80 14 2.6-3.9 1932/2.1=7, 324=4, ~10678=2 HG13 ILE 56 - QD2 LEU 42 far 0 84 0 - 3.3-5.3 QD2 LEU 6 - QD2 LEU 42 far 0 100 0 - 5.0-6.2 QD1 ILE 52 - QD2 LEU 42 far 0 100 0 - 5.1-6.3 QD1 ILE 8 - QD2 LEU 42 far 0 91 0 - 5.6-7.2 QG1 VAL 5 - QD2 LEU 42 far 0 61 0 - 6.7-8.6 QG1 VAL 58 - QD2 LEU 42 far 0 73 0 - 7.0-8.2 QG2 VAL 58 - QD2 LEU 42 far 0 98 0 - 8.5-9.5 QD1 LEU 29 - QD2 LEU 42 far 0 68 0 - 9.0-10.7 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 4.7-5.0 6690/2.1=91, 3.6/1944=91...(14) H LYS 68 - QD2 LEU 42 far 0 100 0 - 6.3-8.1 H ASP 36 - QD2 LEU 42 far 0 99 0 - 9.9-10.2 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 8 assignments used, quality = 1.00: * H GLU 43 + HA GLU 43 OK 100 100 100 100 2.8-2.9 2.9=100 H ASP 36 + HA GLU 35 OK 97 97 100 100 3.4-3.5 3.6=97, 6558/3.0=55...(21) H GLU 43 + HA LYS 40 OK 70 82 100 86 3.5-4.0 6692=43, 6683/3.6=32...(10) H PHE 96 - HA ARG 91 far 0 91 0 - 6.0-6.9 H LYS 68 - HA GLU 35 far 0 97 0 - 7.6-10.2 H SER 97 - HA ARG 91 far 0 86 0 - 7.8-8.4 H ASP 36 - HA LYS 40 far 0 80 0 - 8.0-8.5 H GLU 43 - HA GLU 35 far 0 98 0 - 9.7-11.1 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 17 assignments used, quality = 1.00: * HB2 GLU 43 + HA GLU 43 OK 100 100 100 100 2.4-2.6 3.0=100 HB2 LYS 94 + HA ARG 91 OK 36 94 55 70 2.7-5.3 1.8/4196=24, 4184=20...(11) HB2 GLU 43 - HA LYS 40 far 0 82 0 - 4.4-5.4 HB VAL 32 - HA GLU 35 far 0 65 0 - 6.2-7.0 HG LEU 42 - HA LYS 40 far 0 79 0 - 6.3-6.9 HB3 LYS 47 - HA GLU 43 far 0 94 0 - 6.3-7.9 HG LEU 42 - HA GLU 43 far 0 99 0 - 6.5-6.6 HB ILE 8 - HA GLU 35 far 0 95 0 - 7.0-8.7 HB2 GLU 17 - HA ARG 91 far 0 66 0 - 7.2-10.8 HG3 GLU 88 - HA ARG 91 far 0 62 0 - 7.3-9.1 HG LEU 42 - HA GLU 35 far 0 96 0 - 7.5-8.9 HB2 LYS 33 - HA GLU 35 far 0 95 0 - 7.5-8.9 HB3 LYS 33 - HA GLU 35 far 0 96 0 - 7.7-8.9 HB VAL 54 - HA GLU 43 far 0 91 0 - 8.7-11.0 HB3 LYS 20 - HA ARG 91 far 0 79 0 - 8.9-13.7 HB2 LYS 20 - HA ARG 91 far 0 93 0 - 9.4-12.8 HB3 LYS 68 - HA GLU 35 far 0 63 0 - 9.7-12.4 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 18 assignments used, quality = 1.00: * HB3 GLU 43 + HA GLU 43 OK 99 100 100 99 3.0-3.0 3.0=87, 6694/2.9=41...(30) HB3 GLU 35 + HA GLU 35 OK 90 92 100 98 2.2-2.4 3.0=87, 6551/3.0=34...(26) HB3 LEU 38 + HA GLU 35 OK 43 97 60 73 2.6-5.1 1634/12057=23, 1635=17...(13) HB3 GLU 43 + HA LYS 40 OK 26 82 85 37 2.8-4.0 6694/6682=16, 1969=14...(4) QE MET 21 - HA ARG 91 far 0 68 0 - 4.0-5.8 HB2 MET 74 - HA GLU 43 far 0 100 0 - 4.6-6.1 HB2 MET 21 - HA ARG 91 far 0 96 0 - 5.3-8.5 HG12 ILE 93 - HA ARG 91 far 0 80 0 - 6.2-8.4 HB3 GLU 88 - HA ARG 91 far 0 96 0 - 7.1-8.0 HB3 LEU 38 - HA LYS 40 far 0 80 0 - 7.3-8.6 HB2 GLU 98 - HA ARG 91 far 0 90 0 - 7.9-11.0 HB2 MET 74 - HA LYS 40 far 0 82 0 - 8.5-9.7 HB3 GLU 48 - HA GLU 43 far 0 95 0 - 9.1-10.5 HB3 GLU 35 - HA LYS 40 far 0 74 0 - 9.2-11.3 HB3 GLU 98 - HA ARG 91 far 0 89 0 - 9.4-11.2 HB3 GLU 62 - HA GLU 35 far 0 82 0 - 9.4-12.9 HB3 LEU 38 - HA GLU 43 far 0 99 0 - 9.5-11.7 HB2 GLU 99 - HA ARG 91 far 0 89 0 - 9.7-14.1 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...(22) HG3 GLU 35 + HA GLU 35 OK 95 97 100 99 2.6-3.7 4.1=47, 1538/3.0=24...(32) HG2 GLU 35 + HA GLU 35 OK 62 97 65 99 2.7-4.2 4.1=47, 1539/3.0=24...(32) HG2 GLU 43 + HA LYS 40 OK 27 82 60 55 2.8-4.5 6695/6682=15...(8) HB2 GLU 95 - HA ARG 91 far 0 94 0 - 4.5-7.9 HB3 GLU 95 - HA ARG 91 far 0 75 0 - 4.5-7.8 HB2 GLU 63 - HA GLU 35 far 0 96 0 - 6.4-8.6 HG2 GLU 35 - HA LYS 40 far 0 80 0 - 7.9-10.8 HG3 GLU 35 - HA LYS 40 far 0 80 0 - 8.0-11.0 HG2 GLU 98 - HA ARG 91 far 0 80 0 - 8.3-11.2 HB3 GLU 75 - HA GLU 43 far 0 100 0 - 8.3-9.5 HG3 GLU 75 - HA GLU 43 far 0 97 0 - 8.9-11.3 HG2 GLU 99 - HA ARG 91 far 0 70 0 - 9.4-12.0 HG2 GLU 43 - HA GLU 35 far 0 98 0 - 9.8-11.7 HG2 GLU 75 - HA GLU 43 far 0 96 0 - 9.9-11.7 HG3 PRO 86 - HA ARG 91 far 0 99 0 - 9.9-12.5 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 12 assignments used, quality = 1.00: * HG3 GLU 43 + HA GLU 43 OK 100 100 100 100 2.2-3.7 3.7=100 HG3 GLU 43 + HA LYS 40 OK 45 82 75 73 2.0-5.4 6696/6692=26, 1985=21...(11) HG3 GLU 44 - HA LYS 40 far 0 55 0 - 5.0-9.6 HG3 GLU 44 - HA GLU 43 far 0 75 0 - 5.3-7.8 HB2 TYR 41 - HA LYS 40 far 0 80 0 - 5.7-6.6 HG2 GLU 63 - HA GLU 35 far 0 78 0 - 7.1-10.1 HB2 TYR 41 - HA GLU 43 far 0 99 0 - 7.5-7.9 HB2 TYR 41 - HA GLU 35 far 0 97 0 - 8.1-10.4 HG2 GLU 48 - HA GLU 43 far 0 99 0 - 9.0-11.0 HB2 TYR 4 - HA GLU 43 far 0 75 0 - 9.5-11.8 HG3 GLU 69 - HA GLU 35 far 0 90 0 - 9.8-12.6 HG3 GLU 43 - HA GLU 35 far 0 98 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1957 from cnoeabs.peaks (7.60, 3.88, 59.12 ppm; 3.76 A): 2 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 LYS 40 + HA LYS 40 OK 55 55 100 100 2.8-2.9 2.9=100 H GLU 44 - HA LYS 40 far 4 82 5 - 4.6-5.4 H LYS 40 - HA GLU 35 far 0 71 0 - 5.9-6.9 H GLU 88 - HA ARG 91 far 0 75 0 - 7.0-7.7 H LYS 40 - HA GLU 43 far 0 75 0 - 7.2-7.8 H GLU 48 - HA GLU 43 far 0 97 0 - 7.2-8.3 H LYS 24 - HA ARG 91 far 0 79 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (8.02, 3.88, 59.12 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.99: * H ARG 46 + HA GLU 43 OK 99 100 100 99 3.0-3.8 6738=70, 6716/6705=46...(14) H LYS 90 - HA ARG 91 far 4 86 5 - 5.1-5.5 H ARG 46 - HA LYS 40 far 0 82 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (1.97, 3.88, 59.12 ppm; 3.09 A): 4 out of 27 assignments used, quality = 0.98: QE MET 74 + HA GLU 43 OK 73 82 100 89 2.6-3.6 9610=46, 12303/2.9=31...(14) HB2 GLU 35 + HA GLU 35 OK 67 67 100 100 2.6-3.0 3.0=100 HB3 ARG 46 + HA GLU 43 OK 53 96 65 85 2.3-4.7 3.6/10171=26...(9) * HB2 ARG 46 + HA GLU 43 OK 51 100 60 85 2.1-4.9 3.6/10171=26...(9) QE MET 74 - HA LYS 40 far 0 61 0 - 4.2-5.3 HB2 GLU 37 - HA GLU 35 far 0 98 0 - 4.7-5.4 HB3 MET 74 - HA GLU 43 far 0 98 0 - 4.9-6.5 HB2 GLU 44 - HA GLU 43 far 0 84 0 - 5.5-6.0 HB2 GLU 44 - HA LYS 40 far 0 62 0 - 5.6-7.0 HB3 GLU 44 - HA GLU 43 far 0 84 0 - 6.1-6.6 HB3 GLU 44 - HA LYS 40 far 0 62 0 - 6.2-8.2 HB VAL 32 - HA GLU 35 far 0 65 0 - 6.2-7.0 QE MET 74 - HA GLU 35 far 0 78 0 - 7.2-9.0 HB2 GLU 17 - HA ARG 91 far 0 70 0 - 7.2-10.8 HG3 GLU 88 - HA ARG 91 far 0 73 0 - 7.3-9.1 HB2 GLU 37 - HA LYS 40 far 0 82 0 - 7.4-8.1 HB2 LYS 47 - HA GLU 43 far 0 100 0 - 7.8-9.0 HB3 GLU 17 - HA ARG 91 far 0 72 0 - 7.9-11.1 HB2 ARG 46 - HA LYS 40 far 0 82 0 - 8.0-10.8 HB3 ARG 46 - HA LYS 40 far 0 75 0 - 8.3-10.6 HB3 LYS 24 - HA ARG 91 far 0 97 0 - 8.3-11.1 HB2 LYS 24 - HA ARG 91 far 0 97 0 - 8.5-12.0 HB3 MET 74 - HA LYS 40 far 0 78 0 - 8.7-10.0 HB2 LYS 73 - HA GLU 35 far 0 91 0 - 9.0-12.4 HB2 GLU 35 - HA LYS 40 far 0 51 0 - 9.0-11.3 HB3 LYS 73 - HA GLU 43 far 0 94 0 - 9.3-11.9 HB2 LYS 73 - HA GLU 43 far 0 95 0 - 9.5-12.3 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 20 assignments used, quality = 0.89: * HB3 ARG 46 + HA GLU 43 OK 67 100 75 89 2.3-4.7 3.6/10171=29...(10) HB2 ARG 46 + HA GLU 43 OK 56 96 65 89 2.1-4.9 3.6/10171=29...(10) HB2 LYS 94 + HA ARG 91 OK 25 62 60 67 2.7-5.3 1.8/4196=25, 4.0/7502=17...(10) HB2 GLU 37 - HA GLU 35 far 0 90 0 - 4.7-5.4 HB3 MET 74 - HA GLU 43 far 0 100 0 - 4.9-6.5 HB VAL 32 - HA GLU 35 far 0 89 0 - 6.2-7.0 HB3 LYS 47 - HA GLU 43 far 0 68 0 - 6.3-7.9 HB2 GLU 17 - HA ARG 91 far 0 92 0 - 7.2-10.8 HG3 GLU 88 - HA ARG 91 far 0 94 0 - 7.3-9.1 HB2 GLU 37 - HA LYS 40 far 0 72 0 - 7.4-8.1 HB2 LYS 47 - HA GLU 43 far 0 99 0 - 7.8-9.0 HB2 ARG 46 - HA LYS 40 far 0 75 0 - 8.0-10.8 HB3 ARG 46 - HA LYS 40 far 0 82 0 - 8.3-10.6 HB3 LYS 24 - HA ARG 91 far 0 99 0 - 8.3-11.1 HB2 LYS 24 - HA ARG 91 far 0 99 0 - 8.5-12.0 HB3 MET 74 - HA LYS 40 far 0 82 0 - 8.7-10.0 HB3 LYS 20 - HA ARG 91 far 0 84 0 - 8.9-13.7 HB2 LYS 73 - HA GLU 35 far 0 98 0 - 9.0-12.4 HB3 LYS 73 - HA GLU 43 far 0 100 0 - 9.3-11.9 HB2 LYS 73 - HA GLU 43 far 0 100 0 - 9.5-12.3 Violated in 2 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (3.86, 1.91, 29.24 ppm; 3.26 A): 1 out of 10 assignments used, quality = 0.94: HA GLU 43 + HB2 GLU 43 OK 94 94 100 100 2.4-2.6 3.0=100 ! HA LYS 40 - HB2 GLU 43 far 0 100 0 - 4.4-5.4 HA LYS 12 - HB2 ARG 19 far 0 59 0 - 7.2-10.0 HA ALA 22 - HB2 ARG 19 far 0 31 0 - 7.2-8.7 HA ALA 22 - HB3 ARG 19 far 0 23 0 - 7.3-8.5 HA LYS 12 - HB3 ARG 19 far 0 45 0 - 7.7-9.7 HA ALA 71 - HB2 GLU 43 far 0 93 0 - 9.1-11.5 HB3 SER 49 - HB2 GLU 43 far 0 99 0 - 9.4-11.3 HA LEU 38 - HB2 GLU 43 far 0 99 0 - 9.8-10.6 HA ALA 89 - HB3 ARG 19 far 0 25 0 - 9.9-12.0 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 3.5-3.6 6693=100, 6694/1.8=85...(15) Violated in 0 structures by 0.00 A. Peak 1963 from cnoeabs.peaks (3.88, 1.91, 29.24 ppm; 3.49 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.4-2.6 3.0=100 HA LYS 40 - HB2 GLU 43 far 5 94 5 - 4.4-5.4 HA LYS 12 - HB2 ARG 19 far 0 43 0 - 7.2-10.0 HA LYS 12 - HB3 ARG 19 far 0 32 0 - 7.7-9.7 HA ALA 71 - HB2 GLU 43 far 0 63 0 - 9.1-11.5 HB3 SER 49 - HB2 GLU 43 far 0 84 0 - 9.4-11.3 HA LEU 38 - HB2 GLU 43 far 0 99 0 - 9.8-10.6 HA ALA 89 - HB3 ARG 19 far 0 40 0 - 9.9-12.0 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 16 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 - HB3 ARG 19 far 0 45 0 - 4.0-6.4 HB2 GLU 16 - HB2 ARG 19 far 0 59 0 - 4.8-6.9 HB2 MET 21 - HB3 ARG 19 far 0 43 0 - 6.1-8.1 HB2 MET 74 - HB2 GLU 43 far 0 100 0 - 6.2-8.6 HB2 GLU 23 - HB2 ARG 19 far 0 50 0 - 6.2-9.2 HB2 GLU 23 - HB3 ARG 19 far 0 37 0 - 6.4-8.7 HB2 MET 21 - HB2 ARG 19 far 0 57 0 - 6.5-8.1 HG3 GLU 28 - HB3 ARG 19 far 0 47 0 - 6.9-13.4 HG12 ILE 93 - HB3 ARG 19 far 0 33 0 - 7.1-10.3 HG12 ILE 93 - HB2 ARG 19 far 0 44 0 - 7.4-10.2 HG3 GLU 28 - HB2 ARG 19 far 0 62 0 - 7.6-12.4 HG2 GLU 28 - HB3 ARG 19 far 0 47 0 - 7.6-13.6 QE MET 21 - HB3 ARG 19 far 0 27 0 - 7.9-8.8 QE MET 21 - HB2 ARG 19 far 0 36 0 - 8.0-8.6 HG2 GLU 28 - HB2 ARG 19 far 0 62 0 - 8.8-12.2 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 5 assignments used, quality = 1.00: * HG2 GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 16 - HB3 ARG 19 poor 7 36 20 - 3.8-7.5 HB3 GLU 23 - HB2 ARG 19 far 0 35 0 - 5.1-8.5 HB3 GLU 16 - HB2 ARG 19 far 0 49 0 - 5.3-7.6 HB3 GLU 23 - HB3 ARG 19 far 0 26 0 - 5.3-8.1 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 2.6-2.9 3.0=100 HG3 GLU 44 - HB2 GLU 43 far 11 75 15 - 3.9-7.8 HG2 GLU 16 - HB2 ARG 19 far 0 55 0 - 4.6-7.6 HG2 GLU 16 - HB3 ARG 19 far 0 42 0 - 4.6-6.7 HG3 GLU 16 - HB3 ARG 19 far 0 36 0 - 4.7-8.1 HG3 GLU 16 - HB2 ARG 19 far 0 48 0 - 6.0-8.2 HB2 TYR 41 - HB2 GLU 43 far 0 99 0 - 8.2-8.5 HG2 GLU 48 - HB2 GLU 43 far 0 99 0 - 9.4-12.0 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 5 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 43 OK 100 100 100 100 3.2-3.8 6706=100, 6707/1.8=90...(8) H LYS 40 - HB2 GLU 43 far 0 75 0 - 6.9-7.7 H LYS 24 - HB2 ARG 19 far 0 43 0 - 7.1-9.5 H LYS 24 - HB3 ARG 19 far 0 32 0 - 7.4-9.1 H GLU 48 - HB2 GLU 43 far 0 97 0 - 8.2-9.5 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 35 assignments used, quality = 0.99: HA GLU 43 + HB3 GLU 43 OK 94 94 100 100 3.0-3.0 3.0=100 HA GLU 35 + HB3 GLU 35 OK 71 71 100 100 2.2-2.4 3.0=100 * HA LYS 40 + HB3 GLU 43 OK 39 100 90 43 2.8-4.0 6682/6694=20, 1781=18...(4) HB2 SER 102 - HB3 GLU 99 poor 8 41 20 - 2.6-9.6 HB2 SER 102 - HB2 GLU 99 far 5 53 10 - 3.9-10.8 HA2 GLY 101 - HB2 GLU 99 far 4 76 5 - 4.0-7.6 HB2 SER 102 - HB3 GLU 98 far 3 55 5 - 3.7-14.1 HA3 GLY 101 - HB2 GLU 99 far 3 54 5 - 3.5-6.8 HA3 GLY 101 - HB3 GLU 99 far 0 42 0 - 4.0-7.7 HA2 GLY 101 - HB3 GLU 99 far 0 61 0 - 4.0-8.2 HA LYS 12 - HB2 GLU 16 far 0 94 0 - 4.2-7.0 HA2 GLY 100 - HB2 GLU 99 far 0 76 0 - 4.6-5.6 HA2 GLY 100 - HB3 GLU 99 far 0 61 0 - 4.7-6.2 HB2 SER 102 - HB2 GLU 98 far 0 57 0 - 5.0-14.5 HA ALA 67 - HB3 GLU 35 far 0 82 0 - 5.0-7.4 HA LYS 94 - HB2 GLU 98 far 0 81 0 - 5.4-7.3 HA ALA 22 - HB2 GLU 23 far 0 40 0 - 6.5-6.6 HA2 GLY 100 - HB2 GLU 98 far 0 81 0 - 6.6-7.6 HA2 GLY 100 - HB3 GLU 98 far 0 79 0 - 6.6-7.7 HA LEU 38 - HB3 GLU 35 far 0 83 0 - 6.8-8.4 HA LYS 94 - HB3 GLU 98 far 0 79 0 - 6.9-7.9 HA2 GLY 101 - HB3 GLU 98 far 0 79 0 - 7.1-10.7 HA3 GLY 101 - HB3 GLU 98 far 0 57 0 - 7.8-10.7 HA ARG 91 - HB2 GLU 98 far 0 65 0 - 7.9-11.0 HA LYS 94 - HB3 GLU 99 far 0 61 0 - 8.0-10.9 HA2 GLY 101 - HB2 GLU 98 far 0 81 0 - 8.0-11.2 HA LYS 94 - HB2 GLU 99 far 0 76 0 - 8.1-11.0 HA LEU 38 - HB3 GLU 43 far 0 99 0 - 8.3-9.1 HA3 GLY 101 - HB2 GLU 98 far 0 58 0 - 8.5-10.6 HA ALA 71 - HB3 GLU 43 far 0 93 0 - 8.9-10.7 HA ALA 71 - HB3 GLU 35 far 0 74 0 - 9.2-12.1 HA LYS 40 - HB3 GLU 35 far 0 85 0 - 9.2-11.3 HA ARG 91 - HB3 GLU 98 far 0 63 0 - 9.4-11.2 HA ARG 91 - HB2 GLU 99 far 0 61 0 - 9.7-14.1 HA ALA 22 - HB2 GLU 98 far 0 43 0 - 9.7-11.5 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 15 assignments used, quality = 1.00: * H GLU 43 + HB3 GLU 43 OK 100 100 100 100 2.2-2.7 6694=100, 6689/1.8=73...(15) H ASP 36 + HB3 GLU 35 OK 48 83 60 96 4.1-4.3 6558/1.8=67, 6559=43...(11) H SER 97 - HB2 GLU 98 far 7 65 10 - 4.1-5.6 H PHE 96 - HB3 GLU 99 far 0 52 0 - 4.5-8.1 H SER 97 - HB3 GLU 99 far 0 48 0 - 4.6-7.7 H PHE 96 - HB2 GLU 99 far 0 65 0 - 4.6-8.2 H SER 97 - HB2 GLU 99 far 0 61 0 - 4.6-7.9 H PHE 96 - HB2 GLU 98 far 0 70 0 - 4.8-7.1 H SER 97 - HB3 GLU 98 far 0 63 0 - 5.6-6.2 H GLU 104 - HB3 GLU 99 far 0 48 0 - 5.9-10.9 H PHE 96 - HB3 GLU 98 far 0 68 0 - 6.4-7.6 H GLU 104 - HB2 GLU 99 far 0 61 0 - 6.7-10.4 H LYS 68 - HB3 GLU 35 far 0 84 0 - 7.2-10.3 H GLU 104 - HB2 GLU 98 far 0 65 0 - 8.8-15.2 H GLU 104 - HB3 GLU 98 far 0 63 0 - 8.8-14.9 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 34 assignments used, quality = 1.00: * HA GLU 43 + HB3 GLU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 35 + HB3 GLU 35 OK 85 85 100 100 2.2-2.4 3.0=100 HA LYS 40 + HB3 GLU 43 OK 41 94 100 44 2.8-4.0 6682/6694=19, 1781=17...(4) HB2 SER 102 - HB3 GLU 99 poor 15 58 25 - 2.6-9.6 HB2 SER 102 - HB2 GLU 99 far 7 72 10 - 3.9-10.8 HB2 SER 102 - HB3 GLU 98 far 4 75 5 - 3.7-14.1 HA3 GLY 101 - HB2 GLU 99 far 4 73 5 - 3.5-6.8 HA2 GLY 101 - HB2 GLU 99 far 3 67 5 - 4.0-7.6 HA3 GLY 101 - HB3 GLU 99 far 3 59 5 - 4.0-7.7 HA2 GLY 101 - HB3 GLU 99 far 3 54 5 - 4.0-8.2 HA LYS 12 - HB2 GLU 16 far 0 74 0 - 4.2-7.0 HA GLU 63 - HB3 GLU 35 far 0 57 0 - 4.5-7.9 HA2 GLY 100 - HB2 GLU 99 far 0 67 0 - 4.6-5.6 HA2 GLY 100 - HB3 GLU 99 far 0 54 0 - 4.7-6.2 HB2 SER 102 - HB2 GLU 98 far 0 77 0 - 5.0-14.5 HA ALA 67 - HB3 GLU 35 far 0 61 0 - 5.0-7.4 HA LYS 94 - HB2 GLU 98 far 0 72 0 - 5.4-7.3 HA2 GLY 100 - HB2 GLU 98 far 0 72 0 - 6.6-7.6 HA2 GLY 100 - HB3 GLU 98 far 0 70 0 - 6.6-7.7 HA LEU 38 - HB3 GLU 35 far 0 83 0 - 6.8-8.4 HA LYS 94 - HB3 GLU 98 far 0 70 0 - 6.9-7.9 HA2 GLY 101 - HB3 GLU 98 far 0 70 0 - 7.1-10.7 HA3 GLY 101 - HB3 GLU 98 far 0 76 0 - 7.8-10.7 HA ARG 91 - HB2 GLU 98 far 0 80 0 - 7.9-11.0 HA LYS 94 - HB3 GLU 99 far 0 54 0 - 8.0-10.9 HA2 GLY 101 - HB2 GLU 98 far 0 72 0 - 8.0-11.2 HA LYS 94 - HB2 GLU 99 far 0 67 0 - 8.1-11.0 HA LEU 38 - HB3 GLU 43 far 0 99 0 - 8.3-9.1 HA3 GLY 101 - HB2 GLU 98 far 0 78 0 - 8.5-10.6 HA ALA 71 - HB3 GLU 43 far 0 63 0 - 8.9-10.7 HA ALA 71 - HB3 GLU 35 far 0 48 0 - 9.2-12.1 HA LYS 40 - HB3 GLU 35 far 0 75 0 - 9.2-11.3 HA ARG 91 - HB3 GLU 98 far 0 78 0 - 9.4-11.2 HA ARG 91 - HB2 GLU 99 far 0 75 0 - 9.7-14.1 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 33 assignments used, quality = 1.00: * HB2 GLU 43 + HB3 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 19 - HB2 GLU 16 far 0 81 0 - 4.0-6.4 HB2 ARG 19 - HB2 GLU 16 far 0 91 0 - 4.8-6.9 HB2 LYS 20 - HB2 GLU 16 far 0 88 0 - 4.8-8.7 HB3 LYS 20 - HB2 GLU 16 far 0 74 0 - 4.8-8.0 HB3 LYS 12 - HB2 GLU 16 far 0 51 0 - 5.0-7.7 HB3 LYS 13 - HB2 GLU 16 far 0 95 0 - 5.2-7.4 HB2 LYS 20 - HB2 GLU 23 far 0 68 0 - 5.3-7.1 HB2 GLU 17 - HB2 GLU 16 far 0 61 0 - 5.5-7.2 HB2 LYS 94 - HB2 GLU 98 far 0 73 0 - 5.9-8.4 HB2 LYS 13 - HB2 GLU 16 far 0 94 0 - 6.0-8.1 HB3 LYS 20 - HB2 GLU 23 far 0 54 0 - 6.2-7.2 HB2 ARG 19 - HB2 GLU 23 far 0 70 0 - 6.2-9.2 HB3 ARG 19 - HB2 GLU 23 far 0 61 0 - 6.4-8.7 HB2 MET 1 - HB2 GLU 99 far 0 44 0 - 6.5-13.1 HG LEU 42 - HB3 GLU 43 far 0 99 0 - 6.5-7.3 HB2 LYS 94 - HB3 GLU 98 far 0 71 0 - 6.9-9.1 HB3 LYS 47 - HB3 GLU 43 far 0 94 0 - 7.1-9.1 HB2 MET 1 - HB3 GLU 99 far 0 34 0 - 7.2-13.4 HB3 LEU 14 - HB2 GLU 16 far 0 96 0 - 7.2-8.7 HB3 GLU 104 - HB3 GLU 99 far 0 33 0 - 7.2-14.3 HB ILE 8 - HB3 GLU 35 far 0 82 0 - 7.8-10.4 HB VAL 32 - HB3 GLU 35 far 0 53 0 - 8.2-9.1 HG LEU 42 - HB3 GLU 35 far 0 82 0 - 8.3-10.8 HB3 GLU 104 - HB2 GLU 99 far 0 42 0 - 8.3-13.9 HB2 LYS 33 - HB3 GLU 35 far 0 82 0 - 8.7-10.8 HB3 LYS 33 - HB3 GLU 35 far 0 83 0 - 9.0-10.8 HB3 LYS 68 - HB3 GLU 35 far 0 51 0 - 9.0-12.4 HB3 GLU 104 - HB3 GLU 98 far 0 44 0 - 9.2-18.1 HB2 LYS 94 - HB2 GLU 99 far 0 68 0 - 9.2-12.0 HB2 LYS 94 - HB3 GLU 99 far 0 55 0 - 9.6-12.3 HB3 GLU 104 - HB2 GLU 98 far 0 46 0 - 9.7-18.7 HB2 MET 1 - HB3 GLU 98 far 0 46 0 - 10.0-13.4 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 28 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 79 100 100 79 2.2-2.9 3.0=51, 6695/6694=20...(13) HG2 GLU 35 + HB3 GLU 35 OK 73 83 100 88 2.4-3.0 2.9=54, 1.8/1551=19...(23) HG3 GLU 35 + HB3 GLU 35 OK 73 83 100 87 2.2-3.0 2.9=54, 1.8/1558=19...(23) HG2 GLU 98 + HB2 GLU 98 OK 44 60 100 74 2.3-3.0 3.0=51, 4365/3.0=17...(10) HB3 GLU 23 + HB2 GLU 23 OK 44 44 100 100 1.8-1.8 1.8=100 HG2 GLU 98 + HB3 GLU 98 OK 43 58 100 74 2.3-3.0 3.0=51, 4365/3.0=17...(10) HG2 GLU 99 + HB2 GLU 99 OK 38 47 100 80 2.3-3.0 3.0=53, 1.8/2254=13...(14) HG2 GLU 99 + HB3 GLU 99 OK 29 37 100 80 2.3-3.0 3.0=53, 1.8/2254=13...(14) HG2 GLU 99 - HB2 GLU 98 far 8 51 15 - 3.2-7.6 HG2 GLU 99 - HB3 GLU 98 far 2 49 5 - 3.1-6.7 HB3 GLU 95 - HB2 GLU 98 far 0 55 0 - 3.6-7.6 HB3 GLU 95 - HB2 GLU 99 far 0 51 0 - 3.7-8.5 HB2 GLU 95 - HB2 GLU 99 far 0 68 0 - 3.8-7.7 HB2 GLU 95 - HB2 GLU 98 far 0 73 0 - 4.1-6.8 HB2 GLU 95 - HB3 GLU 99 far 0 55 0 - 4.3-7.9 HB3 GLU 95 - HB3 GLU 99 far 0 40 0 - 4.6-9.4 HB3 GLU 95 - HB3 GLU 98 far 0 54 0 - 4.7-7.2 HB2 GLU 95 - HB3 GLU 98 far 0 71 0 - 5.2-7.7 HG2 MET 1 - HB2 GLU 99 far 0 73 0 - 5.9-12.2 HG2 GLU 98 - HB3 GLU 99 far 0 44 0 - 5.9-8.6 HG2 GLU 98 - HB2 GLU 99 far 0 56 0 - 6.0-8.3 HG2 MET 1 - HB3 GLU 99 far 0 59 0 - 6.2-12.7 HB2 GLU 63 - HB3 GLU 35 far 0 83 0 - 6.3-9.3 HB3 GLU 23 - HB2 GLU 16 far 0 61 0 - 8.2-11.2 HG3 PRO 86 - HB2 GLU 16 far 0 95 0 - 9.1-11.9 HG2 GLU 43 - HB3 GLU 35 far 0 85 0 - 9.8-13.1 HG2 MET 1 - HB2 GLU 98 far 0 78 0 - 10.0-13.9 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 11 assignments used, quality = 1.00: * HG3 GLU 43 + HB3 GLU 43 OK 96 100 100 96 2.2-3.0 3.0=77, 6696/6694=30...(20) HG2 GLU 16 + HB2 GLU 16 OK 88 89 100 98 2.8-3.0 3.0=76, 712/3.0=33...(24) HG3 GLU 16 + HB2 GLU 16 OK 78 80 100 98 2.2-2.8 3.0=76, 1.8/713=27...(22) HG3 GLU 44 - HB3 GLU 43 lone 4 75 30 19 3.3-6.9 4.8/6707=17, 2247=2 HB2 TYR 41 - HB3 GLU 43 far 0 99 0 - 6.6-7.1 HG2 GLU 63 - HB3 GLU 35 far 0 64 0 - 6.8-10.3 HG3 GLU 69 - HB3 GLU 35 far 0 75 0 - 8.3-11.7 HD3 ARG 81 - HB2 GLU 99 far 0 70 0 - 9.4-14.2 HG2 GLU 48 - HB3 GLU 43 far 0 99 0 - 9.7-12.3 HB2 TYR 41 - HB3 GLU 35 far 0 83 0 - 9.8-12.7 HD3 ARG 81 - HB3 GLU 99 far 0 56 0 - 9.9-14.3 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 6 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 43 OK 100 100 100 100 2.4-2.9 6707=100, 6706/1.8=67...(9) H LYS 24 + HB2 GLU 23 OK 50 54 100 92 3.0-4.0 4.6=40, 6377/3.0=38...(10) H LYS 40 - HB3 GLU 43 far 0 75 0 - 5.2-6.3 H LYS 40 - HB3 GLU 35 far 0 57 0 - 6.8-8.7 H GLU 48 - HB3 GLU 43 far 0 97 0 - 8.6-10.0 H LYS 24 - HB2 GLU 16 far 0 74 0 - 10.0-12.6 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 10 assignments used, quality = 1.00: * H GLU 43 + HG2 GLU 43 OK 100 100 100 100 2.5-2.9 6695=88, 6696/1.8=76...(15) H ASP 36 + HG2 GLU 35 OK 89 95 95 98 2.1-4.6 6558/2.9=59, 6561=47...(15) H ASP 36 + HG3 GLU 35 OK 79 95 85 98 2.2-4.8 6558/2.9=59, 6561=43...(15) H SER 97 - HG2 GLU 98 far 3 33 10 - 3.8-6.2 H PHE 96 - HG2 GLU 98 far 0 35 0 - 5.1-8.0 H LYS 68 - HG2 GLU 35 far 0 96 0 - 7.1-12.2 H LYS 68 - HG3 GLU 35 far 0 96 0 - 8.0-11.9 H GLU 43 - HG3 GLU 35 far 0 97 0 - 9.0-12.8 H GLU 43 - HG2 GLU 35 far 0 97 0 - 9.5-12.3 H ASP 36 - HG2 GLU 43 far 0 99 0 - 9.9-11.3 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...(22) HA GLU 35 + HG3 GLU 35 OK 95 96 100 98 2.6-3.7 4.1=47, 3.0/1538=24...(32) HA GLU 35 + HG2 GLU 35 OK 62 96 65 99 2.7-4.2 4.1=47, 1532/1.8=24...(32) HA LYS 40 + HG2 GLU 43 OK 31 94 60 55 2.8-4.5 6682/6695=16...(8) HA ALA 67 - HG2 GLU 35 far 0 73 0 - 4.4-9.4 HA LYS 94 - HG2 GLU 98 far 0 37 0 - 4.5-7.1 HB2 SER 102 - HG2 GLU 98 far 0 40 0 - 5.6-16.1 HA ALA 67 - HG3 GLU 35 far 0 73 0 - 5.7-9.0 HA GLU 63 - HG2 GLU 35 far 0 69 0 - 5.8-10.5 HA LEU 38 - HG3 GLU 35 far 0 95 0 - 6.3-8.5 HA LEU 38 - HG2 GLU 35 far 0 95 0 - 6.6-9.4 HA ALA 71 - HG2 GLU 43 far 0 63 0 - 6.7-9.9 HA GLU 63 - HG3 GLU 35 far 0 69 0 - 6.7-10.2 HA ALA 71 - HG2 GLU 75 far 0 23 0 - 7.3-8.9 HA ALA 71 - HG3 GLU 75 far 0 25 0 - 7.4-8.9 HA2 GLY 100 - HG2 GLU 98 far 0 37 0 - 7.8-8.7 HA LYS 40 - HG2 GLU 35 far 0 88 0 - 7.9-10.8 HA LYS 40 - HG3 GLU 35 far 0 88 0 - 8.0-11.0 HA ALA 71 - HG3 GLU 35 far 0 58 0 - 8.0-12.0 HA LEU 38 - HG2 GLU 43 far 0 99 0 - 8.1-9.0 HA2 GLY 101 - HG2 GLU 98 far 0 37 0 - 8.1-12.2 HA ARG 91 - HG2 GLU 98 far 0 42 0 - 8.3-11.2 HB3 SER 49 - HG3 GLU 75 far 0 35 0 - 8.3-12.1 HA ALA 71 - HG2 GLU 35 far 0 58 0 - 8.7-11.9 HA GLU 43 - HG3 GLU 75 far 0 49 0 - 8.9-11.3 HB3 SER 49 - HG2 GLU 75 far 0 33 0 - 9.0-11.6 HA3 GLY 101 - HG2 GLU 98 far 0 40 0 - 9.1-12.1 HA GLU 35 - HG2 GLU 43 far 0 100 0 - 9.8-11.7 HA GLU 43 - HG2 GLU 75 far 0 46 0 - 9.9-11.7 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 17 assignments used, quality = 1.00: * HB2 GLU 43 + HG2 GLU 43 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 94 - HG2 GLU 98 far 0 37 0 - 5.1-8.7 HG LEU 42 - HG2 GLU 43 far 0 99 0 - 6.2-6.9 HG LEU 42 - HG3 GLU 35 far 0 94 0 - 7.6-11.4 HB3 LYS 33 - HG3 GLU 35 far 0 95 0 - 7.9-11.3 HB3 LYS 33 - HG2 GLU 35 far 0 95 0 - 8.0-11.6 HG LEU 42 - HG2 GLU 35 far 0 94 0 - 8.4-10.9 HB VAL 32 - HG3 GLU 35 far 0 64 0 - 8.5-10.5 HB VAL 32 - HG2 GLU 35 far 0 64 0 - 8.7-11.0 HB3 LYS 47 - HG2 GLU 43 far 0 94 0 - 8.8-10.7 HB ILE 8 - HG2 GLU 35 far 0 94 0 - 8.9-12.4 HB2 LYS 33 - HG3 GLU 35 far 0 94 0 - 9.1-12.0 HB2 LYS 33 - HG2 GLU 35 far 0 94 0 - 9.4-11.5 HB3 LYS 68 - HG2 GLU 35 far 0 62 0 - 9.6-14.7 HB ILE 8 - HG3 GLU 35 far 0 94 0 - 9.7-12.1 HB2 MET 1 - HG2 GLU 98 far 0 23 0 - 9.9-13.6 HB3 LYS 68 - HG3 GLU 35 far 0 62 0 - 9.9-14.7 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 17 assignments used, quality = 1.00: * HB3 GLU 43 + HG2 GLU 43 OK 86 100 100 86 2.2-2.9 3.0=59, 700/1.8=22...(16) HB3 GLU 35 + HG2 GLU 35 OK 83 90 100 92 2.4-3.0 2.9=63, 1.8/1538=24...(25) HB3 GLU 35 + HG3 GLU 35 OK 82 90 100 92 2.2-3.0 2.9=63, 1.8/1539=24...(25) HB2 GLU 98 + HG2 GLU 98 OK 28 35 100 80 2.3-3.0 3.0=58, 3.0/4365=22...(10) HB3 GLU 98 + HG2 GLU 98 OK 27 34 100 80 2.3-3.0 3.0=58, 3.0/4365=22...(10) HB3 LEU 38 - HG3 GLU 35 far 0 95 0 - 3.5-7.0 HB3 LEU 38 - HG2 GLU 35 far 0 95 0 - 4.0-8.0 HB2 MET 74 - HG3 GLU 75 far 0 49 0 - 5.0-7.1 HB2 MET 74 - HG2 GLU 43 far 0 100 0 - 5.0-7.2 HB2 MET 74 - HG2 GLU 75 far 0 46 0 - 5.7-7.5 HB3 GLU 99 - HG2 GLU 98 far 0 29 0 - 5.9-8.6 HB2 GLU 99 - HG2 GLU 98 far 0 34 0 - 6.0-8.3 QE MET 21 - HG2 GLU 98 far 0 24 0 - 6.4-8.3 HB3 LEU 38 - HG2 GLU 43 far 0 99 0 - 8.0-10.6 HB3 GLU 62 - HG2 GLU 35 far 0 81 0 - 9.4-14.3 HB2 MET 74 - HG3 GLU 35 far 0 97 0 - 9.4-14.2 HB3 GLU 35 - HG2 GLU 43 far 0 96 0 - 9.8-13.1 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 13 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 - 5.1-8.9 HB2 TYR 41 - HG2 GLU 43 far 0 99 0 - 7.1-8.1 HG2 GLU 63 - HG2 GLU 35 far 0 76 0 - 8.7-12.7 HG3 GLU 43 - HG3 GLU 35 far 0 97 0 - 8.7-12.2 HG3 GLU 43 - HG2 GLU 35 far 0 97 0 - 8.9-12.1 HB2 TYR 41 - HG3 GLU 35 far 0 95 0 - 9.1-12.0 HG3 GLU 43 - HG2 GLU 75 far 0 46 0 - 9.3-13.9 HG3 GLU 43 - HG3 GLU 75 far 0 49 0 - 9.4-13.5 HG3 GLU 69 - HG2 GLU 35 far 0 88 0 - 9.4-13.8 HG2 GLU 63 - HG3 GLU 35 far 0 76 0 - 9.5-12.6 HB2 TYR 41 - HG2 GLU 35 far 0 95 0 - 9.6-13.2 HG3 GLU 69 - HG3 GLU 35 far 0 88 0 - 9.8-13.7 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 5 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 43 OK 100 100 100 100 4.2-4.8 6707/3.0=80, 6706/3.0=76...(10) H LYS 40 + HG2 GLU 43 OK 26 75 45 77 4.7-6.2 6638/10591=26...(15) H LYS 40 - HG2 GLU 35 far 0 69 0 - 5.8-8.5 H LYS 40 - HG3 GLU 35 far 0 69 0 - 5.8-8.6 H GLU 48 - HG2 GLU 43 far 0 97 0 - 9.7-11.3 Violated in 4 structures by 0.01 A. Peak 1984 from cnoeabs.peaks (8.19, 2.32, 36.31 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.2-3.6 6696=100, 6695/1.8=73...(21) H LYS 68 - HG3 GLU 69 poor 13 43 30 - 4.4-6.1 H LYS 68 - HG2 GLU 63 far 0 41 0 - 8.7-9.7 H ASP 36 - HG3 GLU 43 far 0 99 0 - 9.7-12.2 H ASP 36 - HG2 GLU 63 far 0 41 0 - 9.7-12.5 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 15 assignments used, quality = 1.00: * HA GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.2-3.7 3.7=88, 2.9/6696=54...(32) HA LYS 40 + HG3 GLU 43 OK 37 94 60 66 2.0-5.4 6682/6696=21, 1956=21...(11) HA GLU 63 + HG2 GLU 63 OK 26 26 100 98 2.6-3.8 3.8=76, 2767/1.8=44...(15) HA LYS 12 - HG2 GLU 16 poor 14 44 70 46 4.0-6.6 3.7/10604=23...(4) HA LYS 12 - HG3 GLU 16 far 0 33 0 - 4.4-6.5 HA ALA 67 - HG3 GLU 69 far 0 29 0 - 6.6-8.2 HA ALA 71 - HG3 GLU 43 far 0 63 0 - 6.9-10.0 HA GLU 35 - HG2 GLU 63 far 0 42 0 - 7.1-10.1 HA LEU 38 - HG3 GLU 43 far 0 99 0 - 7.5-9.8 HA ALA 67 - HG2 GLU 63 far 0 28 0 - 8.3-9.2 HA ALA 71 - HG3 GLU 69 far 0 22 0 - 8.6-9.6 HA GLU 63 - HG3 GLU 69 far 0 27 0 - 9.0-10.8 HB3 SER 49 - HG3 GLU 43 far 0 84 0 - 9.6-13.0 HA GLU 35 - HG3 GLU 69 far 0 44 0 - 9.8-12.6 HA GLU 35 - HG3 GLU 43 far 0 100 0 - 9.8-12.4 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 27 assignments used, quality = 1.00: * HB2 GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.6-2.9 3.0=100 HB ILE 8 - HG2 GLU 63 poor 14 40 35 - 3.6-6.5 HB3 LYS 68 - HG3 GLU 69 poor 6 24 25 - 3.3-6.7 HB3 LYS 13 - HG3 GLU 16 far 2 47 5 - 4.2-6.5 HB3 LYS 12 - HG3 GLU 16 far 2 22 10 - 4.2-7.0 HB3 LYS 13 - HG2 GLU 16 far 0 61 0 - 4.4-7.5 HB2 ARG 19 - HG2 GLU 16 far 0 57 0 - 4.6-7.6 HB3 ARG 19 - HG2 GLU 16 far 0 49 0 - 4.6-6.7 HB3 LYS 12 - HG2 GLU 16 far 0 29 0 - 4.7-7.2 HB3 ARG 19 - HG3 GLU 16 far 0 37 0 - 4.7-8.1 HB2 LYS 13 - HG3 GLU 16 far 0 46 0 - 4.9-6.7 HB2 GLU 17 - HG3 GLU 16 far 0 26 0 - 4.9-8.0 HB2 GLU 17 - HG2 GLU 16 far 0 35 0 - 4.9-8.0 HB2 LYS 13 - HG2 GLU 16 far 0 60 0 - 5.0-7.5 HB3 LYS 20 - HG2 GLU 16 far 0 44 0 - 5.5-9.1 HB3 LEU 14 - HG2 GLU 16 far 0 62 0 - 5.9-7.7 HB3 LYS 20 - HG3 GLU 16 far 0 33 0 - 5.9-9.4 HG LEU 42 - HG3 GLU 43 far 0 99 0 - 5.9-7.5 HB2 ARG 19 - HG3 GLU 16 far 0 44 0 - 6.0-8.2 HB3 LEU 14 - HG3 GLU 16 far 0 48 0 - 6.1-7.9 HB2 LYS 20 - HG2 GLU 16 far 0 55 0 - 6.5-10.2 HB2 LYS 20 - HG3 GLU 16 far 0 42 0 - 7.1-10.6 HB VAL 32 - HG2 GLU 63 far 0 24 0 - 7.2-10.2 HB3 LYS 33 - HG2 GLU 63 far 0 41 0 - 8.2-13.5 HB3 LYS 47 - HG3 GLU 43 far 0 94 0 - 8.5-10.7 HB2 LYS 33 - HG2 GLU 63 far 0 40 0 - 9.0-13.2 HB3 LYS 68 - HG2 GLU 63 far 0 23 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 1987 from cnoeabs.peaks (2.06, 2.32, 36.31 ppm; 3.12 A): 3 out of 15 assignments used, quality = 1.00: * HB3 GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 16 + HG2 GLU 16 OK 59 59 100 100 2.8-3.0 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 far 5 100 5 - 3.8-7.6 HB3 GLU 62 - HG2 GLU 63 far 5 32 15 - 3.3-7.3 HB3 GLU 35 - HG2 GLU 63 far 0 37 0 - 6.8-10.3 HB3 LEU 38 - HG3 GLU 43 far 0 99 0 - 8.0-10.6 HB3 LEU 38 - HG2 GLU 63 far 0 41 0 - 8.1-11.4 HB3 GLU 35 - HG3 GLU 69 far 0 39 0 - 8.3-11.7 HB2 MET 21 - HG2 GLU 16 far 0 57 0 - 8.3-12.0 HB2 MET 21 - HG3 GLU 16 far 0 44 0 - 8.3-12.6 HG12 ILE 93 - HG2 GLU 16 far 0 45 0 - 9.7-13.5 QE MET 21 - HG2 GLU 16 far 0 36 0 - 9.7-11.9 QE MET 21 - HG3 GLU 16 far 0 27 0 - 9.7-12.4 HB3 LEU 38 - HG3 GLU 69 far 0 43 0 - 9.8-12.9 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 2.2-2.8 3.0=51, 1.8/700=22...(14) HB3 GLU 16 + HG3 GLU 16 OK 32 37 100 84 2.2-3.0 3.0=51, 6238/6240=17...(12) HB2 GLU 63 + HG2 GLU 63 OK 30 41 100 74 2.3-3.0 3.0=52, 3.0/2766=12...(9) HB2 GLN 72 - HG3 GLU 69 far 0 32 0 - 5.1-7.4 HG3 PRO 86 - HG3 GLU 16 far 0 47 0 - 6.9-11.2 HG3 PRO 86 - HG2 GLU 16 far 0 61 0 - 7.1-11.7 HB3 GLU 75 - HG3 GLU 43 far 0 100 0 - 8.3-12.1 HG2 GLU 35 - HG2 GLU 63 far 0 41 0 - 8.7-12.7 HG3 GLU 35 - HG3 GLU 43 far 0 99 0 - 8.7-12.2 HG2 GLU 35 - HG3 GLU 43 far 0 99 0 - 8.9-12.1 HG2 GLU 75 - HG3 GLU 43 far 0 96 0 - 9.3-13.9 HG3 GLU 75 - HG3 GLU 43 far 0 97 0 - 9.4-13.5 HG2 GLU 35 - HG3 GLU 69 far 0 43 0 - 9.4-13.8 HG3 GLU 35 - HG2 GLU 63 far 0 41 0 - 9.5-12.6 HG3 GLU 35 - HG3 GLU 69 far 0 43 0 - 9.8-13.7 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 4.1-5.0 6707/3.0=89, 6706/3.0=86...(13) H LYS 40 + HG3 GLU 43 OK 34 75 50 90 4.3-7.1 9589/10280=25...(22) HD22 ASN 10 - HG2 GLU 63 far 0 42 0 - 8.2-12.8 H GLU 48 - HG3 GLU 43 far 0 97 0 - 9.4-11.6 Violated in 3 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (7.60, 3.94, 58.87 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 48 - HA GLU 44 far 0 97 0 - 5.3-6.3 H LYS 40 - HA GLU 44 far 0 75 0 - 8.9-9.7 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): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-3.0 3.0=93, 3.0/1995=36...(23) HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.2-2.5 3.0=93, 3.0/1995=36...(24) HB2 ARG 46 - HA GLU 44 far 0 84 0 - 4.5-7.0 HB2 LYS 47 - HA GLU 44 far 0 73 0 - 4.9-6.0 QE MET 74 - HA GLU 44 far 0 100 0 - 6.5-7.3 HB3 MET 74 - HA GLU 44 far 0 61 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 1994 from cnoeabs.peaks (2.00, 3.94, 58.87 ppm; 2.94 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-3.0 3.0=93, 3.0/1995=36...(23) * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.2-2.5 3.0=93, 3.0/1995=36...(24) HB2 ARG 46 - HA GLU 44 far 0 84 0 - 4.5-7.0 HB2 LYS 47 - HA GLU 44 far 0 73 0 - 4.9-6.0 QE MET 74 - HA GLU 44 far 0 100 0 - 6.5-7.3 HB3 MET 74 - HA GLU 44 far 0 61 0 - 9.3-10.9 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 3.4-3.7 4.0=79, 1.8/1996=72...(16) Violated in 11 structures by 0.02 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 2.5-3.9 4.0=83, 1.8/1995=75...(18) HG2 GLU 48 - HA GLU 44 far 0 92 0 - 5.9-8.4 HG3 GLU 43 - HA GLU 44 far 0 75 0 - 6.3-6.5 HB2 TYR 41 - HA GLU 44 far 0 59 0 - 7.0-8.3 Violated in 2 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 3.4-3.5 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 3.5-4.3 6758=100, 6755/6740=54...(14) HE ARG 46 - HA GLU 44 far 0 100 0 - 6.1-9.9 Violated in 0 structures by 0.00 A. Peak 1999 from cnoeabs.peaks (1.97, 3.94, 58.87 ppm; 3.02 A): 2 out of 7 assignments used, quality = 0.93: HB3 GLU 44 + HA GLU 44 OK 73 73 100 100 2.2-2.5 3.0=100 HB2 GLU 44 + HA GLU 44 OK 73 73 100 100 2.4-3.0 3.0=100 HB3 ARG 46 - HA GLU 44 far 0 99 0 - 4.5-6.6 HB2 ARG 46 - HA GLU 44 far 0 100 0 - 4.5-7.0 ! HB2 LYS 47 - HA GLU 44 far 0 100 0 - 4.9-6.0 QE MET 74 - HA GLU 44 far 0 71 0 - 6.5-7.3 HB3 MET 74 - HA GLU 44 far 0 100 0 - 9.3-10.9 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 = 0.99: * HB3 LYS 47 + HA GLU 44 OK 94 100 95 99 3.6-4.9 2145=61, 1.8/2133=55...(14) HB2 GLU 43 + HA GLU 44 OK 90 94 100 95 4.1-4.6 6706/3.0=58, ~6707=39...(12) HB3 ARG 46 - HA GLU 44 poor 17 68 25 - 4.5-6.6 HG LEU 42 - HA GLU 44 far 0 81 0 - 8.8-9.1 HB3 MET 74 - HA GLU 44 far 0 61 0 - 9.3-10.9 Violated in 14 structures by 0.06 A. Peak 2001 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.92 A): 3 out of 10 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 98 99 100 100 2.4-3.0 3.0=91, 1995/3.0=34...(21) HA GLU 44 + HB3 GLU 44 OK 98 99 100 99 2.2-2.5 3.0=91, 1995/3.0=34...(21) * HA TYR 41 + HB2 GLU 44 OK 78 100 95 83 2.3-4.1 1881=46, 1879/3.9=22...(10) HA TYR 41 - HB3 GLU 44 far 5 100 5 - 3.8-5.0 HA GLU 63 - HB2 GLU 62 far 4 78 5 - 3.8-5.4 HA ALA 89 - HB3 GLU 17 far 0 46 0 - 6.4-8.2 HA ARG 91 - HB3 GLU 17 far 0 30 0 - 7.9-11.1 HB2 SER 85 - HB3 GLU 17 far 0 48 0 - 8.0-10.7 HB3 SER 9 - HB3 GLU 17 far 0 63 0 - 8.1-9.8 HB2 SER 102 - HB2 GLN 50 far 0 30 0 - 9.8-20.2 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 9 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.1-2.8 3.9=51, 6711/1.8=39...(20) H GLU 44 + HB3 GLU 44 OK 98 100 100 98 2.8-3.6 3.9=51, 6711/1.8=40...(19) HE22 GLN 50 + HB2 GLN 50 OK 22 41 95 58 1.9-4.3 4.5=34, 9096/3.0=27...(4) H GLU 48 - HB3 GLU 44 far 0 97 0 - 5.7-8.0 H GLU 48 - HB2 GLU 44 far 0 97 0 - 6.2-8.1 H GLU 88 - HB3 GLU 17 far 0 41 0 - 6.3-8.6 H GLU 48 - HB2 GLN 50 far 0 47 0 - 6.3-8.1 H LYS 40 - HB2 GLU 44 far 0 75 0 - 7.0-8.5 H LYS 40 - HB3 GLU 44 far 0 75 0 - 8.1-9.7 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 100 100 100 100 2.4-3.0 3.0=91, 1995/3.0=35...(21) HA GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.5 3.0=91, 1995/3.0=35...(21) HA TYR 41 + HB2 GLU 44 OK 77 99 95 82 2.3-4.1 1881=46, 1879/3.9=22...(10) HA TYR 41 - HB3 GLU 44 far 5 99 5 - 3.8-5.0 HA GLU 63 - HB2 GLU 62 far 3 68 5 - 3.8-5.4 HA ALA 89 - HB3 GLU 17 far 0 34 0 - 6.4-8.2 HB2 SER 85 - HB3 GLU 17 far 0 37 0 - 8.0-10.7 HB3 SER 9 - HB3 GLU 17 far 0 60 0 - 8.1-9.8 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 13 assignments used, quality = 0.98: * HG2 GLU 44 + HB2 GLU 44 OK 86 100 100 86 2.2-2.5 3.0=59, 1995/3.0=25...(14) HG2 GLU 44 + HB3 GLU 44 OK 86 100 100 86 2.9-3.0 3.0=59, 1995/3.0=25...(14) HB2 PRO 86 - HB3 GLU 17 poor 17 57 30 - 2.8-4.6 HB3 PRO 86 - HB3 GLU 17 poor 8 41 75 26 2.4-4.4 12333/3.0=7, ~12333=6...(7) HB3 GLU 16 - HB3 GLU 17 far 0 40 0 - 4.7-6.4 HB2 LEU 64 - HB2 GLU 62 far 0 69 0 - 6.5-7.0 QE MET 21 - HB3 GLU 17 far 0 34 0 - 7.2-9.1 HB VAL 83 - HB3 GLU 17 far 0 51 0 - 8.2-10.2 HG2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.9-11.2 HB3 GLU 37 - HB2 GLU 44 far 0 99 0 - 9.0-10.9 HG2 GLU 88 - HB3 GLU 17 far 0 62 0 - 9.2-12.0 HB2 GLU 69 - HB2 GLU 62 far 0 82 0 - 9.3-11.7 HB3 GLU 37 - HB3 GLU 44 far 0 99 0 - 9.8-12.1 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 10 assignments used, quality = 1.00: HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.3-2.7 3.0=100 * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 16 - HB3 GLU 17 far 6 57 10 - 4.0-7.1 HB2 TYR 41 - HB2 GLU 44 far 0 59 0 - 4.2-6.2 HG2 GLU 48 - HB3 GLU 44 far 0 92 0 - 5.6-9.1 HB2 TYR 41 - HB3 GLU 44 far 0 59 0 - 5.8-7.7 HG2 GLU 48 - HB2 GLN 50 far 0 43 0 - 5.8-8.7 HG3 GLU 43 - HB2 GLU 44 far 0 75 0 - 5.8-7.6 HG2 GLU 48 - HB2 GLU 44 far 0 92 0 - 6.5-9.7 HG3 GLU 43 - HB3 GLU 44 far 0 75 0 - 6.7-8.2 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 98 100 100 98 2.5-4.0 6725=80, 6722/3.9=45...(12) H PHE 45 + HB3 GLU 44 OK 97 100 100 97 3.6-4.4 6725/1.8=66, 4.7=46...(9) H LYS 94 - HB3 GLU 17 far 0 63 0 - 8.7-10.5 H GLU 23 - HB3 GLU 17 far 0 56 0 - 9.6-10.3 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 10 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 98 99 100 100 2.4-3.0 3.0=91, 1995/3.0=34...(21) HA GLU 44 + HB3 GLU 44 OK 98 99 100 99 2.2-2.5 3.0=91, 1995/3.0=34...(21) HA TYR 41 + HB2 GLU 44 OK 78 100 95 83 2.3-4.1 1881=46, 1879/3.9=22...(10) ! HA TYR 41 - HB3 GLU 44 far 5 100 5 - 3.8-5.0 HA GLU 63 - HB2 GLU 62 far 4 78 5 - 3.8-5.4 HA ALA 89 - HB3 GLU 17 far 0 46 0 - 6.4-8.2 HA ARG 91 - HB3 GLU 17 far 0 30 0 - 7.9-11.1 HB2 SER 85 - HB3 GLU 17 far 0 48 0 - 8.0-10.7 HB3 SER 9 - HB3 GLU 17 far 0 63 0 - 8.1-9.8 HB2 SER 102 - HB2 GLN 50 far 0 30 0 - 9.8-20.2 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 9 assignments used, quality = 1.00: H GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.1-2.8 3.9=51, 6711/1.8=39...(20) * H GLU 44 + HB3 GLU 44 OK 98 100 100 98 2.8-3.6 3.9=51, 6711/1.8=40...(19) HE22 GLN 50 + HB2 GLN 50 OK 22 41 95 58 1.9-4.3 4.5=34, 9096/3.0=27...(4) H GLU 48 - HB3 GLU 44 far 0 97 0 - 5.7-8.0 H GLU 48 - HB2 GLU 44 far 0 97 0 - 6.2-8.1 H GLU 88 - HB3 GLU 17 far 0 41 0 - 6.3-8.6 H GLU 48 - HB2 GLN 50 far 0 47 0 - 6.3-8.1 H LYS 40 - HB2 GLU 44 far 0 75 0 - 7.0-8.5 H LYS 40 - HB3 GLU 44 far 0 75 0 - 8.1-9.7 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 100 100 100 100 2.4-3.0 3.0=91, 1995/3.0=35...(21) * HA GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.5 3.0=91, 1995/3.0=35...(21) HA TYR 41 + HB2 GLU 44 OK 77 99 95 82 2.3-4.1 1881=46, 1879/3.9=22...(10) HA TYR 41 - HB3 GLU 44 far 5 99 5 - 3.8-5.0 HA GLU 63 - HB2 GLU 62 far 3 68 5 - 3.8-5.4 HA ALA 89 - HB3 GLU 17 far 0 34 0 - 6.4-8.2 HB2 SER 85 - HB3 GLU 17 far 0 37 0 - 8.0-10.7 HB3 SER 9 - HB3 GLU 17 far 0 60 0 - 8.1-9.8 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 13 assignments used, quality = 0.98: HG2 GLU 44 + HB2 GLU 44 OK 86 100 100 86 2.2-2.5 3.0=59, 1995/3.0=25...(14) * HG2 GLU 44 + HB3 GLU 44 OK 86 100 100 86 2.9-3.0 3.0=59, 1995/3.0=25...(14) HB2 PRO 86 - HB3 GLU 17 poor 17 57 30 - 2.8-4.6 HB3 PRO 86 - HB3 GLU 17 poor 8 41 75 26 2.4-4.4 12333/3.0=7, ~12333=6...(7) HB3 GLU 16 - HB3 GLU 17 far 0 40 0 - 4.7-6.4 HB2 LEU 64 - HB2 GLU 62 far 0 69 0 - 6.5-7.0 QE MET 21 - HB3 GLU 17 far 0 34 0 - 7.2-9.1 HB VAL 83 - HB3 GLU 17 far 0 51 0 - 8.2-10.2 HG2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.9-11.2 HB3 GLU 37 - HB2 GLU 44 far 0 99 0 - 9.0-10.9 HG2 GLU 88 - HB3 GLU 17 far 0 62 0 - 9.2-12.0 HB2 GLU 69 - HB2 GLU 62 far 0 82 0 - 9.3-11.7 HB3 GLU 37 - HB3 GLU 44 far 0 99 0 - 9.8-12.1 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 10 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 16 - HB3 GLU 17 far 6 57 10 - 4.0-7.1 HB2 TYR 41 - HB2 GLU 44 far 0 59 0 - 4.2-6.2 HG2 GLU 48 - HB3 GLU 44 far 0 92 0 - 5.6-9.1 HB2 TYR 41 - HB3 GLU 44 far 0 59 0 - 5.8-7.7 HG2 GLU 48 - HB2 GLN 50 far 0 43 0 - 5.8-8.7 HG3 GLU 43 - HB2 GLU 44 far 0 75 0 - 5.8-7.6 HG2 GLU 48 - HB2 GLU 44 far 0 92 0 - 6.5-9.7 HG3 GLU 43 - HB3 GLU 44 far 0 75 0 - 6.7-8.2 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 98 100 100 98 2.5-4.0 6725=80, 6722/3.9=45...(12) * H PHE 45 + HB3 GLU 44 OK 97 100 100 97 3.6-4.4 6725/1.8=66, 4.7=46...(9) H LYS 94 - HB3 GLU 17 far 0 63 0 - 8.7-10.5 H GLU 23 - HB3 GLU 17 far 0 56 0 - 9.6-10.3 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 3 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.9-4.2 6713=100, 3.0/1995=78...(20) H GLU 48 - HG2 GLU 44 far 0 97 0 - 5.9-9.1 H LYS 40 - HG2 GLU 44 far 0 75 0 - 6.2-10.0 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 3 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 3.4-3.7 1995=100, 1996/1.8=81...(16) HA TYR 41 + HG2 GLU 44 OK 82 99 90 92 2.0-5.2 1881/3.0=51...(10) HA GLU 63 - HG2 GLU 69 far 0 77 0 - 7.6-9.2 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 12 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.9-3.0 3.0=100 QE MET 74 - HG2 GLU 44 far 0 100 0 - 6.2-8.3 HB2 ARG 46 - HG2 GLU 44 far 0 84 0 - 6.6-9.1 HB3 GLU 99 - HG2 GLU 104 far 0 55 0 - 6.7-13.2 HB2 LYS 47 - HG2 GLU 44 far 0 73 0 - 6.8-9.5 HB2 GLU 35 - HG2 GLU 69 far 0 91 0 - 7.4-12.2 QE MET 1 - HG2 GLU 104 far 0 77 0 - 8.1-15.1 HB2 GLU 62 - HG2 GLU 69 far 0 86 0 - 8.9-11.2 HB2 GLU 37 - HG2 GLU 44 far 0 88 0 - 9.4-12.5 HB3 MET 74 - HG2 GLU 44 far 0 61 0 - 9.4-11.7 QE MET 74 - HG2 GLU 69 far 0 93 0 - 9.8-11.1 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 12 assignments used, quality = 1.00: HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.5 3.0=100 * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.9-3.0 3.0=100 QE MET 74 - HG2 GLU 44 far 0 100 0 - 6.2-8.3 HB2 ARG 46 - HG2 GLU 44 far 0 84 0 - 6.6-9.1 HB3 GLU 99 - HG2 GLU 104 far 0 55 0 - 6.7-13.2 HB2 LYS 47 - HG2 GLU 44 far 0 73 0 - 6.8-9.5 HB2 GLU 35 - HG2 GLU 69 far 0 91 0 - 7.4-12.2 QE MET 1 - HG2 GLU 104 far 0 77 0 - 8.1-15.1 HB2 GLU 62 - HG2 GLU 69 far 0 86 0 - 8.9-11.2 HB2 GLU 37 - HG2 GLU 44 far 0 88 0 - 9.4-12.5 HB3 MET 74 - HG2 GLU 44 far 0 61 0 - 9.4-11.7 QE MET 74 - HG2 GLU 69 far 0 93 0 - 9.8-11.1 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 - 3.8-6.6 HG3 GLU 43 - HG2 GLU 44 far 0 75 0 - 5.6-8.6 HG2 GLU 48 - HG2 GLU 44 far 0 92 0 - 6.1-9.8 Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (8.26, 2.13, 35.75 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 45 + HG2 GLU 44 OK 100 100 100 100 2.2-4.4 6722/6713=76...(11) H LEU 103 + HG2 GLU 104 OK 34 73 75 62 4.0-6.8 7548/4.9=62 H ALA 71 - HG2 GLU 69 far 0 93 0 - 6.0-7.1 Violated in 0 structures by 0.00 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 2.4-4.5 6713/1.8=79, 6714=67...(20) H GLU 48 + HG2 GLU 48 OK 77 77 100 100 1.9-3.6 6794/1.8=74, 6792/3.0=69...(17) HE22 GLN 50 - HG2 GLU 48 far 3 68 5 - 4.4-11.9 H GLU 48 - HG3 GLU 44 far 0 97 0 - 5.4-8.8 H LYS 40 - HG3 GLU 44 far 0 75 0 - 7.1-11.1 H GLU 44 - HG2 GLU 48 far 0 83 0 - 7.9-10.2 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 2.5-3.9 1996=100, 1995/1.8=79...(18) HA TYR 41 + HG3 GLU 44 OK 50 99 55 92 3.3-6.4 1880/3.0=49, 2018/1.8=32...(13) HA GLU 44 - HG2 GLU 48 far 0 83 0 - 5.9-8.4 HB3 SER 9 - HG2 GLU 16 far 0 70 0 - 8.6-11.1 HA GLU 63 - HG3 GLU 69 far 0 72 0 - 9.0-10.8 HA TYR 41 - HG2 GLU 48 far 0 80 0 - 9.7-12.6 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 18 assignments used, quality = 1.00: HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.3-2.7 3.0=100 * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 48 poor 17 54 60 53 3.3-5.7 6782/4.9=15, 4.0/9029=14...(8) HB3 GLU 17 - HG2 GLU 16 far 0 72 0 - 4.0-7.1 HB2 LYS 47 - HG3 GLU 44 far 0 73 0 - 5.4-8.8 HB3 GLU 44 - HG2 GLU 48 far 0 83 0 - 5.6-9.1 HB2 GLN 50 - HG2 GLU 48 far 0 67 0 - 5.8-8.7 QE MET 74 - HG3 GLU 44 far 0 100 0 - 6.4-8.8 HB2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.5-9.7 HB2 ARG 46 - HG3 GLU 44 far 0 84 0 - 6.7-9.9 HB2 ARG 46 - HG2 GLU 48 far 0 63 0 - 7.3-9.0 QE MET 1 - HG2 GLU 48 far 0 66 0 - 8.3-11.2 HB2 GLU 35 - HG3 GLU 69 far 0 86 0 - 9.0-12.9 QE MET 74 - HG2 GLU 48 far 0 83 0 - 9.6-12.1 HG12 ILE 93 - HG2 GLU 16 far 0 39 0 - 9.7-13.5 QE MET 74 - HG3 GLU 69 far 0 87 0 - 9.8-11.1 HB3 MET 74 - HG3 GLU 44 far 0 61 0 - 10.0-12.6 HB3 MET 1 - HG2 GLU 48 far 0 83 0 - 10.0-13.7 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 18 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 48 poor 17 54 60 53 3.3-5.7 6782/4.9=15, 4.0/9029=14...(8) HB3 GLU 17 - HG2 GLU 16 far 0 72 0 - 4.0-7.1 HB2 LYS 47 - HG3 GLU 44 far 0 73 0 - 5.4-8.8 HB3 GLU 44 - HG2 GLU 48 far 0 83 0 - 5.6-9.1 HB2 GLN 50 - HG2 GLU 48 far 0 67 0 - 5.8-8.7 QE MET 74 - HG3 GLU 44 far 0 100 0 - 6.4-8.8 HB2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.5-9.7 HB2 ARG 46 - HG3 GLU 44 far 0 84 0 - 6.7-9.9 HB2 ARG 46 - HG2 GLU 48 far 0 63 0 - 7.3-9.0 QE MET 1 - HG2 GLU 48 far 0 66 0 - 8.3-11.2 HB2 GLU 35 - HG3 GLU 69 far 0 86 0 - 9.0-12.9 QE MET 74 - HG2 GLU 48 far 0 83 0 - 9.6-12.1 HG12 ILE 93 - HG2 GLU 16 far 0 39 0 - 9.7-13.5 QE MET 74 - HG3 GLU 69 far 0 87 0 - 9.8-11.1 HB3 MET 74 - HG3 GLU 44 far 0 61 0 - 10.0-12.6 HB3 MET 1 - HG2 GLU 48 far 0 83 0 - 10.0-13.7 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 12 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 HB3 GLU 69 + HG3 GLU 69 OK 71 86 100 83 2.3-2.9 3.0=52, 3.0/3092=23...(11) HB2 GLU 69 + HG3 GLU 69 OK 71 86 100 83 2.8-3.0 3.0=52, 3.0/3092=23...(11) HB3 GLU 16 + HG2 GLU 16 OK 42 48 100 88 2.2-2.8 3.0=51, 1.8/700=22...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-7.4 HB2 PRO 86 - HG2 GLU 16 far 0 67 0 - 5.9-9.7 HB3 PRO 86 - HG2 GLU 16 far 0 49 0 - 6.1-9.7 HG2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.1-9.8 HB2 LEU 64 - HG3 GLU 69 far 0 73 0 - 8.5-10.1 HB3 GLU 37 - HG3 GLU 44 far 0 99 0 - 9.6-12.7 QE MET 21 - HG2 GLU 16 far 0 41 0 - 9.7-11.9 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): 1 out of 4 assignments used, quality = 1.00: * H PHE 45 + HG3 GLU 44 OK 100 100 100 100 2.1-5.3 3.6/1996=84, 6725/3.0=78...(12) H ALA 71 - HG3 GLU 69 far 9 87 10 - 5.9-7.4 H PHE 45 - HG2 GLU 48 far 8 83 10 - 6.0-8.5 H GLU 23 - HG2 GLU 16 far 0 66 0 - 9.8-11.8 Violated in 1 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 3.0-3.0 3.0=100 HB3 PHE 45 + HA PHE 45 OK 96 96 100 100 2.4-2.5 3.0=100 HE2 LYS 47 - HA PHE 45 far 5 99 5 - 3.3-7.8 HE3 LYS 47 - HA PHE 45 far 0 99 0 - 4.6-9.2 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 2.4-2.5 3.0=100 HB2 PHE 45 + HA PHE 45 OK 96 96 100 100 3.0-3.0 3.0=100 HE2 LYS 47 - HA PHE 45 far 5 100 5 - 3.3-7.8 HE3 LYS 47 - HA PHE 45 far 0 100 0 - 4.6-9.2 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 = 0.98: * QD PHE 45 + HA PHE 45 OK 98 100 100 98 1.9-2.2 3.7=75, 6731/3.0=44...(14) 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 4.3-4.5 2.2/2035=100, 9001=98...(11) 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 3.3-3.5 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 2.5-3.5 8928/2.5=95, 6719/3.7=79...(15) HA LEU 42 + HB3 PHE 45 OK 90 90 100 100 4.0-5.0 8928/2.5=95, 6719/3.7=79...(14) 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 2.5-2.7 3.7=100 H PHE 45 + HB3 PHE 45 OK 90 90 100 100 3.6-3.7 3.7=100 H ALA 71 - HB2 PHE 45 far 0 100 0 - 8.9-10.5 H ALA 71 - HB3 PHE 45 far 0 90 0 - 9.9-11.9 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 3.0-3.0 3.0=100 HA PHE 45 + HB3 PHE 45 OK 90 90 100 100 2.4-2.5 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 2.3-2.4 2.5=100 QD PHE 45 + HB3 PHE 45 OK 90 90 100 100 2.7-2.8 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 4.4-4.4 4.4=100 QE PHE 45 + HB3 PHE 45 OK 90 90 100 100 4.5-4.5 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 2.7-3.5 4.5=100 H ARG 46 + HB3 PHE 45 OK 90 90 100 100 3.8-4.3 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 4.0-5.0 8928/2.5=94, 6719/3.7=78...(14) HA LEU 42 + HB2 PHE 45 OK 90 90 100 100 2.5-3.5 8928/2.5=94, 6719/3.7=78...(15) 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 3.6-3.7 3.7=100 H PHE 45 + HB2 PHE 45 OK 90 90 100 100 2.5-2.7 3.7=100 H ALA 71 - HB2 PHE 45 far 0 90 0 - 8.9-10.5 H ALA 71 - HB3 PHE 45 far 0 100 0 - 9.9-11.9 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 2.4-2.5 3.0=100 HA PHE 45 + HB2 PHE 45 OK 90 90 100 100 3.0-3.0 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 2.7-2.8 2.5=100 QD PHE 45 + HB2 PHE 45 OK 90 90 100 100 2.3-2.4 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 4.5-4.5 4.4=100 QE PHE 45 + HB2 PHE 45 OK 90 90 100 100 4.4-4.4 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 3.8-4.3 4.5=100 H ARG 46 + HB2 PHE 45 OK 90 90 100 100 2.7-3.5 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 2.8-2.9 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 14 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=28...(22) HB3 ARG 46 + HA ARG 46 OK 95 96 100 99 2.3-3.0 3.0=85, 3.0/2096=28...(22) HB3 LYS 24 + HA LYS 24 OK 60 60 100 99 2.3-3.0 3.0=84, 2.9/1096=27...(28) HB2 LYS 24 + HA LYS 24 OK 60 60 100 99 2.3-3.0 3.0=84, 2.9/1096=27...(28) HB2 GLU 35 - HA LYS 66 far 0 55 0 - 5.1-9.6 QE MET 74 - HA ARG 46 far 0 82 0 - 5.5-7.4 HB3 MET 74 - HA ARG 46 far 0 98 0 - 6.0-7.8 HB2 LYS 47 - HA ARG 46 far 0 100 0 - 6.5-6.6 HB2 LYS 73 - HA LYS 66 far 0 78 0 - 7.3-8.7 HB2 GLU 44 - HA ARG 46 far 0 84 0 - 7.5-8.3 HB3 GLU 44 - HA ARG 46 far 0 84 0 - 7.6-8.7 HB3 LYS 73 - HA LYS 66 far 0 77 0 - 8.7-10.0 QE MET 74 - HA LYS 66 far 0 65 0 - 8.7-10.1 QE MET 1 - HA ARG 46 far 0 100 0 - 9.6-12.0 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 13 assignments used, quality = 1.00: * HB3 ARG 46 + HA ARG 46 OK 98 100 100 98 2.3-3.0 3.0=82, 3.0/2096=28...(21) HB2 ARG 46 + HA ARG 46 OK 95 96 100 98 2.2-3.0 3.0=82, 3.0/2096=28...(21) HB3 LYS 24 + HA LYS 24 OK 63 64 100 99 2.3-3.0 3.0=81, 2.9/1096=26...(28) HB2 LYS 24 + HA LYS 24 OK 63 64 100 99 2.3-3.0 3.0=81, 2.9/1096=26...(28) HB3 LYS 47 - HA ARG 46 far 0 68 0 - 5.5-5.9 HB3 MET 74 - HA ARG 46 far 0 100 0 - 6.0-7.8 HB2 LYS 47 - HA ARG 46 far 0 99 0 - 6.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 48 0 - 7.2-8.7 HB2 LYS 73 - HA LYS 66 far 0 87 0 - 7.3-8.7 HB2 LYS 94 - HA LYS 24 far 0 34 0 - 7.9-9.7 HB3 LYS 73 - HA LYS 66 far 0 86 0 - 8.7-10.0 QE MET 1 - HA ARG 46 far 0 95 0 - 9.6-12.0 HB3 ARG 19 - HA LYS 24 far 0 42 0 - 9.9-11.8 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 8 assignments used, quality = 1.00: * HG2 ARG 46 + HA ARG 46 OK 100 100 100 100 2.3-3.8 4.1=52, 1.8/2096=49...(30) HG3 ARG 46 + HA ARG 46 OK 61 61 100 99 2.2-3.8 4.1=52, 3.0/2105=34...(28) HB3 LYS 66 + HA LYS 66 OK 50 50 100 100 2.9-3.0 3.0=100 HB2 LYS 68 - HA LYS 66 far 0 82 0 - 5.4-7.3 HB2 LEU 42 - HA ARG 46 far 0 94 0 - 7.0-8.3 HB2 LYS 39 - HA LYS 66 far 0 65 0 - 8.2-10.8 HB ILE 93 - HA LYS 24 far 0 52 0 - 8.7-10.1 HB3 LYS 39 - HA LYS 66 far 0 49 0 - 9.0-11.6 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 100 100 100 100 2.2-3.8 2096=52, 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 2.3-3.8 4.1=50, 1.8/2096=48...(29) HB2 LEU 42 - HA ARG 46 far 0 92 0 - 7.0-8.3 HB3 GLU 63 - HA LYS 66 far 0 84 0 - 7.8-8.4 HB2 LYS 39 - HA LYS 66 far 0 83 0 - 8.2-10.8 HB VAL 78 - HA ARG 46 far 0 100 0 - 8.4-10.8 HB ILE 93 - HA LYS 24 far 0 57 0 - 8.7-10.1 HB ILE 56 - HA LYS 66 far 0 69 0 - 9.2-9.9 HG3 ARG 19 - HA LYS 24 far 0 46 0 - 9.6-13.0 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 2.3-4.6 2105=100, 1.8/2114=82...(27) Violated in 1 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 3.9-4.7 2114=100, 1.8/2105=94...(26) HB2 ASP 77 - HA ARG 46 far 0 96 0 - 6.4-9.4 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 5 assignments used, quality = 1.00: * H LYS 47 + HA ARG 46 OK 100 100 100 100 3.3-3.5 3.6=100 HE ARG 46 + HA ARG 46 OK 65 100 65 99 2.6-6.3 2.9/2105=57, 2.9/2114=54...(16) HD22 ASN 26 - HA LYS 24 far 0 64 0 - 5.3-7.9 H ILE 52 - HA ARG 46 far 0 90 0 - 6.8-8.4 HE22 GLN 72 - HA LYS 66 far 0 59 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (3.88, 1.97, 29.74 ppm; 3.90 A): 3 out of 8 assignments used, quality = 0.99: * HA GLU 43 + HB2 ARG 46 OK 93 100 95 97 2.1-4.9 10171/3.6=43...(10) HA GLU 43 + HB3 ARG 46 OK 90 92 100 97 2.3-4.7 10171/3.6=43, 1960=43...(10) HB3 SER 49 + HB2 ARG 46 OK 22 84 30 87 4.0-6.9 10174/3.0=60, ~9062=16...(11) HB3 SER 49 - HB3 ARG 46 poor 18 72 25 - 4.5-6.1 HA ALA 71 - HB3 ARG 46 far 0 53 0 - 7.4-10.7 HA ALA 71 - HB2 ARG 46 far 0 63 0 - 7.7-11.1 HA LYS 40 - HB2 ARG 46 far 0 94 0 - 8.0-10.8 HA LYS 40 - HB3 ARG 46 far 0 82 0 - 8.3-10.6 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...(23) 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 2.3-3.0 3.0=100 HB2 SER 49 - HB2 ARG 46 far 0 96 0 - 4.7-7.5 HB2 SER 49 - HB3 ARG 46 far 0 84 0 - 5.3-7.5 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 8 assignments used, quality = 1.00: * HG2 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=99, 1.8/2098=32...(28) HG2 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.2-3.0 3.0=99, 1.8/2098=33...(28) HG3 ARG 46 + HB2 ARG 46 OK 61 61 100 100 2.2-3.0 3.0=99, 3.0/2116=19...(27) HG3 ARG 46 + HB3 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=99, 3.0/2116=20...(27) HB2 LEU 42 - HB3 ARG 46 far 0 82 0 - 5.6-8.3 HB2 LEU 42 - HB2 ARG 46 far 0 94 0 - 5.7-8.6 HB3 LYS 39 - HB2 ARG 46 far 0 63 0 - 8.8-12.7 HB3 LYS 39 - HB3 ARG 46 far 0 53 0 - 9.1-11.8 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 8 assignments used, quality = 1.00: * HG3 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HG2 ARG 46 + HB3 ARG 46 OK 51 51 100 100 2.2-3.0 3.0=100 HB2 LEU 42 - HB3 ARG 46 far 0 80 0 - 5.6-8.3 HB2 LEU 42 - HB2 ARG 46 far 0 92 0 - 5.7-8.6 HB VAL 78 - HB3 ARG 46 far 0 91 0 - 8.9-12.6 HB VAL 78 - HB2 ARG 46 far 0 100 0 - 9.4-12.2 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 2.4-4.0 3.6=100 HD2 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.5-4.0 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 2.1-4.2 3.6=100 HD3 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.0-3.9 3.6=100 HB2 ASP 77 - HB2 ARG 46 far 0 96 0 - 7.2-12.0 HB2 ASP 77 - HB3 ARG 46 far 0 85 0 - 8.4-11.9 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 2.0-4.7 4.5=64, 2.9/2116=33...(17) * H LYS 47 + HB2 ARG 46 OK 96 100 100 96 3.0-4.4 4.7=60, 6755/4.0=53...(9) HE ARG 46 + HB3 ARG 46 OK 91 92 100 99 2.0-4.7 4.5=64, 2.9/2116=34...(18) H LYS 47 + HB3 ARG 46 OK 88 92 100 96 3.0-4.3 4.7=60, 6755/4.0=53...(10) H ILE 52 - HB2 ARG 46 far 0 90 0 - 9.0-11.1 H ILE 52 - HB3 ARG 46 far 0 78 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (3.88, 1.96, 29.74 ppm; 3.89 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 43 + HB3 ARG 46 OK 97 100 100 97 2.3-4.7 1960=45, 10171/3.6=43...(10) HA GLU 43 + HB2 ARG 46 OK 85 92 95 97 2.1-4.9 10171/3.6=43...(10) HB3 SER 49 - HB2 ARG 46 poor 19 72 30 86 4.0-6.9 10174/3.0=60, ~9062=16...(11) HB3 SER 49 - HB3 ARG 46 poor 18 84 25 86 4.5-6.1 10174/3.0=60...(11) HA ALA 71 - HB3 ARG 46 far 0 63 0 - 7.4-10.7 HA ALA 71 - HB2 ARG 46 far 0 53 0 - 7.7-11.1 HA LYS 40 - HB2 ARG 46 far 0 82 0 - 8.0-10.8 HA LYS 40 - HB3 ARG 46 far 0 94 0 - 8.3-10.6 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...(23) H ARG 46 + HB2 ARG 46 OK 91 92 100 99 2.1-3.6 4.0=54, 6750/1.8=41...(22) 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 2.3-3.0 3.0=100 HA ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.2-3.0 3.0=100 HB2 SER 49 - HB2 ARG 46 far 0 84 0 - 4.7-7.5 HB2 SER 49 - HB3 ARG 46 far 0 96 0 - 5.3-7.5 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 8 assignments used, quality = 1.00: * HG2 ARG 46 + HB3 ARG 46 OK 99 100 100 99 2.2-3.0 3.0=88, 1.8/2098=32...(28) HG2 ARG 46 + HB2 ARG 46 OK 91 92 100 99 2.2-3.0 3.0=88, 1.8/2098=31...(28) HG3 ARG 46 + HB3 ARG 46 OK 61 61 100 99 2.3-3.0 3.0=88, 3.0/2116=19...(27) HG3 ARG 46 + HB2 ARG 46 OK 50 51 100 99 2.2-3.0 3.0=88, 3.0/2116=18...(26) HB2 LEU 42 - HB3 ARG 46 far 0 94 0 - 5.6-8.3 HB2 LEU 42 - HB2 ARG 46 far 0 82 0 - 5.7-8.6 HB3 LYS 39 - HB2 ARG 46 far 0 53 0 - 8.8-12.7 HB3 LYS 39 - HB3 ARG 46 far 0 63 0 - 9.1-11.8 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 8 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=33...(28) HG3 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.2-3.0 3.0=94, 2098/1.8=34...(27) HG2 ARG 46 + HB3 ARG 46 OK 61 61 100 100 2.2-3.0 3.0=94, 1.8/2098=34...(28) HG2 ARG 46 + HB2 ARG 46 OK 51 51 100 100 2.2-3.0 3.0=94, 1.8/2098=33...(27) HB2 LEU 42 - HB3 ARG 46 far 0 92 0 - 5.6-8.3 HB2 LEU 42 - HB2 ARG 46 far 0 80 0 - 5.7-8.6 HB VAL 78 - HB3 ARG 46 far 0 100 0 - 8.9-12.6 HB VAL 78 - HB2 ARG 46 far 0 91 0 - 9.4-12.2 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 2.5-4.0 3.6=100 HD2 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.4-4.0 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 2.0-3.9 3.6=100 HD3 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.1-4.2 3.6=100 HB2 ASP 77 - HB2 ARG 46 far 0 85 0 - 7.2-12.0 HB2 ASP 77 - HB3 ARG 46 far 0 96 0 - 8.4-11.9 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: * H LYS 47 + HB3 ARG 46 OK 95 100 100 95 3.0-4.3 4.7=56, 6755/4.0=50...(10) HE ARG 46 + HB3 ARG 46 OK 94 100 95 99 2.0-4.7 4.5=60, 2.9/2116=34...(18) HE ARG 46 + HB2 ARG 46 OK 91 92 100 99 2.0-4.7 4.5=60, 2.9/2116=33...(17) H LYS 47 + HB2 ARG 46 OK 87 92 100 95 3.0-4.4 4.7=56, 6755/4.0=50...(9) H ILE 52 - HB2 ARG 46 far 0 78 0 - 9.0-11.1 H ILE 52 - HB3 ARG 46 far 0 90 0 - 9.0-10.8 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 2.3-4.5 4.9=69, 6752/1.8=51...(24) Violated in 5 structures by 0.03 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 2.3-3.8 4.1=100 HB2 SER 49 - HG2 ARG 46 poor 19 96 20 - 4.6-8.2 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 9 assignments used, quality = 1.00: * HB2 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 46 + HG2 ARG 46 OK 96 96 100 100 2.2-3.0 3.0=100 QE MET 74 + HG2 ARG 46 OK 24 82 45 66 3.0-7.1 9608/3.0=25, 9607/3.0=20...(10) HB3 MET 74 - HG2 ARG 46 far 0 98 0 - 4.1-7.3 HB2 LYS 47 - HG2 ARG 46 far 0 100 0 - 6.3-8.4 HB2 GLU 44 - HG2 ARG 46 far 0 84 0 - 6.5-9.7 HB3 GLU 44 - HG2 ARG 46 far 0 84 0 - 7.1-10.0 HB3 LYS 73 - HG2 ARG 46 far 0 94 0 - 9.2-12.1 HB2 LYS 73 - HG2 ARG 46 far 0 95 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2089 from cnoeabs.peaks (1.96, 1.82, 26.76 ppm; 3.01 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 46 + HG2 ARG 46 OK 96 96 100 100 2.2-3.0 3.0=100 HB3 MET 74 - HG2 ARG 46 far 0 100 0 - 4.1-7.3 HB3 LYS 47 - HG2 ARG 46 far 0 68 0 - 5.7-7.9 HB2 LYS 47 - HG2 ARG 46 far 0 99 0 - 6.3-8.4 HB3 LYS 73 - HG2 ARG 46 far 0 100 0 - 9.2-12.1 HB2 LYS 73 - HG2 ARG 46 far 0 100 0 - 9.6-12.0 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 2.3-3.0 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 2.4-3.0 3.0=100 HB2 ASP 77 - HG2 ARG 46 far 0 96 0 - 7.4-11.3 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 2.1-4.0 3.6=100 * H LYS 47 + HG2 ARG 46 OK 99 100 100 99 4.1-5.4 6755/2086=71, 6765=63...(9) H ILE 52 - HG2 ARG 46 far 0 90 0 - 8.6-12.1 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 2.1-4.1 3.0/2096=64, 4.9=60...(23) Violated in 0 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 2.2-3.8 4.1=97, 3.0/2095=57...(32) HB2 SER 49 - HG3 ARG 46 far 14 96 15 - 4.2-8.4 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 2.2-3.0 3.0=100 HB3 ARG 46 + HG3 ARG 46 OK 96 96 100 100 2.3-3.0 3.0=100 QE MET 74 + HG3 ARG 46 OK 26 82 45 70 2.7-6.5 9608/3.0=24, 9607/3.0=19...(12) HB3 MET 74 - HG3 ARG 46 far 5 98 5 - 3.8-7.6 HB2 LYS 47 - HG3 ARG 46 far 0 100 0 - 5.5-8.4 HB2 GLU 44 - HG3 ARG 46 far 0 84 0 - 6.6-9.2 HB3 GLU 44 - HG3 ARG 46 far 0 84 0 - 7.3-9.8 HB2 LYS 73 - HG3 ARG 46 far 0 95 0 - 9.2-12.4 HB3 LYS 73 - HG3 ARG 46 far 0 94 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 2098 from cnoeabs.peaks (1.96, 1.79, 26.76 ppm; 2.92 A): 2 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=30...(31) HB2 ARG 46 + HG3 ARG 46 OK 96 96 100 100 2.2-3.0 3.0=95, 3.0/2096=30...(30) HB3 MET 74 - HG3 ARG 46 far 0 100 0 - 3.8-7.6 HB3 LYS 47 - HG3 ARG 46 far 0 68 0 - 4.6-7.8 HB2 LYS 47 - HG3 ARG 46 far 0 99 0 - 5.5-8.4 HB2 LYS 73 - HG3 ARG 46 far 0 100 0 - 9.2-12.4 HB3 LYS 73 - HG3 ARG 46 far 0 100 0 - 9.3-12.2 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 2.2-3.0 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 2.3-3.0 3.0=100 HB2 ASP 77 - HG3 ARG 46 far 0 96 0 - 7.4-10.8 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 2.5-4.0 3.6=100 * H LYS 47 + HG3 ARG 46 OK 99 100 100 99 3.2-5.2 6755/2095=66...(8) H ILE 52 - HG3 ARG 46 far 0 90 0 - 8.6-11.2 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 3.8-5.3 6753=100, 2095/3.0=88...(19) 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 2.3-4.6 2063=82, 2114/1.8=74...(27) HB2 SER 49 - HD2 ARG 46 far 14 96 15 - 4.3-8.7 Violated in 14 structures by 0.11 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 2.4-4.0 3.6=87, 3.0/2105=40...(27) HB3 ARG 46 + HD2 ARG 46 OK 96 96 100 100 2.5-4.0 3.6=87, 3.0/2105=40...(27) HB3 MET 74 + HD2 ARG 46 OK 55 98 70 80 2.0-5.8 4.2/9608=31...(10) QE MET 74 + HD2 ARG 46 OK 48 82 70 83 3.1-6.0 9608=42, 9607/1.8=30...(12) HB3 LYS 73 - HD2 ARG 46 far 0 94 0 - 7.6-10.9 HB2 LYS 73 - HD2 ARG 46 far 0 95 0 - 7.7-11.2 HB2 GLU 44 - HD2 ARG 46 far 0 84 0 - 7.9-9.9 HB2 LYS 47 - HD2 ARG 46 far 0 100 0 - 8.4-10.0 HB3 GLU 44 - HD2 ARG 46 far 0 84 0 - 8.7-10.3 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 2.5-4.0 3.6=87, 3.0/2105=40...(27) HB2 ARG 46 + HD2 ARG 46 OK 96 96 100 100 2.4-4.0 3.6=87, 3.0/2105=40...(27) HB3 MET 74 + HD2 ARG 46 OK 58 100 70 82 2.0-5.8 4.2/9608=31...(11) HB3 LYS 47 - HD2 ARG 46 far 0 68 0 - 7.5-9.5 HB3 LYS 73 - HD2 ARG 46 far 0 100 0 - 7.6-10.9 HB2 LYS 73 - HD2 ARG 46 far 0 100 0 - 7.7-11.2 HB2 LYS 47 - HD2 ARG 46 far 0 99 0 - 8.4-10.0 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 2.3-3.0 3.0=100 HG3 ARG 46 + HD2 ARG 46 OK 61 61 100 100 2.2-3.0 3.0=100 HB2 LEU 42 - HD2 ARG 46 far 0 94 0 - 5.0-8.3 HB3 LYS 39 - HD2 ARG 46 far 0 63 0 - 7.4-10.9 HB2 LYS 39 - HD2 ARG 46 far 0 82 0 - 8.9-12.3 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 2.2-3.0 3.0=100 HG2 ARG 46 + HD2 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HD2 ARG 46 far 0 92 0 - 5.0-8.3 HB2 LYS 39 - HD2 ARG 46 far 0 99 0 - 8.9-12.3 HB VAL 78 - HD2 ARG 46 far 0 100 0 - 9.2-11.2 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 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 2112 from cnoeabs.peaks (7.47, 3.31, 43.64 ppm; 4.68 A): 1 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 far 5 100 5 - 5.5-6.9 H ILE 52 - HD2 ARG 46 far 0 90 0 - 8.9-12.0 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 3.3-5.0 2095/3.0=93, 2086/3.0=90...(18) 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 3.9-4.7 2105/1.8=82, 2096/3.0=72...(26) HB2 SER 49 - HD3 ARG 46 far 0 96 0 - 6.0-8.9 Violated in 11 structures by 0.07 A. Peak 2115 from cnoeabs.peaks (1.97, 3.19, 43.64 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.1-4.2 3.6=83, 3.0/2114=37...(26) HB3 ARG 46 + HD3 ARG 46 OK 96 96 100 100 2.0-3.9 3.6=83, 3.0/2114=37...(26) QE MET 74 + HD3 ARG 46 OK 50 82 75 80 2.8-5.3 9608/1.8=38, 9607=23...(10) HB3 MET 74 - HD3 ARG 46 poor 18 98 25 74 3.2-6.0 3.0/9013=30, 4.2/9607=21...(8) HB2 GLU 44 - HD3 ARG 46 far 0 84 0 - 7.2-9.3 HB3 LYS 73 - HD3 ARG 46 far 0 94 0 - 7.4-10.4 HB3 GLU 44 - HD3 ARG 46 far 0 84 0 - 7.7-9.7 HB2 LYS 73 - HD3 ARG 46 far 0 95 0 - 7.8-11.1 HB2 LYS 47 - HD3 ARG 46 far 0 100 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 2116 from cnoeabs.peaks (1.96, 3.19, 43.64 ppm; 3.36 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.0-3.9 3.6=78, 3.0/2114=35...(26) HB2 ARG 46 + HD3 ARG 46 OK 96 96 100 100 2.1-4.2 3.6=78, 3.0/2114=35...(26) HB3 MET 74 - HD3 ARG 46 poor 20 100 20 - 3.2-6.0 HB3 LYS 47 - HD3 ARG 46 far 0 68 0 - 6.7-9.2 HB3 LYS 73 - HD3 ARG 46 far 0 100 0 - 7.4-10.4 HB2 LYS 73 - HD3 ARG 46 far 0 100 0 - 7.8-11.1 HB2 LYS 47 - HD3 ARG 46 far 0 99 0 - 7.9-10.0 Violated in 2 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 2.4-3.0 3.0=100 HG3 ARG 46 + HD3 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HD3 ARG 46 far 0 94 0 - 5.2-7.7 HB3 LYS 39 - HD3 ARG 46 far 0 63 0 - 6.9-10.7 HB2 LYS 39 - HD3 ARG 46 far 0 82 0 - 8.5-11.5 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 2.3-3.0 3.0=100 HG2 ARG 46 + HD3 ARG 46 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 LEU 42 - HD3 ARG 46 far 0 92 0 - 5.2-7.7 HB2 LYS 39 - HD3 ARG 46 far 0 99 0 - 8.5-11.5 HB VAL 78 - HD3 ARG 46 far 0 100 0 - 9.6-12.7 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): 1 out of 2 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 far 5 100 5 - 5.0-6.8 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 2.8-2.9 2.9=100 HE ARG 46 - HA LYS 47 far 0 100 0 - 5.6-8.1 HE22 GLN 72 - HA LYS 73 far 0 36 0 - 6.2-8.7 HE ARG 46 - HA LYS 73 far 0 57 0 - 8.5-11.4 H ILE 52 - HA LYS 47 far 0 90 0 - 8.6-10.5 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): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 47 + HA LYS 47 OK 99 100 100 99 2.4-2.6 3.0=85, 2134/2.9=36...(30) HB2 LYS 73 + HA LYS 73 OK 54 54 100 99 2.5-3.0 3.0=89, 7205/3.0=23...(26) HB3 LYS 73 + HA LYS 73 OK 53 54 100 99 2.3-2.7 3.0=89, 7205/3.0=22...(27) HB3 ARG 46 - HA LYS 47 far 0 99 0 - 3.9-5.7 HB2 ARG 46 - HA LYS 47 far 0 100 0 - 4.0-5.6 HB3 MET 74 - HA LYS 73 far 0 57 0 - 5.7-6.6 QE MET 74 - HA LYS 73 far 0 34 0 - 6.6-7.5 HB3 GLU 44 - HA LYS 47 far 0 73 0 - 6.6-8.8 HB2 GLU 44 - HA LYS 47 far 0 73 0 - 7.5-8.9 QE MET 74 - HA LYS 47 far 0 71 0 - 8.3-9.9 HB3 MET 74 - HA LYS 47 far 0 100 0 - 9.9-11.9 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 8 assignments used, quality = 1.00: * HB3 LYS 47 + HA LYS 47 OK 100 100 100 100 2.4-3.0 3.0=93, 2146/2.9=38...(32) HB3 LYS 73 + HA LYS 73 OK 35 35 100 100 2.3-2.7 3.0=98, 7206/3.0=18...(26) HB2 LYS 73 + HA LYS 73 OK 34 34 100 100 2.5-3.0 3.0=98, 7206/3.0=18...(25) HB3 ARG 46 - HA LYS 47 far 0 68 0 - 3.9-5.7 HB3 MET 74 - HA LYS 73 far 0 28 0 - 5.7-6.6 HB2 GLU 43 - HA LYS 47 far 0 94 0 - 6.8-8.4 HB3 MET 74 - HA LYS 47 far 0 61 0 - 9.9-11.9 HG LEU 42 - HA LYS 73 far 0 40 0 - 9.9-11.8 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 4 assignments used, quality = 1.00: * HG2 LYS 47 + HA LYS 47 OK 100 100 100 100 2.6-4.0 3.9=58, 6772/2.9=43...(61) HG2 LYS 73 + HA LYS 73 OK 54 57 95 99 2.4-4.2 4.1=51, 7207/3.0=41...(44) HG13 ILE 52 - HA LYS 47 far 0 70 0 - 8.8-9.6 HG LEU 2 - HA LYS 47 far 0 87 0 - 8.8-11.0 Violated in 9 structures by 0.04 A. Peak 2127 from cnoeabs.peaks (1.62, 4.14, 57.73 ppm; 3.59 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 47 + HA LYS 47 OK 100 100 100 100 2.6-3.8 3.9=78, 6773/2.9=60...(68) HG3 LYS 73 + HA LYS 73 OK 44 44 100 100 2.3-3.9 4.1=68, 7208/3.0=50...(52) HD2 LYS 39 - HA LYS 73 far 0 35 0 - 6.9-10.5 HB ILE 76 - HA LYS 73 far 0 46 0 - 7.7-8.5 HD3 LYS 39 - HA LYS 73 far 0 49 0 - 8.2-10.2 HD2 LYS 68 - HA LYS 73 far 0 37 0 - 8.9-12.0 HB ILE 76 - HA LYS 47 far 0 90 0 - 9.8-11.2 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 = 0.90: * HD2 LYS 47 + HA LYS 47 OK 55 100 55 100 2.1-5.5 3.0/2126=43, 5.1=40...(101) HD2 LYS 73 + HA LYS 73 OK 42 53 80 100 2.0-4.8 5.1=40, 7210/3.0=29...(74) HD3 LYS 73 + HA LYS 73 OK 39 52 75 100 2.1-5.5 5.1=40, 3.0/3272=28...(78) HD3 LYS 47 + HA LYS 47 OK 35 100 35 100 3.6-5.5 3.0/2126=43, 5.1=40...(102) HD2 LYS 39 - HA LYS 73 far 0 42 0 - 6.9-10.5 HB3 LEU 70 - HA LYS 73 far 0 32 0 - 7.1-8.4 HB ILE 52 - HA LYS 47 far 0 99 0 - 7.2-8.8 HG LEU 70 - HA LYS 73 far 0 49 0 - 7.6-9.2 HB ILE 76 - HA LYS 73 far 0 31 0 - 7.7-8.5 HD3 LYS 39 - HA LYS 73 far 0 27 0 - 8.2-10.2 HD2 LYS 68 - HA LYS 73 far 0 40 0 - 8.9-12.0 HD3 LYS 66 - HA LYS 73 far 0 47 0 - 9.7-14.2 HB ILE 76 - HA LYS 47 far 0 65 0 - 9.8-11.2 Violated in 1 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 = 0.89: HD2 LYS 47 + HA LYS 47 OK 55 100 55 100 2.1-5.5 3.0/2126=43, 5.1=40...(101) HD2 LYS 73 + HA LYS 73 OK 42 52 80 100 2.0-4.8 5.1=40, 7210/3.0=29...(74) HD3 LYS 73 + HA LYS 73 OK 38 51 75 100 2.1-5.5 5.1=40, 3.0/3272=28...(78) * HD3 LYS 47 + HA LYS 47 OK 35 100 35 100 3.6-5.5 3.0/2126=43, 5.1=40...(102) HD2 LYS 39 - HA LYS 73 far 0 41 0 - 6.9-10.5 HB3 LEU 70 - HA LYS 73 far 0 33 0 - 7.1-8.4 HB ILE 52 - HA LYS 47 far 0 99 0 - 7.2-8.8 HG LEU 70 - HA LYS 73 far 0 50 0 - 7.6-9.2 HB ILE 76 - HA LYS 73 far 0 30 0 - 7.7-8.5 HD2 LYS 68 - HA LYS 73 far 0 39 0 - 8.9-12.0 HD3 LYS 66 - HA LYS 73 far 0 48 0 - 9.7-14.2 HB ILE 76 - HA LYS 47 far 0 63 0 - 9.8-11.2 Violated in 1 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 = 0.98: * HE2 LYS 47 + HA LYS 47 OK 80 100 80 100 2.3-6.5 3.8/2127=55, 3.8/2126=54...(83) HE3 LYS 47 + HA LYS 47 OK 80 100 80 100 3.1-6.4 3.8/2127=55, 3.8/2126=54...(83) HE2 LYS 73 + HA LYS 73 OK 38 45 85 100 4.2-6.1 6.7=42, 4.0/3272=36...(67) HE3 LYS 73 + HA LYS 73 OK 36 40 90 100 3.7-6.4 6.7=42, 4.0/3272=36...(66) HB2 PHE 45 - HA LYS 47 far 0 99 0 - 7.4-7.9 HB3 PHE 45 - HA LYS 47 far 0 100 0 - 7.5-8.0 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 = 0.98: HE2 LYS 47 + HA LYS 47 OK 80 100 80 100 2.3-6.5 3.8/2127=55, 3.8/2126=54...(83) * HE3 LYS 47 + HA LYS 47 OK 80 100 80 100 3.1-6.4 3.8/2127=55, 3.8/2126=54...(83) HE2 LYS 73 + HA LYS 73 OK 38 45 85 100 4.2-6.1 6.7=42, 4.0/3272=36...(67) HE3 LYS 73 + HA LYS 73 OK 36 40 90 100 3.7-6.4 6.7=42, 4.0/3272=36...(66) HB2 PHE 45 - HA LYS 47 far 0 99 0 - 7.4-7.9 HB3 PHE 45 - HA LYS 47 far 0 100 0 - 7.5-8.0 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 3.5-3.6 3.6=100 HE22 GLN 50 - HA LYS 47 far 0 99 0 - 5.6-11.6 H GLU 44 - HA LYS 47 far 0 97 0 - 7.5-8.3 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 4 assignments used, quality = 0.40: * HA GLU 44 + HB2 LYS 47 OK 40 100 40 100 4.9-6.0 2145/1.8=80...(14) HB2 SER 97 - HB3 LYS 24 far 0 65 0 - 6.9-9.4 HB2 SER 97 - HB2 LYS 24 far 0 65 0 - 7.0-9.9 HB2 SER 97 - HB2 MET 1 far 0 50 0 - 8.8-11.9 Violated in 20 structures by 0.96 A. Peak 2134 from cnoeabs.peaks (7.47, 1.97, 32.41 ppm; 3.49 A): 1 out of 14 assignments used, quality = 1.00: * H LYS 47 + HB2 LYS 47 OK 100 100 100 100 3.6-3.6 2146/1.8=70, 4.0=64...(24) HE22 GLN 72 - HB2 LYS 73 far 0 64 0 - 6.2-9.0 HD22 ASN 26 - HB3 LYS 24 far 0 69 0 - 7.3-9.6 HD22 ASN 26 - HB2 LYS 24 far 0 69 0 - 7.4-9.9 HE22 GLN 72 - HB3 LYS 73 far 0 63 0 - 7.5-10.0 H ILE 52 - HB2 MET 1 far 0 43 0 - 7.6-9.3 HE ARG 46 - HB2 LYS 47 far 0 100 0 - 7.9-10.3 HE ARG 46 - HB3 LYS 73 far 0 91 0 - 8.3-11.1 HE ARG 46 - HB2 LYS 73 far 0 92 0 - 8.8-12.0 H ILE 52 - HB2 LYS 47 far 0 90 0 - 9.1-11.2 HD22 ASN 26 - HB2 MET 1 far 0 54 0 - 9.3-13.9 HE ARG 19 - HB3 LYS 24 far 0 58 0 - 9.6-15.0 HE ARG 19 - HB2 LYS 24 far 0 58 0 - 9.9-15.1 H ARG 91 - HB3 LYS 24 far 0 69 0 - 10.0-12.2 Violated in 20 structures by 0.10 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 2.4-2.6 3.0=98, 2125/1.8=41...(34) HA LYS 73 + HB2 LYS 73 OK 69 69 100 100 2.5-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 68 68 100 100 2.3-2.7 3.0=100 HA MET 1 + HB2 MET 1 OK 49 50 100 99 2.4-3.0 3.0=99 HA GLN 72 - HB2 LYS 73 far 0 89 0 - 5.5-5.8 HA GLU 23 - HB2 LYS 24 far 0 69 0 - 5.6-6.6 HA GLU 23 - HB3 LYS 24 far 0 69 0 - 5.6-6.6 HA GLN 72 - HB3 LYS 73 far 0 88 0 - 6.4-6.6 HA GLU 99 - HB2 MET 1 far 0 45 0 - 8.1-12.4 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 24 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 HB2 LYS 20 - HB3 LYS 24 far 0 40 0 - 4.4-7.8 HB2 LYS 20 - HB2 LYS 24 far 0 40 0 - 4.6-8.7 HB3 MET 74 - HB2 LYS 73 far 0 51 0 - 4.8-6.5 HB2 LYS 94 - HB3 LYS 24 far 0 69 0 - 5.1-8.0 HB3 MET 74 - HB3 LYS 73 far 0 50 0 - 5.1-6.5 HB3 LYS 20 - HB3 LYS 24 far 0 67 0 - 5.2-8.3 HB2 LYS 94 - HB2 LYS 24 far 0 69 0 - 5.2-8.3 HB3 LYS 20 - HB2 LYS 24 far 0 67 0 - 5.3-8.4 HB3 ARG 46 - HB2 LYS 47 far 0 68 0 - 5.7-7.5 HG LEU 42 - HB2 LYS 73 far 0 69 0 - 7.6-11.1 HB2 GLU 43 - HB2 LYS 47 far 0 94 0 - 7.8-9.2 HG LEU 42 - HB3 LYS 73 far 0 68 0 - 8.3-11.7 HB2 ARG 19 - HB3 LYS 24 far 0 44 0 - 8.4-12.6 HB3 ARG 19 - HB3 LYS 24 far 0 69 0 - 8.5-12.4 HB2 ARG 19 - HB2 LYS 24 far 0 44 0 - 9.0-12.2 HB3 ARG 19 - HB2 LYS 24 far 0 69 0 - 9.0-12.4 HB2 GLU 17 - HB3 LYS 24 far 0 61 0 - 9.1-12.0 HB3 ARG 46 - HB2 LYS 73 far 0 57 0 - 9.7-13.6 HB3 ARG 46 - HB3 LYS 73 far 0 56 0 - 10.0-13.0 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 23 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 2.2-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 91 91 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HB2 LYS 24 OK 61 61 100 100 2.4-3.0 2.9=100 HG2 LYS 20 - HB2 LYS 24 far 0 41 0 - 5.7-9.8 HG3 LYS 53 - HB2 MET 1 far 0 42 0 - 5.7-9.6 HG2 LYS 20 - HB3 LYS 24 far 0 41 0 - 5.9-10.0 HD2 LYS 53 - HB2 MET 1 far 0 33 0 - 5.9-10.1 HG LEU 2 - HB2 MET 1 far 0 41 0 - 6.8-7.7 HG2 LYS 53 - HB2 MET 1 far 0 37 0 - 7.2-8.7 HB2 LEU 27 - HB3 LYS 24 far 0 41 0 - 7.2-9.7 HB2 LEU 27 - HB2 LYS 24 far 0 41 0 - 7.4-9.2 HG LEU 2 - HB2 LYS 47 far 0 87 0 - 7.8-10.7 HG LEU 38 - HB2 LYS 73 far 0 62 0 - 7.9-12.5 HG13 ILE 52 - HB2 MET 1 far 0 31 0 - 8.1-10.2 HB2 LEU 38 - HB2 LYS 73 far 0 55 0 - 8.2-12.2 HG13 ILE 52 - HB2 LYS 47 far 0 70 0 - 8.7-9.8 HG2 LYS 66 - HB2 LYS 73 far 0 92 0 - 8.7-11.5 HG LEU 38 - HB3 LYS 73 far 0 61 0 - 9.2-13.5 HB2 LEU 38 - HB3 LYS 73 far 0 54 0 - 9.3-13.1 HG3 LYS 66 - HB2 LYS 73 far 0 92 0 - 9.4-11.7 HG2 LYS 66 - HB3 LYS 73 far 0 91 0 - 9.9-12.7 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 + HB2 LYS 24 OK 38 38 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 38 38 100 100 2.3-2.8 2.9=100 HD2 LYS 39 - HB3 LYS 73 far 0 61 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 62 0 - 4.5-8.8 HD3 LYS 94 - HB2 LYS 24 far 0 54 0 - 5.5-10.6 HD3 LYS 39 - HB3 LYS 73 far 0 80 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 82 0 - 5.8-9.0 HD3 LYS 94 - HB3 LYS 24 far 0 54 0 - 6.4-9.9 HD2 LYS 94 - HB2 LYS 24 far 0 69 0 - 6.4-9.9 HD2 LYS 94 - HB3 LYS 24 far 0 69 0 - 6.4-9.9 HG LEU 27 - HB2 LYS 24 far 0 54 0 - 6.9-8.9 HG3 LYS 90 - HB3 LYS 24 far 0 36 0 - 7.1-11.7 HG LEU 27 - HB3 LYS 24 far 0 54 0 - 7.2-8.6 HB ILE 76 - HB2 LYS 73 far 0 78 0 - 7.5-9.1 HG2 ARG 19 - HB2 LYS 24 far 0 37 0 - 7.8-12.9 HG3 LYS 90 - HB2 LYS 24 far 0 36 0 - 8.0-12.0 HB ILE 76 - HB3 LYS 73 far 0 77 0 - 8.2-9.5 HD2 LYS 66 - HB2 LYS 73 far 0 79 0 - 8.3-12.5 HG LEU 27 - HB2 MET 1 far 0 41 0 - 8.4-11.4 HD2 LYS 68 - HB2 LYS 73 far 0 66 0 - 8.4-11.3 HG2 LYS 68 - HB2 LYS 73 far 0 80 0 - 8.7-10.9 HB3 LEU 29 - HB3 LYS 24 far 0 52 0 - 9.0-11.8 HD2 LYS 66 - HB3 LYS 73 far 0 78 0 - 9.2-13.8 HG2 ARG 19 - HB3 LYS 24 far 0 37 0 - 9.3-13.0 HB3 LEU 29 - HB2 LYS 24 far 0 52 0 - 9.8-12.0 HD3 LYS 68 - HB2 LYS 73 far 0 67 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (1.68, 1.97, 32.41 ppm; 2.95 A): 10 out of 38 assignments used, quality = 1.00: * HD2 LYS 47 + HB2 LYS 47 OK 99 100 100 99 2.2-3.8 3.9=42, 6774/2134=15...(129) HD3 LYS 47 + HB2 LYS 47 OK 94 100 95 99 3.1-4.0 3.9=42, 6775/2134=14...(135) HD2 LYS 73 + HB3 LYS 73 OK 86 86 100 99 2.1-3.5 3.6=56, 3298/2.9=19...(130) HD3 LYS 73 + HB3 LYS 73 OK 84 84 100 100 2.0-3.8 3.6=56, 3298/2.9=19...(138) HD2 LYS 73 + HB2 LYS 73 OK 74 87 85 100 2.3-4.2 3.6=56, 3298/2.9=19...(134) HD3 LYS 73 + HB2 LYS 73 OK 68 86 80 100 2.8-4.2 3.6=56, 3298/2.9=19...(142) HD2 LYS 24 + HB2 LYS 24 OK 63 63 100 99 2.5-3.8 3.6=57, 1107/3.0=17...(122) HD2 LYS 24 + HB3 LYS 24 OK 60 63 95 99 2.5-3.9 3.6=57, 1107/3.0=17...(124) HD3 LYS 24 + HB2 LYS 24 OK 46 62 75 99 2.4-4.2 3.6=57, 1118/3.0=18...(124) HD3 LYS 24 + HB3 LYS 24 OK 37 62 60 99 2.1-4.2 3.6=57, 1118/3.0=18...(124) HB3 LEU 70 - HB2 LYS 73 far 0 57 0 - 4.2-6.8 HD2 LYS 39 - HB3 LYS 73 far 0 71 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 72 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 83 0 - 4.8-6.3 HG3 LYS 20 - HB3 LYS 24 far 0 69 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 56 0 - 5.2-8.0 HB2 LEU 2 - HB2 MET 1 far 0 44 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 49 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 50 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 82 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 69 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 69 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 69 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 69 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 69 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 55 0 - 7.5-9.1 HB ILE 52 - HB2 LYS 47 far 0 99 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 62 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 79 0 - 7.7-11.8 HB ILE 52 - HB2 MET 1 far 0 52 0 - 8.0-10.2 HB ILE 76 - HB3 LYS 73 far 0 54 0 - 8.2-9.5 HD2 LYS 68 - HB2 LYS 73 far 0 69 0 - 8.4-11.3 HG2 LYS 68 - HB2 LYS 73 far 0 51 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 78 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 62 0 - 9.1-11.4 HB2 LEU 2 - HB2 LYS 47 far 0 91 0 - 9.9-11.7 HD3 LYS 68 - HB2 LYS 73 far 0 67 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2141 from cnoeabs.peaks (1.68, 1.97, 32.41 ppm; 2.95 A): 10 out of 36 assignments used, quality = 1.00: HD2 LYS 47 + HB2 LYS 47 OK 99 100 100 99 2.2-3.8 3.9=42, 6775/2134=15...(129) * HD3 LYS 47 + HB2 LYS 47 OK 94 100 95 99 3.1-4.0 3.9=42, 6775/2134=14...(135) HD2 LYS 73 + HB3 LYS 73 OK 85 85 100 99 2.1-3.5 3.6=56, 3298/2.9=19...(130) HD3 LYS 73 + HB3 LYS 73 OK 83 84 100 100 2.0-3.8 3.6=56, 3298/2.9=19...(138) HD2 LYS 73 + HB2 LYS 73 OK 73 87 85 100 2.3-4.2 3.6=56, 3298/2.9=19...(134) HD3 LYS 73 + HB2 LYS 73 OK 68 85 80 100 2.8-4.2 3.6=56, 3298/2.9=19...(142) HD2 LYS 24 + HB2 LYS 24 OK 64 64 100 99 2.5-3.8 3.6=57, 1107/3.0=17...(122) HD2 LYS 24 + HB3 LYS 24 OK 60 64 95 99 2.5-3.9 3.6=57, 1107/3.0=17...(124) HD3 LYS 24 + HB2 LYS 24 OK 47 63 75 99 2.4-4.2 3.6=57, 1118/3.0=18...(124) HD3 LYS 24 + HB3 LYS 24 OK 38 63 60 99 2.1-4.2 3.6=57, 1118/3.0=18...(124) HB3 LEU 70 - HB2 LYS 73 far 0 59 0 - 4.2-6.8 HD2 LYS 39 - HB3 LYS 73 far 0 69 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 71 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 84 0 - 4.8-6.3 HG3 LYS 20 - HB3 LYS 24 far 0 68 0 - 5.1-9.7 HB3 LEU 70 - HB3 LYS 73 far 0 58 0 - 5.2-8.0 HB2 LEU 2 - HB2 MET 1 far 0 45 0 - 5.7-7.5 HG LEU 70 - HB3 LYS 73 far 0 83 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 68 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 68 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 68 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 69 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 69 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 53 0 - 7.5-9.1 HB ILE 52 - HB2 LYS 47 far 0 99 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 63 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 80 0 - 7.7-11.8 HB ILE 52 - HB2 MET 1 far 0 51 0 - 8.0-10.2 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 8.2-9.5 HD2 LYS 68 - HB2 LYS 73 far 0 67 0 - 8.4-11.3 HG2 LYS 68 - HB2 LYS 73 far 0 50 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 79 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 63 0 - 9.1-11.4 HB2 LEU 2 - HB2 LYS 47 far 0 92 0 - 9.9-11.7 HD3 LYS 68 - HB2 LYS 73 far 0 66 0 - 9.9-12.1 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 17 assignments used, quality = 1.00: * HE2 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.0-4.6 4.9=57, 6.6/2134=22...(131) HE3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.0-4.4 4.9=57, 563/1.8=23...(131) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 2.5-4.8 4.9=57, ~3234=14...(122) HE2 LYS 73 + HB2 LYS 73 OK 73 77 95 100 3.4-5.1 4.9=57, ~3234=14...(132) HE3 LYS 73 + HB3 LYS 73 OK 68 68 100 100 2.1-4.6 4.9=57, ~3234=14...(127) HE2 LYS 24 + HB2 LYS 24 OK 62 65 95 100 2.1-5.0 4.9=55, 12306/3.0=31...(118) HE3 LYS 24 + HB2 LYS 24 OK 56 65 85 100 2.2-5.4 4.9=55, 12306/3.0=31...(118) HE3 LYS 24 + HB3 LYS 24 OK 56 65 85 100 2.3-5.4 4.9=55, 12306/3.0=31...(118) HE3 LYS 73 + HB2 LYS 73 OK 55 69 80 100 3.3-5.2 4.9=57, ~3234=14...(129) HE2 LYS 24 + HB3 LYS 24 OK 49 65 75 100 2.1-5.5 4.9=55, 12306/3.0=31...(118) HB2 ASN 51 + HB2 MET 1 OK 25 37 70 97 3.3-5.6 9131/3.0=38, ~8006=34...(16) HG2 MET 21 - HB3 LYS 24 far 2 41 5 - 4.9-8.1 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 5.2-8.1 HB3 PHE 45 - HB2 LYS 47 far 0 100 0 - 7.8-8.5 HB2 PHE 45 - HB2 LYS 47 far 0 99 0 - 8.0-8.7 HE3 LYS 90 - HB3 LYS 24 far 0 36 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 36 0 - 9.3-12.7 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 17 assignments used, quality = 1.00: HE2 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.0-4.6 4.9=57, 6.6/2134=22...(131) * HE3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.0-4.4 4.9=57, 563/1.8=23...(131) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 2.5-4.8 4.9=57, ~3234=14...(122) HE2 LYS 73 + HB2 LYS 73 OK 73 77 95 100 3.4-5.1 4.9=57, ~3234=14...(132) HE3 LYS 73 + HB3 LYS 73 OK 68 68 100 100 2.1-4.6 4.9=57, ~3234=14...(127) HE2 LYS 24 + HB2 LYS 24 OK 62 65 95 100 2.1-5.0 4.9=55, 12306/3.0=31...(118) HE3 LYS 24 + HB2 LYS 24 OK 56 65 85 100 2.2-5.4 4.9=55, 12306/3.0=31...(118) HE3 LYS 24 + HB3 LYS 24 OK 56 65 85 100 2.3-5.4 4.9=55, 12306/3.0=31...(118) HE3 LYS 73 + HB2 LYS 73 OK 55 69 80 100 3.3-5.2 4.9=57, ~3234=14...(129) HE2 LYS 24 + HB3 LYS 24 OK 49 65 75 100 2.1-5.5 4.9=55, 12306/3.0=31...(118) HB2 ASN 51 + HB2 MET 1 OK 25 37 70 97 3.3-5.6 9131/3.0=38, ~8006=34...(16) HG2 MET 21 - HB3 LYS 24 far 2 41 5 - 4.9-8.1 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 5.2-8.1 HB3 PHE 45 - HB2 LYS 47 far 0 100 0 - 7.8-8.5 HB2 PHE 45 - HB2 LYS 47 far 0 99 0 - 8.0-8.7 HE3 LYS 90 - HB3 LYS 24 far 0 36 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 36 0 - 9.3-12.7 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 4 assignments used, quality = 1.00: * H GLU 48 + HB2 LYS 47 OK 100 100 100 100 3.3-3.8 6782=100, 6783/1.8=73...(14) HE22 GLN 50 - HB2 LYS 47 far 0 99 0 - 6.0-12.1 H GLU 44 - HB2 LYS 47 far 0 97 0 - 7.5-8.5 HE22 GLN 50 - HB2 MET 1 far 0 53 0 - 8.8-12.8 Violated in 17 structures by 0.06 A. Peak 2145 from cnoeabs.peaks (3.94, 1.92, 32.41 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 44 + HB3 LYS 47 OK 100 100 100 100 3.6-4.9 2133/1.8=77...(15) HB2 SER 97 - HB2 LYS 94 far 0 89 0 - 5.7-7.5 HA ALA 89 - HB2 LYS 94 far 0 56 0 - 7.8-10.8 HA TYR 41 - HB3 LYS 47 far 0 99 0 - 8.7-10.1 HB2 SER 97 - HB2 MET 1 far 0 71 0 - 8.8-11.9 HA ALA 89 - HB3 LYS 20 far 0 51 0 - 9.6-12.9 Violated in 3 structures by 0.03 A. Peak 2146 from cnoeabs.peaks (7.47, 1.92, 32.41 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.3-2.7 6771=76, 2134/1.8=74...(25) H ARG 91 - HB2 LYS 94 far 0 93 0 - 4.8-8.0 HE ARG 19 - HB3 LYS 20 far 0 76 0 - 5.2-9.4 HE ARG 46 - HB3 LYS 47 far 0 100 0 - 7.0-10.1 H ILE 52 - HB2 MET 1 far 0 62 0 - 7.6-9.3 H ILE 52 - HB3 LYS 47 far 0 90 0 - 8.3-11.2 H ARG 91 - HB3 LYS 20 far 0 87 0 - 8.6-12.4 HD22 ASN 26 - HB2 MET 1 far 0 76 0 - 9.3-13.9 HD22 ASN 26 - HB2 LYS 94 far 0 93 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 2147 from cnoeabs.peaks (4.14, 1.92, 32.41 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 1 + HB2 MET 1 OK 70 70 100 100 2.4-3.0 3.0=100 HA GLU 23 - HB3 LYS 20 far 0 87 0 - 7.6-8.1 HA GLU 99 - HB2 MET 1 far 0 65 0 - 8.1-12.4 HA LYS 13 - HB3 LYS 20 far 0 84 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 2148 from cnoeabs.peaks (1.97, 1.92, 32.41 ppm; 2.40 A): 2 out of 18 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 far 4 74 5 - 2.9-4.3 HB3 ARG 19 - HB3 LYS 20 far 0 46 0 - 4.3-6.7 HB3 GLU 44 - HB3 LYS 47 far 0 73 0 - 4.4-6.9 HB2 ARG 46 - HB3 LYS 47 far 0 100 0 - 4.5-6.8 HB3 ARG 46 - HB3 LYS 47 far 0 99 0 - 4.7-6.5 HB2 GLU 17 - HB3 LYS 20 far 0 66 0 - 4.7-7.2 HB3 LYS 24 - HB2 LYS 94 far 0 92 0 - 5.1-8.0 HB3 LYS 24 - HB3 LYS 20 far 0 87 0 - 5.2-8.3 HB2 LYS 24 - HB2 LYS 94 far 0 92 0 - 5.2-8.3 HB2 LYS 24 - HB3 LYS 20 far 0 87 0 - 5.3-8.4 HB2 GLU 44 - HB3 LYS 47 far 0 73 0 - 5.4-7.4 HB3 GLU 17 - HB3 LYS 20 far 0 48 0 - 5.4-7.7 HB2 GLU 17 - HB2 LYS 94 far 0 72 0 - 8.1-11.5 QE MET 74 - HB3 LYS 47 far 0 71 0 - 8.5-9.8 HB3 LYS 20 - HB2 LYS 94 far 0 60 0 - 8.5-11.8 HB3 GLU 17 - HB2 LYS 94 far 0 52 0 - 8.9-12.8 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 2.3-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 79 0 - 4.4-8.7 HB2 ARG 91 - HB2 LYS 94 far 0 93 0 - 4.9-8.1 HG3 ARG 91 - HB2 LYS 94 far 0 51 0 - 5.0-8.3 HG3 LYS 53 - HB2 MET 1 far 0 61 0 - 5.7-9.6 HD2 LYS 53 - HB2 MET 1 far 0 49 0 - 5.9-10.1 HG3 LYS 24 - HB2 LYS 94 far 0 85 0 - 6.3-9.8 HG LEU 2 - HB2 MET 1 far 0 60 0 - 6.8-7.7 HG LEU 2 - HB3 LYS 47 far 0 87 0 - 6.9-10.6 HG2 LYS 53 - HB2 MET 1 far 0 54 0 - 7.2-8.7 HG13 ILE 52 - HB3 LYS 47 far 0 70 0 - 7.3-9.8 HG13 ILE 52 - HB2 MET 1 far 0 46 0 - 8.1-10.2 HB2 LEU 27 - HB2 LYS 94 far 0 60 0 - 8.5-9.6 HG2 LYS 20 - HB2 LYS 94 far 0 60 0 - 8.6-12.8 HG LEU 57 - HB2 LYS 94 far 0 91 0 - 9.3-11.7 HB2 LEU 27 - HB3 LYS 20 far 0 55 0 - 9.7-10.8 HG3 LYS 13 - HB3 LYS 20 far 0 87 0 - 9.8-13.5 HB2 ARG 91 - HB3 LYS 20 far 0 87 0 - 9.9-14.7 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 13 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 2.4-3.8 3.5=80, 4235/2.9=18...(42) HD3 LYS 94 + HB2 LYS 94 OK 76 76 100 99 2.1-3.6 3.5=80, 7518/7513=19...(41) HG2 ARG 19 - HB3 LYS 20 far 2 49 5 - 4.0-7.7 HG3 LYS 90 - HB3 LYS 20 far 0 48 0 - 4.7-9.4 HG3 LYS 90 - HB2 LYS 94 far 0 52 0 - 5.2-10.0 HG2 LYS 24 - HB3 LYS 20 far 0 51 0 - 5.2-7.4 HG2 LYS 24 - HB2 LYS 94 far 0 56 0 - 5.9-8.8 HG LEU 27 - HB2 LYS 94 far 0 76 0 - 7.7-9.3 HB3 LEU 29 - HB3 LYS 20 far 0 67 0 - 7.9-9.2 HG LEU 27 - HB2 MET 1 far 0 60 0 - 8.4-11.4 HD3 LYS 94 - HB3 LYS 20 far 0 70 0 - 9.0-13.2 HD2 LYS 94 - HB3 LYS 20 far 0 87 0 - 9.7-12.8 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 21 assignments used, quality = 1.00: * HD2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.0-3.7 3.9=54, 6774/2146=17...(133) HD3 LYS 47 + HB3 LYS 47 OK 90 100 90 100 2.3-4.2 3.9=54, 6775/2146=16...(139) HG3 LYS 20 + HB3 LYS 20 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 20 + HB3 LYS 20 OK 86 87 100 99 2.0-3.7 3.5=75, ~848=14...(86) HD2 LYS 20 + HB3 LYS 20 OK 78 87 90 99 2.0-4.2 3.5=75, ~848=14...(86) HD3 LYS 24 - HB3 LYS 20 far 4 80 5 - 4.1-9.3 HD2 LYS 24 - HB3 LYS 20 far 0 81 0 - 5.0-8.4 HB3 ARG 91 - HB2 LYS 94 far 0 93 0 - 5.3-7.8 HD3 LYS 90 - HB2 LYS 94 far 0 86 0 - 5.4-10.9 HD3 LYS 90 - HB3 LYS 20 far 0 80 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 63 0 - 5.7-7.5 HB ILE 52 - HB3 LYS 47 far 0 99 0 - 6.5-9.2 HB3 LYS 53 - HB2 MET 1 far 0 75 0 - 6.5-9.1 HD3 LYS 24 - HB2 LYS 94 far 0 86 0 - 7.7-10.1 HD2 LYS 24 - HB2 LYS 94 far 0 87 0 - 7.8-10.2 HB ILE 52 - HB2 MET 1 far 0 73 0 - 8.0-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 92 0 - 8.1-12.7 HD2 LYS 13 - HB3 LYS 20 far 0 76 0 - 8.3-13.1 HD3 LYS 13 - HB3 LYS 20 far 0 73 0 - 8.5-13.4 HB2 LEU 2 - HB3 LYS 47 far 0 91 0 - 9.3-11.8 HG2 PRO 86 - HB3 LYS 20 far 0 83 0 - 9.6-12.7 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 21 assignments used, quality = 1.00: HD2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.0-3.7 3.9=54, 6775/2146=17...(133) * HD3 LYS 47 + HB3 LYS 47 OK 90 100 90 100 2.3-4.2 3.9=54, 6775/2146=16...(139) HG3 LYS 20 + HB3 LYS 20 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 20 + HB3 LYS 20 OK 86 86 100 99 2.0-3.7 3.5=75, ~848=14...(86) HD2 LYS 20 + HB3 LYS 20 OK 78 87 90 99 2.0-4.2 3.5=75, ~848=14...(86) HD3 LYS 24 - HB3 LYS 20 far 4 81 5 - 4.1-9.3 HD2 LYS 24 - HB3 LYS 20 far 0 82 0 - 5.0-8.4 HB3 ARG 91 - HB2 LYS 94 far 0 93 0 - 5.3-7.8 HD3 LYS 90 - HB2 LYS 94 far 0 87 0 - 5.4-10.9 HD3 LYS 90 - HB3 LYS 20 far 0 81 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 65 0 - 5.7-7.5 HB ILE 52 - HB3 LYS 47 far 0 99 0 - 6.5-9.2 HB3 LYS 53 - HB2 MET 1 far 0 76 0 - 6.5-9.1 HD3 LYS 24 - HB2 LYS 94 far 0 87 0 - 7.7-10.1 HD2 LYS 24 - HB2 LYS 94 far 0 88 0 - 7.8-10.2 HB ILE 52 - HB2 MET 1 far 0 73 0 - 8.0-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 92 0 - 8.1-12.7 HD2 LYS 13 - HB3 LYS 20 far 0 77 0 - 8.3-13.1 HD3 LYS 13 - HB3 LYS 20 far 0 74 0 - 8.5-13.4 HB2 LEU 2 - HB3 LYS 47 far 0 92 0 - 9.3-11.8 HG2 PRO 86 - HB3 LYS 20 far 0 84 0 - 9.6-12.7 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 14 assignments used, quality = 1.00: * HE2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.0-5.0 4.9=72, 6.6/2146=27...(126) HE3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.7-5.0 4.9=72, 6.6/2146=27...(126) HB2 ASN 51 + HB2 MET 1 OK 43 54 80 98 3.3-5.6 9131/3.0=44, ~8006=39...(15) HG2 MET 21 + HB2 LYS 94 OK 35 60 70 84 3.8-6.4 8534/7513=33, ~12253=20...(11) HE3 LYS 24 - HB3 LYS 20 far 12 83 15 - 4.3-9.9 HG2 MET 21 - HB3 LYS 20 poor 11 55 20 - 4.0-7.5 HE2 LYS 24 - HB3 LYS 20 far 4 83 5 - 4.9-10.5 HE3 LYS 90 - HB3 LYS 20 far 0 48 0 - 5.5-9.9 HB3 PHE 45 - HB3 LYS 47 far 0 100 0 - 6.1-7.9 HB2 PHE 45 - HB3 LYS 47 far 0 99 0 - 6.3-7.7 HE2 LYS 24 - HB2 LYS 94 far 0 89 0 - 6.8-11.4 HE3 LYS 90 - HB2 LYS 94 far 0 52 0 - 7.4-10.5 HE3 LYS 24 - HB2 LYS 94 far 0 89 0 - 8.4-11.2 HE2 LYS 13 - HB3 LYS 20 far 0 82 0 - 8.6-14.8 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 14 assignments used, quality = 1.00: HE2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.0-5.0 4.9=72, 6.6/2146=27...(126) * HE3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.7-5.0 4.9=72, 6.6/2146=27...(126) HB2 ASN 51 + HB2 MET 1 OK 43 54 80 98 3.3-5.6 9131/3.0=44, ~8006=39...(15) HG2 MET 21 + HB2 LYS 94 OK 35 60 70 84 3.8-6.4 8534/7513=33, ~12253=20...(11) HE3 LYS 24 - HB3 LYS 20 far 12 83 15 - 4.3-9.9 HG2 MET 21 - HB3 LYS 20 poor 11 55 20 - 4.0-7.5 HE2 LYS 24 - HB3 LYS 20 far 4 83 5 - 4.9-10.5 HE3 LYS 90 - HB3 LYS 20 far 0 48 0 - 5.5-9.9 HB3 PHE 45 - HB3 LYS 47 far 0 100 0 - 6.1-7.9 HB2 PHE 45 - HB3 LYS 47 far 0 99 0 - 6.3-7.7 HE2 LYS 24 - HB2 LYS 94 far 0 89 0 - 6.8-11.4 HE3 LYS 90 - HB2 LYS 94 far 0 52 0 - 7.4-10.5 HE3 LYS 24 - HB2 LYS 94 far 0 89 0 - 8.4-11.2 HE2 LYS 13 - HB3 LYS 20 far 0 82 0 - 8.6-14.8 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 2.2-3.9 6783=100, 6782/1.8=90...(13) H GLU 44 - HB3 LYS 47 far 0 97 0 - 6.2-7.2 HE22 GLN 50 - HB3 LYS 47 far 0 99 0 - 6.6-12.6 HE22 GLN 50 - HB2 MET 1 far 0 74 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (7.47, 1.49, 25.00 ppm; 4.10 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 47 + HG2 LYS 47 OK 100 100 100 100 1.9-3.8 6772=100, 6773/1.8=92...(33) H ILE 52 + HG2 LYS 53 OK 40 50 100 79 4.1-4.4 4.0/10852=34...(8) H ILE 52 - HG3 LYS 53 far 3 62 5 - 4.9-5.8 HE ARG 46 - HG2 LYS 47 far 0 100 0 - 5.7-9.7 HE22 GLN 72 - HG2 LYS 73 far 0 75 0 - 6.3-9.7 HD22 ASN 26 - HG3 LYS 24 far 0 88 0 - 7.5-10.1 HE ARG 46 - HG2 LYS 73 far 0 100 0 - 8.4-13.5 H ILE 52 - HG2 LYS 47 far 0 90 0 - 8.6-12.1 HE ARG 19 - HG3 LYS 33 far 0 76 0 - 8.9-15.3 HE ARG 19 - HG3 LYS 24 far 0 77 0 - 9.4-13.3 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 10 assignments used, quality = 1.00: * HA LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.6-4.0 2126=62, 2.9/6772=41...(55) HA LYS 13 + HG3 LYS 13 OK 97 97 100 100 2.2-3.3 486=85, 518/1.8=49...(39) HA LYS 73 + HG2 LYS 73 OK 75 81 95 98 2.4-4.2 4.1=49, 3.0/7207=40...(43) HA GLU 23 - HG3 LYS 24 far 0 88 0 - 5.1-7.8 HA MET 1 - HG3 LYS 53 far 0 70 0 - 5.5-9.5 HA GLN 72 - HG2 LYS 73 far 0 98 0 - 5.7-7.3 HA MET 1 - HG2 LYS 53 far 0 58 0 - 6.5-8.3 HA GLU 99 - HG3 LYS 53 far 0 64 0 - 9.0-11.1 HA GLU 99 - HG2 LYS 53 far 0 52 0 - 9.6-11.6 HA MET 1 - HG2 LYS 47 far 0 97 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 2159 from cnoeabs.peaks (1.97, 1.49, 25.00 ppm; 3.07 A): 7 out of 28 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 2.2-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 98 98 100 100 2.4-3.0 2.9=100 HB3 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.4-3.0 2.9=100 HB2 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.4-3.0 2.9=100 QE MET 1 + HG2 LYS 53 OK 50 61 95 87 3.0-4.4 8027/3.0=32...(16) QE MET 1 + HG3 LYS 53 OK 41 74 65 86 1.9-4.7 8027/3.0=32...(14) HB2 ARG 46 - HG2 LYS 47 far 10 100 10 - 3.6-7.2 HB3 ARG 46 - HG2 LYS 47 far 10 99 10 - 3.6-7.9 HB3 GLU 44 - HG2 LYS 47 far 0 73 0 - 4.0-7.2 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 4.2-8.0 HB3 LYS 20 - HG3 LYS 24 far 0 55 0 - 4.4-8.7 HB2 GLU 44 - HG2 LYS 47 far 0 73 0 - 4.7-7.9 QE MET 74 - HG2 LYS 73 far 0 71 0 - 4.8-8.1 HB2 GLU 37 - HG3 LYS 33 far 0 86 0 - 5.1-6.1 HB VAL 32 - HG3 LYS 33 far 0 65 0 - 5.3-6.0 HB2 MET 1 - HG3 LYS 53 far 0 55 0 - 5.7-9.6 HB3 MET 1 - HG3 LYS 53 far 0 45 0 - 6.0-9.8 HB3 GLU 17 - HG3 LYS 13 far 0 60 0 - 6.4-9.3 HB3 MET 1 - HG2 LYS 53 far 0 36 0 - 6.8-8.7 QE MET 74 - HG2 LYS 47 far 0 71 0 - 7.1-11.1 HB2 MET 1 - HG2 LYS 53 far 0 45 0 - 7.2-8.7 HB2 GLU 17 - HG3 LYS 13 far 0 80 0 - 7.5-10.2 HB3 ARG 19 - HG3 LYS 24 far 0 47 0 - 8.1-12.1 HB2 GLU 17 - HG3 LYS 24 far 0 67 0 - 8.9-12.9 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 9.2-13.5 HB2 GLU 35 - HG2 LYS 73 far 0 59 0 - 9.4-12.4 HB3 LYS 20 - HG3 LYS 13 far 0 68 0 - 9.8-13.5 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 99 100 100 99 2.3-3.0 3.0=80, 2146/6772=25...(67) HB2 LYS 13 + HG3 LYS 13 OK 96 98 100 98 2.4-3.0 3.0=80, 3.0/486=34...(51) HB3 LYS 13 + HG3 LYS 13 OK 96 98 100 98 2.5-3.0 3.0=80, 3.0/486=34...(50) HB2 LYS 33 + HG3 LYS 33 OK 86 87 100 99 2.5-3.0 2.8=90, 3.0/1418=32...(36) HB3 LYS 33 + HG3 LYS 33 OK 85 86 100 99 2.6-3.0 2.8=90, 3.0/1418=32...(36) HB3 LYS 73 + HG2 LYS 73 OK 72 73 100 98 2.4-3.0 2.9=83, 3.0/3231=22...(61) HB2 LYS 73 + HG2 LYS 73 OK 70 71 100 99 2.2-3.0 2.9=83, 3.0/3231=22...(62) HB3 LYS 24 + HG3 LYS 24 OK 47 48 100 98 2.4-3.0 2.9=82, 3.0/1096=25...(65) HB2 LYS 24 + HG3 LYS 24 OK 47 48 100 98 2.4-3.0 2.9=82, 3.0/1096=25...(60) HB3 ARG 46 - HG2 LYS 47 far 3 68 5 - 3.6-7.9 HB2 LYS 20 - HG3 LYS 24 far 0 54 0 - 4.0-7.1 HB3 MET 74 - HG2 LYS 73 far 0 61 0 - 4.2-8.0 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 4.4-8.7 HB2 GLU 43 - HG2 LYS 47 far 0 94 0 - 4.8-10.0 HB VAL 32 - HG3 LYS 33 far 0 81 0 - 5.3-6.0 HB2 MET 1 - HG3 LYS 53 far 0 67 0 - 5.7-9.6 HB3 LEU 14 - HG3 LYS 13 far 0 88 0 - 5.9-7.7 HB2 LYS 94 - HG3 LYS 24 far 0 89 0 - 6.3-9.8 HB VAL 54 - HG3 LYS 53 far 0 38 0 - 6.9-8.4 HB VAL 54 - HG2 LYS 53 far 0 30 0 - 7.1-7.8 HB2 MET 1 - HG2 LYS 53 far 0 55 0 - 7.2-8.7 HB ILE 8 - HG3 LYS 33 far 0 63 0 - 7.4-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 93 0 - 7.5-10.2 HB2 ARG 19 - HG3 LYS 24 far 0 59 0 - 8.1-11.2 HB3 ARG 19 - HG3 LYS 24 far 0 88 0 - 8.1-12.1 HG LEU 42 - HG2 LYS 73 far 0 81 0 - 8.7-11.7 HB2 GLU 17 - HG3 LYS 24 far 0 80 0 - 8.9-12.9 HB3 MET 74 - HG2 LYS 47 far 0 61 0 - 9.2-13.5 HB3 LYS 20 - HG3 LYS 13 far 0 98 0 - 9.8-13.5 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 39 - HG2 LYS 73 far 0 73 0 - 3.6-9.8 HD3 LYS 39 - HG2 LYS 73 far 0 93 0 - 4.7-8.8 HG3 LYS 12 - HG3 LYS 13 far 0 79 0 - 5.7-7.8 HB3 ARG 79 - HG3 LYS 53 far 0 48 0 - 6.1-10.7 HB2 ARG 79 - HG3 LYS 53 far 0 62 0 - 6.3-9.6 HD3 LYS 94 - HG3 LYS 24 far 0 71 0 - 6.9-12.5 HB3 ARG 79 - HG2 LYS 53 far 0 39 0 - 7.0-10.0 HG3 LYS 90 - HG3 LYS 24 far 0 48 0 - 7.3-11.0 HB2 ARG 79 - HG2 LYS 53 far 0 50 0 - 7.4-10.4 HB ILE 76 - HG2 LYS 73 far 0 89 0 - 7.4-10.4 HD2 LYS 94 - HG3 LYS 24 far 0 89 0 - 7.5-10.9 HD2 LYS 66 - HG2 LYS 73 far 0 91 0 - 7.6-13.5 HG2 ARG 19 - HG3 LYS 24 far 0 50 0 - 7.7-12.8 HG2 LYS 68 - HG2 LYS 73 far 0 92 0 - 8.0-12.0 HG LEU 27 - HG3 LYS 24 far 0 71 0 - 8.0-9.5 HB2 ARG 30 - HG3 LYS 33 far 0 77 0 - 8.0-9.8 HG3 LYS 12 - HG3 LYS 33 far 0 65 0 - 8.1-10.5 HB3 LEU 6 - HG3 LYS 33 far 0 68 0 - 8.4-11.2 HB ILE 76 - HG2 LYS 53 far 0 50 0 - 8.4-10.1 HB3 LEU 29 - HG3 LYS 24 far 0 69 0 - 8.9-12.0 HB2 LEU 103 - HG2 LYS 53 far 0 33 0 - 8.9-14.5 HB ILE 76 - HG3 LYS 53 far 0 62 0 - 9.0-11.7 HD2 LYS 68 - HG2 LYS 73 far 0 77 0 - 9.2-12.3 HB2 LEU 103 - HG3 LYS 53 far 0 41 0 - 9.3-14.6 HB2 LYS 40 - HG3 LYS 33 far 0 71 0 - 9.4-11.8 HB ILE 76 - HG2 LYS 47 far 0 90 0 - 9.5-12.4 HG LEU 27 - HG3 LYS 53 far 0 59 0 - 9.6-12.5 HD3 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.7-13.1 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 48 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 93 100 100 93 2.2-3.0 3.0=53, 2195/1.8=10...(67) * HD2 LYS 47 + HG2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=53, 2195/1.8=10...(55) HD2 LYS 73 + HG2 LYS 73 OK 90 98 100 92 2.2-3.0 3.0=54, 3298/1.8=20...(54) HD3 LYS 73 + HG2 LYS 73 OK 89 96 100 93 2.4-3.0 3.0=54, 3298/1.8=20...(60) HD2 LYS 13 + HG3 LYS 13 OK 78 90 100 87 2.4-3.0 3.0=54, 1.8/555=9...(41) HD3 LYS 13 + HG3 LYS 13 OK 76 88 100 87 2.2-3.0 3.0=54, 1.8/555=9...(41) HD2 LYS 24 + HG3 LYS 24 OK 74 82 100 90 2.4-3.0 3.0=54, 1110/1.8=10...(48) HD3 LYS 24 + HG3 LYS 24 OK 74 81 100 91 2.2-3.0 3.0=54, 1110/1.8=11...(52) HB3 LYS 53 + HG3 LYS 53 OK 68 75 100 91 2.2-3.0 3.0=53, 2451/3.0=27...(25) HB3 LYS 53 + HG2 LYS 53 OK 57 62 100 91 2.5-3.0 3.0=53, 2451/3.0=27...(26) HD2 LYS 39 - HG2 LYS 73 far 0 84 0 - 3.6-9.8 HD3 LYS 39 - HG2 LYS 73 far 0 59 0 - 4.7-8.8 HG LEU 70 - HG2 LYS 73 far 0 94 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 67 0 - 5.0-7.6 HB ILE 52 - HG2 LYS 53 far 0 60 0 - 5.3-5.7 HG3 LYS 20 - HG3 LYS 24 far 0 88 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 90 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 83 0 - 5.9-7.7 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 90 0 - 6.1-9.0 HB3 ARG 79 - HG3 LYS 53 far 0 57 0 - 6.1-10.7 HB ILE 52 - HG2 LYS 47 far 0 99 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.4-10.2 HD2 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 97 0 - 6.9-8.7 HB3 ARG 79 - HG2 LYS 53 far 0 46 0 - 7.0-10.0 HD3 LYS 66 - HG2 LYS 73 far 0 91 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 76 0 - 7.3-10.9 HB2 LEU 2 - HG3 LYS 53 far 0 63 0 - 7.4-10.5 HB ILE 76 - HG2 LYS 73 far 0 65 0 - 7.4-10.4 HB2 LEU 2 - HG2 LYS 47 far 0 91 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 81 0 - 7.9-12.9 HD3 LYS 12 - HG3 LYS 33 far 0 76 0 - 7.9-12.0 HG2 LYS 68 - HG2 LYS 73 far 0 61 0 - 8.0-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.0-12.9 HB2 LEU 2 - HG2 LYS 53 far 0 51 0 - 8.1-9.3 HD2 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.2-12.0 HB3 LEU 6 - HG3 LYS 33 far 0 58 0 - 8.4-11.2 HB ILE 76 - HG2 LYS 53 far 0 34 0 - 8.4-10.1 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 8.8-10.4 HB ILE 76 - HG3 LYS 53 far 0 42 0 - 9.0-11.7 HD2 LYS 68 - HG2 LYS 73 far 0 81 0 - 9.2-12.3 HG3 LYS 20 - HG3 LYS 13 far 0 99 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 88 0 - 9.4-11.8 HB2 LYS 40 - HG3 LYS 33 far 0 55 0 - 9.4-11.8 HB ILE 76 - HG2 LYS 47 far 0 65 0 - 9.5-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 94 0 - 9.7-15.3 HD3 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.7-13.1 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 47 assignments used, quality = 1.00: * HD3 LYS 47 + HG2 LYS 47 OK 93 100 100 93 2.2-3.0 3.0=53, 2195/1.8=10...(67) HD2 LYS 47 + HG2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=53, 2195/1.8=10...(55) HD2 LYS 73 + HG2 LYS 73 OK 89 97 100 92 2.2-3.0 3.0=54, 3298/1.8=20...(54) HD3 LYS 73 + HG2 LYS 73 OK 89 96 100 93 2.4-3.0 3.0=54, 3298/1.8=20...(60) HD2 LYS 13 + HG3 LYS 13 OK 79 91 100 87 2.4-3.0 3.0=54, 1.8/555=9...(41) HD3 LYS 13 + HG3 LYS 13 OK 78 89 100 87 2.2-3.0 3.0=54, 1.8/555=9...(41) HD2 LYS 24 + HG3 LYS 24 OK 75 83 100 90 2.4-3.0 3.0=54, 1110/1.8=11...(48) HD3 LYS 24 + HG3 LYS 24 OK 75 82 100 91 2.2-3.0 3.0=54, 1110/1.8=11...(52) HB3 LYS 53 + HG3 LYS 53 OK 69 75 100 91 2.2-3.0 3.0=53, 2451/3.0=27...(25) HB3 LYS 53 + HG2 LYS 53 OK 57 62 100 91 2.5-3.0 3.0=53, 2451/3.0=27...(26) HD2 LYS 39 - HG2 LYS 73 far 0 82 0 - 3.6-9.8 HG LEU 70 - HG2 LYS 73 far 0 95 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 69 0 - 5.0-7.6 HB ILE 52 - HG2 LYS 53 far 0 59 0 - 5.3-5.7 HG3 LYS 20 - HG3 LYS 24 far 0 87 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 91 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 84 0 - 5.9-7.7 HB ILE 52 - HG3 LYS 53 far 0 72 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 91 0 - 6.1-9.0 HB3 ARG 79 - HG3 LYS 53 far 0 55 0 - 6.1-10.7 HB ILE 52 - HG2 LYS 47 far 0 99 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 87 0 - 6.4-10.2 HD2 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 97 0 - 6.9-8.7 HB3 ARG 79 - HG2 LYS 53 far 0 45 0 - 7.0-10.0 HD3 LYS 66 - HG2 LYS 73 far 0 92 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 77 0 - 7.3-10.9 HB2 LEU 2 - HG3 LYS 53 far 0 64 0 - 7.4-10.5 HB ILE 76 - HG2 LYS 73 far 0 63 0 - 7.4-10.4 HB2 LEU 2 - HG2 LYS 47 far 0 92 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 82 0 - 7.9-12.9 HD3 LYS 12 - HG3 LYS 33 far 0 77 0 - 7.9-12.0 HG2 LYS 68 - HG2 LYS 73 far 0 59 0 - 8.0-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.0-12.9 HB2 LEU 2 - HG2 LYS 53 far 0 52 0 - 8.1-9.3 HD2 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.2-12.0 HB3 LEU 6 - HG3 LYS 33 far 0 57 0 - 8.4-11.2 HB ILE 76 - HG2 LYS 53 far 0 33 0 - 8.4-10.1 HG12 ILE 15 - HG3 LYS 13 far 0 97 0 - 8.8-10.4 HB ILE 76 - HG3 LYS 53 far 0 41 0 - 9.0-11.7 HD2 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.2-12.3 HG3 LYS 20 - HG3 LYS 13 far 0 99 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 88 0 - 9.4-11.8 HB2 LYS 40 - HG3 LYS 33 far 0 53 0 - 9.4-11.8 HB ILE 76 - HG2 LYS 47 far 0 63 0 - 9.5-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 95 0 - 9.7-15.3 HD3 LYS 68 - HG2 LYS 73 far 0 77 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.36 A): 8 out of 26 assignments used, quality = 1.00: * HE2 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.0-4.2 3.8=71, 2217/1.8=19...(127) HE3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.1-3.8 3.8=71, 2176/1.8=16...(127) HE2 LYS 13 + HG3 LYS 13 OK 94 96 100 99 2.6-4.1 3.8=68, 474/1.8=21...(76) HE3 LYS 13 + HG3 LYS 13 OK 93 94 100 99 2.1-4.2 3.8=68, 474/1.8=21...(76) HE2 LYS 73 + HG2 LYS 73 OK 88 88 100 99 2.0-4.0 4.0=59, 3.0/3297=15...(113) HE3 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.1-4.2 3.7=74, 12306/3.7=19...(104) HE2 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.2-4.1 3.7=74, 12306/3.7=18...(104) HE3 LYS 73 + HG2 LYS 73 OK 80 81 100 99 2.2-3.9 4.0=59, 3.0/3297=15...(110) HB3 ASP 11 - HG3 LYS 13 poor 18 90 20 - 3.7-6.9 HG2 MET 21 - HG3 LYS 24 far 0 55 0 - 4.6-8.5 HB2 ASN 51 - HG3 LYS 53 far 0 54 0 - 4.8-7.3 HB2 ASN 51 - HG2 LYS 53 far 0 44 0 - 4.9-5.9 HE3 LYS 12 - HG3 LYS 13 far 0 98 0 - 5.4-10.6 HE2 LYS 12 - HG3 LYS 13 far 0 70 0 - 5.6-9.8 HB2 PHE 45 - HG2 LYS 47 far 0 99 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 100 0 - 6.1-8.7 HE2 LYS 12 - HG3 LYS 33 far 0 57 0 - 6.9-12.2 HE3 LYS 12 - HG3 LYS 33 far 0 86 0 - 7.5-12.5 HB3 PHE 45 - HG2 LYS 53 far 0 61 0 - 7.6-8.6 HB2 SER 9 - HG3 LYS 33 far 0 80 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 93 0 - 8.0-10.5 HB3 PHE 45 - HG3 LYS 53 far 0 74 0 - 8.1-9.4 HE3 LYS 90 - HG3 LYS 13 far 0 60 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 48 0 - 8.5-13.8 HB2 PHE 45 - HG2 LYS 53 far 0 61 0 - 8.8-10.3 HB2 PHE 45 - HG3 LYS 53 far 0 73 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.36 A): 8 out of 26 assignments used, quality = 1.00: HE2 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.0-4.2 3.8=71, 2217/1.8=19...(127) * HE3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.1-3.8 3.8=71, 2176/1.8=16...(127) HE2 LYS 13 + HG3 LYS 13 OK 94 96 100 99 2.6-4.1 3.8=68, 474/1.8=21...(76) HE3 LYS 13 + HG3 LYS 13 OK 93 94 100 99 2.1-4.2 3.8=68, 474/1.8=21...(76) HE2 LYS 73 + HG2 LYS 73 OK 88 88 100 99 2.0-4.0 4.0=59, 3.0/3297=15...(113) HE3 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.1-4.2 3.7=74, 12306/3.7=19...(104) HE2 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.2-4.1 3.7=74, 12306/3.7=18...(104) HE3 LYS 73 + HG2 LYS 73 OK 80 81 100 99 2.2-3.9 4.0=59, 3.0/3297=15...(110) HB3 ASP 11 - HG3 LYS 13 poor 18 90 20 - 3.7-6.9 HG2 MET 21 - HG3 LYS 24 far 0 55 0 - 4.6-8.5 HB2 ASN 51 - HG3 LYS 53 far 0 54 0 - 4.8-7.3 HB2 ASN 51 - HG2 LYS 53 far 0 44 0 - 4.9-5.9 HE3 LYS 12 - HG3 LYS 13 far 0 98 0 - 5.4-10.6 HE2 LYS 12 - HG3 LYS 13 far 0 70 0 - 5.6-9.8 HB2 PHE 45 - HG2 LYS 47 far 0 99 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 100 0 - 6.1-8.7 HE2 LYS 12 - HG3 LYS 33 far 0 57 0 - 6.9-12.2 HE3 LYS 12 - HG3 LYS 33 far 0 86 0 - 7.5-12.5 HB3 PHE 45 - HG2 LYS 53 far 0 61 0 - 7.6-8.6 HB2 SER 9 - HG3 LYS 33 far 0 80 0 - 7.7-9.2 HB2 SER 9 - HG3 LYS 13 far 0 93 0 - 8.0-10.5 HB3 PHE 45 - HG3 LYS 53 far 0 74 0 - 8.1-9.4 HE3 LYS 90 - HG3 LYS 13 far 0 60 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 48 0 - 8.5-13.8 HB2 PHE 45 - HG2 LYS 53 far 0 61 0 - 8.8-10.3 HB2 PHE 45 - HG3 LYS 53 far 0 73 0 - 9.4-10.7 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 2.1-4.9 6784=100, 6783/3.0=97...(17) H GLU 44 + HG2 LYS 47 OK 44 97 45 100 4.5-8.2 3.0/12088=92, ~12089=69...(15) HE22 GLN 50 - HG2 LYS 47 far 10 99 10 - 5.7-14.4 HD22 ASN 10 - HG3 LYS 33 lone 0 85 25 2 6.1-9.7 HD22 ASN 10 - HG3 LYS 13 far 0 98 0 - 8.8-13.8 H LYS 40 - HG2 LYS 73 far 0 95 0 - 9.6-13.5 HE22 GLN 50 - HG2 LYS 53 far 0 61 0 - 9.7-11.3 H GLU 48 - HG2 LYS 53 far 0 63 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (7.47, 1.62, 25.00 ppm; 3.75 A): 1 out of 7 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...(29) HE22 GLN 72 - HG2 LYS 68 far 2 40 5 - 3.3-8.0 HE ARG 46 - HG3 LYS 47 far 0 100 0 - 5.8-9.0 HE22 GLN 72 - HG3 LYS 73 far 0 48 0 - 6.0-8.4 HE ARG 19 - HG3 LYS 12 far 0 52 0 - 7.3-11.7 H ILE 52 - HG3 LYS 47 far 0 90 0 - 8.1-12.0 HE ARG 46 - HG3 LYS 73 far 0 73 0 - 9.5-13.5 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 6 assignments used, quality = 1.00: * HA LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.6-3.8 3.9=91, 2.9/6773=65...(68) HA LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.3-3.9 4.1=79, 3.0/7208=51...(53) HA GLN 72 - HG3 LYS 73 far 0 70 0 - 5.6-6.4 HA LYS 13 - HG3 LYS 12 far 0 59 0 - 6.3-6.7 HA GLU 62 - HG2 LYS 68 far 0 50 0 - 6.7-10.1 HA GLN 72 - HG2 LYS 68 far 0 60 0 - 7.8-9.5 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 15 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 HB3 MET 74 - HG3 LYS 73 far 11 72 15 - 4.1-8.3 HB3 ARG 46 - HG3 LYS 47 poor 8 99 25 31 3.5-6.3 4.7/6773=30 HB2 ARG 46 - HG3 LYS 47 far 5 100 5 - 4.2-7.4 HB3 GLU 44 - HG3 LYS 47 far 0 73 0 - 4.6-6.4 QE MET 74 - HG3 LYS 73 far 0 45 0 - 5.0-8.1 HB2 GLU 44 - HG3 LYS 47 far 0 73 0 - 5.4-7.3 QE MET 74 - HG3 LYS 47 far 0 71 0 - 7.5-9.7 HB2 LYS 73 - HG2 LYS 68 far 0 60 0 - 8.7-10.9 HB3 ARG 19 - HG3 LYS 12 far 0 30 0 - 8.7-11.7 HB2 GLU 35 - HG3 LYS 73 far 0 36 0 - 9.0-13.6 QE MET 74 - HG2 LYS 68 far 0 38 0 - 9.8-11.7 HB3 MET 74 - HG3 LYS 47 far 0 100 0 - 10.0-12.1 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 HB3 ARG 46 - HG3 LYS 47 poor 17 68 25 - 3.5-6.3 HB3 MET 74 - HG3 LYS 73 far 4 38 10 - 4.1-8.3 HB2 GLU 43 - HG3 LYS 47 far 0 94 0 - 5.3-8.6 HB2 LYS 13 - HG3 LYS 12 far 0 61 0 - 6.4-8.1 HB3 LEU 14 - HG3 LYS 12 far 0 50 0 - 7.3-8.8 HB3 LYS 13 - HG3 LYS 12 far 0 60 0 - 7.6-8.4 HG LEU 42 - HG3 LYS 73 far 0 52 0 - 8.1-12.2 HB2 LYS 73 - HG2 LYS 68 far 0 38 0 - 8.7-10.9 HB3 ARG 19 - HG3 LYS 12 far 0 62 0 - 8.7-11.7 HB3 LYS 33 - HG3 LYS 12 far 0 61 0 - 9.2-13.0 HB2 LYS 33 - HG3 LYS 12 far 0 61 0 - 9.2-12.6 HB VAL 54 - HG2 LYS 68 far 0 30 0 - 9.4-12.6 HB2 ARG 19 - HG3 LYS 12 far 0 39 0 - 9.7-12.5 HB ILE 8 - HG2 LYS 68 far 0 42 0 - 9.8-11.6 HB3 MET 74 - HG3 LYS 47 far 0 61 0 - 10.0-12.1 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 22 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 far 6 60 10 - 3.0-4.7 HB3 LEU 64 - HG2 LYS 68 far 0 63 0 - 5.1-6.4 HG3 LYS 13 - HG3 LYS 12 far 0 62 0 - 5.7-7.8 HG LEU 2 - HG3 LYS 47 far 0 87 0 - 6.1-11.6 HG2 LYS 66 - HG2 LYS 68 far 0 63 0 - 6.1-9.8 HG13 ILE 52 - HG3 LYS 47 far 0 70 0 - 6.3-10.7 HG12 ILE 56 - HG2 LYS 68 far 0 29 0 - 6.7-10.1 HG LEU 38 - HG2 LYS 68 far 0 39 0 - 7.5-13.2 HG3 LYS 66 - HG2 LYS 68 far 0 63 0 - 7.5-10.7 HB2 LEU 14 - HG3 LYS 12 far 0 40 0 - 7.8-9.6 HG2 LYS 73 - HG2 LYS 68 far 0 63 0 - 8.0-12.0 HB2 LEU 38 - HG3 LYS 73 far 0 41 0 - 8.0-13.9 HG LEU 38 - HG3 LYS 73 far 0 46 0 - 8.1-13.3 HG3 LYS 33 - HG3 LYS 12 far 0 58 0 - 8.1-10.5 HG2 LYS 66 - HG3 LYS 73 far 0 73 0 - 8.5-11.7 HB2 LEU 38 - HG2 LYS 68 far 0 34 0 - 8.9-12.1 HG3 LYS 66 - HG3 LYS 73 far 0 73 0 - 9.0-11.9 HB ILE 7 - HG3 LYS 12 far 0 40 0 - 9.8-12.7 HD2 LYS 82 - HG2 LYS 68 far 0 39 0 - 10.0-11.4 HD2 LYS 40 - HG3 LYS 47 far 0 82 0 - 10.0-13.9 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 31 assignments used, quality = 1.00: HD3 LYS 47 + HG3 LYS 47 OK 94 100 100 94 2.2-3.0 3.0=53, 1.8/2195=10...(75) * HD2 LYS 47 + HG3 LYS 47 OK 93 100 100 93 2.4-3.0 3.0=53, 1.8/2195=10...(64) HD2 LYS 73 + HG3 LYS 73 OK 62 68 100 91 2.2-3.0 3.0=54, 1.8/3298=18...(56) HD3 LYS 73 + HG3 LYS 73 OK 61 67 100 92 2.2-3.0 3.0=54, 1.8/3298=18...(61) HD2 LYS 12 + HG3 LYS 12 OK 49 52 100 93 2.2-3.0 3.0=52, 3.0/464=16...(43) HD3 LYS 12 + HG3 LYS 12 OK 49 52 100 93 2.5-3.0 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...(54) HD3 LYS 68 + HG2 LYS 68 OK 39 42 100 92 2.2-3.0 3.0=53, 1728/1.8=8...(54) HB3 LEU 70 - HG3 LYS 73 far 0 42 0 - 3.9-7.5 HD2 LYS 39 - HG3 LYS 73 far 0 55 0 - 4.0-10.5 HG LEU 70 - HG3 LYS 73 far 0 64 0 - 4.8-8.4 HD3 LYS 39 - HG3 LYS 73 far 0 36 0 - 4.8-9.6 HG12 ILE 15 - HG3 LYS 12 far 0 58 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 52 0 - 5.3-9.2 HD3 LYS 13 - HG3 LYS 12 far 0 50 0 - 5.6-9.4 HD3 LYS 66 - HG2 LYS 68 far 0 51 0 - 5.9-10.1 HB ILE 52 - HG3 LYS 47 far 0 99 0 - 6.0-10.0 HB3 LEU 70 - HG2 LYS 68 far 0 35 0 - 6.3-9.7 HB ILE 76 - HG3 LYS 73 far 0 41 0 - 6.6-10.3 HG LEU 70 - HG2 LYS 68 far 0 54 0 - 6.8-8.9 HB3 ARG 79 - HG2 LYS 68 far 0 46 0 - 7.0-11.2 HD3 LYS 66 - HG3 LYS 73 far 0 61 0 - 7.2-11.7 HB2 LEU 2 - HG3 LYS 47 far 0 91 0 - 7.7-13.5 HG2 LYS 68 - HG3 LYS 73 far 0 38 0 - 8.1-11.0 HD2 LYS 68 - HG3 LYS 73 far 0 52 0 - 8.4-11.6 HD2 LYS 73 - HG2 LYS 68 far 0 58 0 - 8.6-12.4 HD3 LYS 68 - HG3 LYS 73 far 0 51 0 - 8.8-11.7 HD3 LYS 73 - HG2 LYS 68 far 0 57 0 - 9.0-12.9 HD2 LYS 20 - HG3 LYS 12 far 0 63 0 - 9.5-14.1 HB ILE 76 - HG3 LYS 47 far 0 65 0 - 9.5-11.8 HB ILE 76 - HG2 LYS 68 far 0 34 0 - 9.6-13.0 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 30 assignments used, quality = 1.00: * HD3 LYS 47 + HG3 LYS 47 OK 94 100 100 94 2.2-3.0 3.0=53, 1.8/2195=10...(75) HD2 LYS 47 + HG3 LYS 47 OK 93 100 100 93 2.4-3.0 3.0=53, 1.8/2195=10...(64) HD2 LYS 73 + HG3 LYS 73 OK 61 68 100 91 2.2-3.0 3.0=54, 1.8/3298=18...(56) HD3 LYS 73 + HG3 LYS 73 OK 60 66 100 92 2.2-3.0 3.0=54, 1.8/3298=18...(61) HD2 LYS 12 + HG3 LYS 12 OK 49 53 100 93 2.2-3.0 3.0=52, 3.0/464=16...(43) HD3 LYS 12 + HG3 LYS 12 OK 49 53 100 93 2.5-3.0 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...(54) HD3 LYS 68 + HG2 LYS 68 OK 38 41 100 92 2.2-3.0 3.0=53, 1728/1.8=8...(54) HB3 LEU 70 - HG3 LYS 73 far 0 44 0 - 3.9-7.5 HD2 LYS 39 - HG3 LYS 73 far 0 53 0 - 4.0-10.5 HG LEU 70 - HG3 LYS 73 far 0 65 0 - 4.8-8.4 HG12 ILE 15 - HG3 LYS 12 far 0 59 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 53 0 - 5.3-9.2 HD3 LYS 13 - HG3 LYS 12 far 0 51 0 - 5.6-9.4 HD3 LYS 66 - HG2 LYS 68 far 0 52 0 - 5.9-10.1 HB ILE 52 - HG3 LYS 47 far 0 99 0 - 6.0-10.0 HB3 LEU 70 - HG2 LYS 68 far 0 36 0 - 6.3-9.7 HB ILE 76 - HG3 LYS 73 far 0 39 0 - 6.6-10.3 HG LEU 70 - HG2 LYS 68 far 0 55 0 - 6.8-8.9 HB3 ARG 79 - HG2 LYS 68 far 0 45 0 - 7.0-11.2 HD3 LYS 66 - HG3 LYS 73 far 0 62 0 - 7.2-11.7 HB2 LEU 2 - HG3 LYS 47 far 0 92 0 - 7.7-13.5 HG2 LYS 68 - HG3 LYS 73 far 0 36 0 - 8.1-11.0 HD2 LYS 68 - HG3 LYS 73 far 0 51 0 - 8.4-11.6 HD2 LYS 73 - HG2 LYS 68 far 0 58 0 - 8.6-12.4 HD3 LYS 68 - HG3 LYS 73 far 0 49 0 - 8.8-11.7 HD3 LYS 73 - HG2 LYS 68 far 0 56 0 - 9.0-12.9 HD2 LYS 20 - HG3 LYS 12 far 0 62 0 - 9.5-14.1 HB ILE 76 - HG3 LYS 47 far 0 63 0 - 9.5-11.8 HB ILE 76 - HG2 LYS 68 far 0 33 0 - 9.6-13.0 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: HE3 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.0-4.2 3.8=89, 1.8/2217=20...(138) * HE2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-4.2 3.8=89, 12105/12089=17...(138) HE3 LYS 12 + HG3 LYS 12 OK 60 61 100 100 2.4-4.2 4.0=76, 1.8/464=53...(52) HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.4-4.0 4.0=74, 3.0/3298=23...(116) HE3 LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.3-4.2 4.0=74, 3.0/3298=23...(115) HE2 LYS 12 + HG3 LYS 12 OK 37 38 100 100 2.2-3.6 4.0=76, 463/1.8=45...(72) HB3 PHE 45 - HG3 LYS 47 far 0 100 0 - 5.1-8.6 HB2 PHE 45 - HG3 LYS 47 far 0 99 0 - 5.5-8.1 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 56 0 - 6.1-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 52 0 - 6.2-8.2 HB2 SER 9 - HG3 LYS 12 far 0 55 0 - 6.8-10.6 HE2 LYS 73 - HG2 LYS 68 far 0 49 0 - 8.9-13.5 HE3 LYS 73 - HG2 LYS 68 far 0 44 0 - 9.9-13.9 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: * HE3 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.0-4.2 3.8=89, 1.8/2217=20...(138) HE2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-4.2 3.8=89, 12105/12089=17...(138) HE3 LYS 12 + HG3 LYS 12 OK 60 61 100 100 2.4-4.2 4.0=76, 1.8/464=53...(52) HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.4-4.0 4.0=74, 3.0/3298=23...(116) HE3 LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.3-4.2 4.0=74, 3.0/3298=23...(115) HE2 LYS 12 + HG3 LYS 12 OK 37 38 100 100 2.2-3.6 4.0=76, 463/1.8=45...(72) HB3 PHE 45 - HG3 LYS 47 far 0 100 0 - 5.1-8.6 HB2 PHE 45 - HG3 LYS 47 far 0 99 0 - 5.5-8.1 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 56 0 - 6.1-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 52 0 - 6.2-8.2 HB2 SER 9 - HG3 LYS 12 far 0 55 0 - 6.8-10.6 HE2 LYS 73 - HG2 LYS 68 far 0 49 0 - 8.9-13.5 HE3 LYS 73 - HG2 LYS 68 far 0 44 0 - 9.9-13.9 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 1.9-5.0 6785=100, 6780/6773=92...(13) H GLU 44 + HG3 LYS 47 OK 44 97 45 100 5.4-6.8 3.0/12089=81, ~12088=61...(11) HD22 ASN 10 - HG3 LYS 12 far 9 60 15 - 5.7-9.9 HE22 GLN 50 - HG3 LYS 47 far 0 99 0 - 6.3-14.1 H LYS 40 - HG3 LYS 73 far 0 65 0 - 9.5-13.9 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 27 assignments used, quality = 1.00: H ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.2-3.6 7443=69, 4025/1.8=64...(20) * H LYS 47 + HD2 LYS 47 OK 65 100 65 99 3.4-4.7 6773/3.0=54, 6772/3.0=47...(33) H LYS 47 + HD3 LYS 47 OK 60 100 60 100 3.2-4.9 6773/3.0=54, 6772/3.0=47...(40) H ARG 91 + HD3 LYS 90 OK 57 83 70 98 2.1-5.8 7437/1.8=60, 7435/2.9=39...(23) HE ARG 19 - HD3 LYS 20 far 4 88 5 - 3.0-10.7 HE22 GLN 72 - HD2 LYS 68 far 3 30 10 - 3.6-7.8 HE ARG 19 - HD2 LYS 20 far 0 89 0 - 4.4-9.7 HE ARG 19 - HG12 ILE 15 far 0 77 0 - 4.8-9.3 HE22 GLN 72 - HD3 LYS 68 far 0 29 0 - 4.9-7.6 HE ARG 19 - HD3 LYS 12 far 0 61 0 - 5.4-12.4 HE ARG 19 - HD2 LYS 12 far 0 61 0 - 6.1-11.8 HE ARG 46 - HD2 LYS 47 far 0 100 0 - 6.2-10.6 HZ2 TRP 92 - HB3 ARG 91 far 0 93 0 - 6.6-9.0 HE ARG 46 - HD3 LYS 47 far 0 100 0 - 6.6-10.8 HD22 ASN 26 - HD2 LYS 24 far 0 51 0 - 6.8-10.0 HD22 ASN 26 - HD3 LYS 24 far 0 50 0 - 7.4-11.0 HE22 GLN 72 - HD2 LYS 73 far 0 34 0 - 7.6-10.6 HE22 GLN 72 - HD3 LYS 73 far 0 32 0 - 8.1-10.6 HE ARG 46 - HD2 LYS 39 far 0 66 0 - 8.3-13.8 HE ARG 19 - HD2 LYS 13 far 0 42 0 - 8.7-15.1 HE ARG 46 - HD2 LYS 73 far 0 54 0 - 8.9-13.5 HE ARG 19 - HD3 LYS 24 far 0 42 0 - 9.3-15.3 H ARG 91 - HD2 LYS 20 far 0 99 0 - 9.3-13.4 HE ARG 46 - HD3 LYS 73 far 0 52 0 - 9.4-14.4 HZ2 TRP 92 - HD3 LYS 90 far 0 72 0 - 9.6-14.0 H ARG 91 - HD3 LYS 20 far 0 98 0 - 9.6-13.8 HE ARG 19 - HD2 LYS 24 far 0 43 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 2180 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.36 A): 8 out of 26 assignments used, quality = 1.00: * HA LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.1-5.5 5.1=100 HA LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.6-5.5 5.1=100 HA LYS 13 + HD2 LYS 13 OK 47 47 100 100 2.0-4.5 486/3.0=95, 5.5=94...(63) HA LYS 13 + HD3 LYS 13 OK 44 44 100 100 2.2-4.2 486/3.0=95, 5.5=94...(63) HA LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.0-4.8 5.1=100 HA LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.1-5.5 5.1=100 HA GLU 23 + HD2 LYS 24 OK 32 51 70 89 4.6-8.7 6377/6.3=50...(12) HA GLU 23 + HD3 LYS 24 OK 28 50 65 87 4.8-8.1 6377/6.3=50...(12) HA LYS 13 - HD3 LYS 12 far 7 69 10 - 5.5-7.9 HA LYS 13 - HD2 LYS 12 far 7 69 10 - 6.0-7.9 HA GLN 72 - HD2 LYS 68 far 2 46 5 - 5.4-10.5 HA LYS 13 - HD3 LYS 20 far 0 96 0 - 6.3-10.0 HA LYS 13 - HD2 LYS 20 far 0 97 0 - 6.4-9.1 HA GLN 72 - HD3 LYS 68 far 0 43 0 - 6.6-10.4 HA GLN 72 - HD2 LYS 73 far 0 51 0 - 6.7-8.3 HA GLN 72 - HD3 LYS 73 far 0 49 0 - 6.7-8.4 HA GLU 62 - HD3 LYS 68 far 0 36 0 - 6.9-11.4 HA GLU 62 - HD2 LYS 68 far 0 38 0 - 6.9-11.2 HA LYS 73 - HD2 LYS 39 far 0 46 0 - 6.9-10.5 HA GLU 23 - HD3 LYS 20 far 0 98 0 - 7.3-10.4 HA GLU 23 - HD2 LYS 20 far 0 99 0 - 7.6-10.4 HA LYS 13 - HG12 ILE 15 far 0 85 0 - 7.6-8.3 HB2 SER 59 - HG12 ILE 15 far 0 82 0 - 8.1-11.5 HA LYS 13 - HD3 LYS 90 far 0 79 0 - 8.3-13.5 HA LYS 73 - HD2 LYS 68 far 0 33 0 - 8.9-12.0 HA GLN 72 - HD2 LYS 39 far 0 63 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 2181 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.19 A): 13 out of 82 assignments used, quality = 1.00: HB2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.1-4.0 3.9=52, 2134/6774=16...(109) * HB2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.8 3.9=52, 2134/6774=17...(103) HB3 LYS 20 + HD3 LYS 20 OK 65 66 100 99 2.0-3.7 3.5=74, ~848=14...(71) HB3 LYS 20 + HD2 LYS 20 OK 60 67 90 99 2.0-4.2 3.5=74, ~848=14...(71) HB3 LYS 24 + HD2 LYS 24 OK 51 51 100 100 2.5-3.9 3.6=72, ~1096=15...(109) HB2 LYS 24 + HD2 LYS 24 OK 51 51 100 100 2.5-3.8 3.6=72, ~1096=15...(107) HB3 LYS 73 + HD2 LYS 73 OK 50 51 100 100 2.1-3.5 3.6=70, 3.0/3233=18...(122) HB2 LYS 73 + HD2 LYS 73 OK 49 51 95 100 2.3-4.2 3.6=70, 3.0/3233=18...(127) HB3 LYS 73 + HD3 LYS 73 OK 48 48 100 100 2.0-3.8 3.6=70, 3.0/3234=20...(122) HB2 LYS 24 + HD3 LYS 24 OK 44 50 90 100 2.4-4.2 3.6=72, ~1096=15...(109) HB3 GLU 44 + HD3 LYS 47 OK 41 73 65 85 3.0-7.9 10433=26, 3.0/12091=21...(17) HB2 LYS 73 + HD3 LYS 73 OK 39 49 80 100 2.8-4.2 3.6=70, 3.0/3234=20...(126) HB3 LYS 24 + HD3 LYS 24 OK 32 50 65 100 2.1-4.2 3.6=72, ~1096=15...(109) HB3 ARG 19 - HD2 LYS 20 poor 17 57 30 - 2.8-7.4 QE MET 74 - HD2 LYS 39 poor 16 40 40 - 2.6-4.9 HB2 GLU 17 - HD3 LYS 90 poor 15 61 25 - 2.0-6.2 HB3 ARG 19 - HD3 LYS 20 poor 14 56 25 - 2.9-8.1 HB3 GLU 17 - HD3 LYS 90 poor 11 44 25 - 3.3-7.0 HB3 GLU 44 - HD2 LYS 47 far 7 73 10 - 2.8-8.6 HB3 LYS 20 - HD3 LYS 24 far 1 28 5 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 78 0 - 4.3-8.7 HB2 GLU 44 - HD2 LYS 47 far 0 73 0 - 4.3-9.3 HB2 GLU 17 - HD2 LYS 20 far 0 80 0 - 4.3-8.1 HB3 LYS 73 - HD2 LYS 39 far 0 62 0 - 4.4-9.0 HB2 GLU 44 - HD3 LYS 47 far 0 73 0 - 4.5-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 63 0 - 4.5-8.8 QE MET 74 - HD2 LYS 73 far 0 32 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 53 0 - 4.6-9.0 HB3 GLU 17 - HD2 LYS 20 far 0 59 0 - 4.8-8.2 HB3 GLU 17 - HD3 LYS 20 far 0 58 0 - 5.0-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 29 0 - 5.0-8.4 QE MET 74 - HD3 LYS 73 far 0 30 0 - 5.1-9.2 HB3 ARG 46 - HD3 LYS 47 far 0 99 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 99 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 100 0 - 5.2-8.1 HB2 GLU 35 - HD2 LYS 39 far 0 32 0 - 5.2-9.7 HB3 GLU 17 - HD2 LYS 13 far 0 25 0 - 5.4-8.9 HB3 MET 74 - HD2 LYS 39 far 0 65 0 - 5.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 85 0 - 5.5-8.2 HB3 LYS 20 - HD3 LYS 90 far 0 51 0 - 5.5-10.1 HB2 ARG 46 - HD2 LYS 47 far 0 100 0 - 5.5-8.4 HB3 MET 74 - HD3 LYS 73 far 0 51 0 - 5.5-9.5 HB3 ARG 19 - HG12 ILE 15 far 0 47 0 - 5.6-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 35 0 - 5.9-9.8 HB2 LYS 24 - HD3 LYS 20 far 0 98 0 - 6.5-11.0 HB3 GLU 17 - HD3 LYS 13 far 0 23 0 - 6.5-10.0 HB2 GLU 35 - HD2 LYS 73 far 0 26 0 - 6.5-14.7 HB VAL 32 - HG12 ILE 15 far 0 65 0 - 6.6-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 33 0 - 6.9-10.7 HG3 GLU 88 - HD3 LYS 90 far 0 64 0 - 7.0-10.1 HB3 LYS 24 - HD3 LYS 20 far 0 98 0 - 7.1-11.4 HB3 ARG 19 - HD3 LYS 90 far 0 43 0 - 7.2-13.1 HB3 ARG 19 - HD2 LYS 12 far 0 36 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.4-10.9 HB2 GLU 35 - HD3 LYS 73 far 0 24 0 - 7.4-14.2 HB2 GLU 17 - HB3 ARG 91 far 0 82 0 - 7.5-10.8 HB2 LYS 24 - HD3 LYS 90 far 0 82 0 - 7.7-12.4 HB3 ARG 19 - HD2 LYS 24 far 0 24 0 - 7.7-12.8 HB3 ARG 19 - HD3 LYS 24 far 0 24 0 - 7.8-13.1 HB3 ARG 19 - HD3 LYS 12 far 0 36 0 - 7.8-12.1 HB3 GLU 17 - HG12 ILE 15 far 0 48 0 - 7.9-8.6 QE MET 74 - HD3 LYS 47 far 0 71 0 - 8.0-10.4 QE MET 74 - HD2 LYS 47 far 0 71 0 - 8.1-10.8 HB3 GLU 17 - HB3 ARG 91 far 0 61 0 - 8.1-10.8 HB3 LYS 20 - HD2 LYS 13 far 0 28 0 - 8.3-13.1 HB2 LYS 73 - HD2 LYS 68 far 0 46 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 26 0 - 8.5-13.4 HB2 GLU 37 - HD2 LYS 39 far 0 64 0 - 8.6-10.7 HB3 GLU 17 - HD2 LYS 12 far 0 37 0 - 8.9-13.1 HB2 GLU 17 - HD3 LYS 24 far 0 35 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 90 far 0 82 0 - 9.1-11.4 HB3 MET 74 - HD2 LYS 68 far 0 48 0 - 9.1-14.8 HB3 GLU 17 - HD3 LYS 12 far 0 37 0 - 9.2-13.0 HB3 ARG 46 - HD2 LYS 39 far 0 64 0 - 9.3-13.0 HB2 GLU 17 - HG12 ILE 15 far 0 67 0 - 9.3-10.2 HB3 ARG 19 - HD2 LYS 13 far 0 24 0 - 9.4-12.8 HB3 ARG 19 - HD3 LYS 13 far 0 22 0 - 9.6-13.3 HB2 ARG 46 - HD2 LYS 39 far 0 65 0 - 9.8-13.9 HB2 GLU 37 - HG12 ILE 15 far 0 86 0 - 9.9-10.7 HB3 MET 74 - HD3 LYS 68 far 0 45 0 - 9.9-15.5 HB2 LYS 73 - HD3 LYS 68 far 0 43 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.09 A): 16 out of 115 assignments used, quality = 1.00: * HB3 LYS 47 + HD2 LYS 47 OK 99 100 100 99 2.0-3.7 3.9=48, 2146/6774=16...(111) HB3 LYS 20 + HD3 LYS 20 OK 95 96 100 98 2.0-3.7 3.5=67, 871/6311=14...(65) HB3 LYS 20 + HD2 LYS 20 OK 86 97 90 98 2.0-4.2 3.5=67, 871/5.9=14...(65) HB3 LYS 47 + HD3 LYS 47 OK 75 100 75 99 2.3-4.2 3.9=48, 2146/6774=15...(114) HB2 LYS 20 + HD2 LYS 20 OK 57 65 90 98 2.4-4.1 3.5=67, ~848=13...(59) HB2 LYS 20 + HD3 LYS 20 OK 50 64 80 98 2.3-4.2 3.5=67, 1.8/2152=13...(59) HB2 LYS 13 + HD2 LYS 13 OK 49 49 100 99 2.4-3.7 3.6=64, 3.0/487=18...(85) HB3 LYS 13 + HD2 LYS 13 OK 48 48 100 99 2.0-3.8 3.6=64, 3.0/487=18...(83) HB3 LYS 13 + HD3 LYS 13 OK 44 45 100 99 2.4-3.7 3.6=64, 3.0/487=18...(83) HB2 LYS 13 + HD3 LYS 13 OK 36 45 80 99 2.4-4.2 3.6=64, 3.0/487=18...(85) HB3 LYS 73 + HD2 LYS 73 OK 33 33 100 99 2.1-3.5 3.6=64, 3.0/3233=17...(121) HB3 LYS 73 + HD3 LYS 73 OK 31 31 100 100 2.0-3.8 3.6=64, 3.0/3234=19...(120) HB2 LYS 73 + HD2 LYS 73 OK 29 32 90 100 2.3-4.2 3.6=64, 3.0/3233=17...(125) HB3 LYS 24 + HD2 LYS 24 OK 25 25 100 99 2.5-3.9 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD2 LYS 24 OK 25 25 100 99 2.5-3.8 3.6=65, ~1096=14...(107) HB2 LYS 73 + HD3 LYS 73 OK 24 30 80 100 2.8-4.2 3.6=64, 3.0/3234=19...(124) HB2 GLU 17 - HD3 LYS 90 poor 19 74 25 - 2.0-6.2 HB2 LYS 24 - HD3 LYS 24 poor 18 25 75 - 2.4-4.2 HB3 LYS 24 - HD3 LYS 24 poor 16 25 65 - 2.1-4.2 HB3 ARG 19 - HD3 LYS 20 far 15 98 15 - 2.9-8.1 HB2 ARG 19 - HD3 LYS 20 far 7 69 10 - 3.3-7.4 HB3 ARG 19 - HD2 LYS 20 poor 6 99 25 23 2.8-7.4 4.1/915=10, 798/5.3=8...(4) HB2 LYS 20 - HD3 LYS 24 far 4 28 15 - 2.9-7.7 HB2 ARG 19 - HD2 LYS 20 far 4 71 5 - 3.3-7.2 HB2 LYS 20 - HD2 LYS 24 far 1 28 5 - 3.7-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 48 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 91 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 93 0 - 4.3-8.1 HB3 LYS 73 - HD2 LYS 39 far 0 41 0 - 4.4-9.0 HB2 LYS 73 - HD2 LYS 39 far 0 40 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 27 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 49 0 - 5.0-8.4 HB3 LEU 14 - HG12 ILE 15 far 0 74 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 94 0 - 5.1-9.7 HB3 ARG 46 - HD3 LYS 47 far 0 67 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 68 0 - 5.2-8.3 HB2 GLU 43 - HD3 LYS 47 far 0 94 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 100 0 - 5.3-7.8 HB2 LYS 94 - HD3 LYS 90 far 0 83 0 - 5.4-10.9 HB3 MET 74 - HD2 LYS 39 far 0 34 0 - 5.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 93 0 - 5.5-8.2 HB3 LYS 20 - HD3 LYS 90 far 0 80 0 - 5.5-10.1 HB3 MET 74 - HD3 LYS 73 far 0 25 0 - 5.5-9.5 HB3 ARG 19 - HG12 ILE 15 far 0 88 0 - 5.6-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 44 0 - 5.9-9.8 HB2 ARG 19 - HG12 ILE 15 far 0 59 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 40 0 - 6.2-8.6 HB2 LYS 24 - HD3 LYS 20 far 0 58 0 - 6.5-11.0 HB3 LEU 14 - HD2 LYS 12 far 0 59 0 - 6.6-10.3 HB VAL 32 - HG12 ILE 15 far 0 81 0 - 6.6-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 37 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 41 0 - 6.9-10.7 HB2 ARG 19 - HD3 LYS 12 far 0 46 0 - 7.0-12.9 HG3 GLU 88 - HD3 LYS 90 far 0 72 0 - 7.0-10.1 HB2 LYS 20 - HD3 LYS 90 far 0 49 0 - 7.0-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 70 0 - 7.0-9.3 HB3 LYS 24 - HD3 LYS 20 far 0 58 0 - 7.1-11.4 HB3 ARG 19 - HD3 LYS 90 far 0 82 0 - 7.2-13.1 HB3 ARG 19 - HD2 LYS 12 far 0 71 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.2-11.4 HG LEU 42 - HD2 LYS 39 far 0 46 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 58 0 - 7.2-10.0 HB ILE 8 - HG12 ILE 15 far 0 64 0 - 7.3-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 70 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 59 0 - 7.3-9.8 HB3 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 95 0 - 7.5-10.8 HB3 LYS 13 - HD3 LYS 90 far 0 80 0 - 7.6-12.8 HB2 ARG 19 - HD2 LYS 24 far 0 31 0 - 7.6-12.3 HB2 LYS 24 - HD3 LYS 90 far 0 44 0 - 7.7-12.4 HB3 LEU 14 - HD3 LYS 90 far 0 68 0 - 7.7-12.0 HB3 ARG 19 - HD2 LYS 24 far 0 51 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 69 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 50 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 96 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 50 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 52 0 - 7.8-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 87 0 - 7.8-10.2 HB3 ARG 19 - HD3 LYS 12 far 0 71 0 - 7.8-12.1 HB3 LYS 33 - HG12 ILE 15 far 0 86 0 - 7.9-10.3 HB3 LYS 13 - HD2 LYS 20 far 0 97 0 - 7.9-10.9 HB2 ARG 19 - HD3 LYS 24 far 0 30 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 46 0 - 8.1-12.9 HB2 LYS 13 - HD3 LYS 90 far 0 81 0 - 8.1-14.5 HB3 LYS 13 - HD2 LYS 12 far 0 69 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 97 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 70 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 48 0 - 8.3-13.1 HB2 ARG 19 - HD3 LYS 90 far 0 54 0 - 8.3-13.2 HB2 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.4-9.6 HB2 LYS 73 - HD2 LYS 68 far 0 28 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 45 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 71 0 - 8.5-13.1 HG LEU 42 - HD3 LYS 73 far 0 35 0 - 8.6-13.4 HB2 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.6-11.8 HB3 LYS 13 - HG12 ILE 15 far 0 86 0 - 8.7-9.8 HB3 LYS 33 - HD3 LYS 12 far 0 70 0 - 8.9-13.0 HG LEU 42 - HD2 LYS 73 far 0 37 0 - 8.9-13.2 HB2 GLU 17 - HD3 LYS 24 far 0 44 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 90 far 0 44 0 - 9.1-11.4 HB3 MET 74 - HD2 LYS 68 far 0 23 0 - 9.1-14.8 HB2 LYS 33 - HD3 LYS 12 far 0 71 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 86 0 - 9.2-13.6 HB3 ARG 46 - HD2 LYS 39 far 0 37 0 - 9.3-13.0 HB2 GLU 17 - HG12 ILE 15 far 0 80 0 - 9.3-10.2 HB3 ARG 19 - HD2 LYS 13 far 0 50 0 - 9.4-12.8 HB VAL 54 - HD3 LYS 68 far 0 21 0 - 9.4-13.4 HB3 LEU 14 - HD2 LYS 20 far 0 87 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 30 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 25 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 27 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 46 0 - 9.6-13.3 HB2 GLU 43 - HD2 LYS 73 far 0 47 0 - 9.7-15.7 HB3 MET 74 - HD3 LYS 68 far 0 22 0 - 9.9-15.5 HB2 LYS 73 - HD3 LYS 68 far 0 27 0 - 9.9-12.1 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 90 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 93 100 100 93 2.2-3.0 3.0=55, 1.8/2175=12...(59) * HG2 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 20 + HD2 LYS 20 OK 57 67 100 86 2.2-2.9 2.8=62, 3.0/2152=5...(43) HG2 LYS 20 + HD3 LYS 20 OK 57 66 100 86 2.3-3.0 2.8=62, 3.0/2152=5...(44) HG2 LYS 73 + HD2 LYS 73 OK 49 54 100 91 2.2-3.0 3.0=56, 1.8/3278=9...(54) HG3 ARG 91 + HB3 ARG 91 OK 47 59 100 79 2.2-2.9 2.8=62, ~4016=12...(10) HG2 LYS 73 + HD3 LYS 73 OK 47 52 100 91 2.4-3.0 3.0=56, 1.8/3278=9...(52) HG3 LYS 13 + HD2 LYS 13 OK 44 49 100 88 2.4-3.0 3.0=56, 486/487=9...(31) HG3 LYS 13 + HD3 LYS 13 OK 41 46 100 88 2.2-3.0 3.0=56, 486/487=9...(31) HG3 LYS 24 + HD2 LYS 24 OK 40 45 100 90 2.4-3.0 3.0=56, 1096/4.9=11...(37) HG3 LYS 24 + HD3 LYS 24 OK 40 44 100 90 2.2-3.0 3.0=56, 1096/4.9=11...(40) HG LEU 64 - HD3 LYS 68 poor 14 43 55 58 2.0-6.0 ~12320=9, ~10264=9...(17) HG LEU 64 - HD2 LYS 68 poor 11 46 25 - 2.9-6.3 HG3 ARG 91 - HD3 LYS 90 poor 11 43 25 - 2.1-10.3 HB2 ARG 91 - HD3 LYS 90 poor 7 82 30 30 2.1-8.5 4025/7438=7, 3.0/4015=5...(9) HG2 LYS 73 - HD2 LYS 39 far 0 66 0 - 3.6-9.8 HB ILE 7 - HG12 ILE 15 far 0 60 0 - 4.4-6.2 HB3 LEU 64 - HD3 LYS 68 far 0 46 0 - 4.5-7.6 HB2 LEU 14 - HG12 ILE 15 far 0 60 0 - 5.1-7.4 HG2 LYS 20 - HD3 LYS 24 far 0 28 0 - 5.3-9.6 HG LEU 38 - HD2 LYS 39 far 0 41 0 - 5.4-9.3 HB2 LEU 14 - HD2 LYS 13 far 0 31 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 71 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 87 0 - 5.7-12.1 HB3 LEU 64 - HD2 LYS 68 far 0 48 0 - 5.8-8.2 HG2 LYS 20 - HD2 LYS 24 far 0 29 0 - 5.8-10.1 HG3 LYS 33 - HG12 ILE 15 far 0 83 0 - 5.9-7.7 HB2 LEU 38 - HD2 LYS 39 far 0 36 0 - 6.0-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 71 0 - 6.1-9.0 HG2 LYS 20 - HD3 LYS 90 far 0 51 0 - 6.1-12.4 HG LEU 2 - HD3 LYS 47 far 0 87 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 29 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 91 0 - 6.4-10.2 HG13 ILE 52 - HD2 LYS 47 far 0 70 0 - 6.8-11.5 HG3 LYS 24 - HD2 LYS 20 far 0 93 0 - 6.8-9.4 HG12 ILE 56 - HD3 LYS 68 far 0 21 0 - 6.9-11.4 HB2 LEU 14 - HD3 LYS 90 far 0 55 0 - 7.1-11.3 HG2 LYS 66 - HD2 LYS 68 far 0 48 0 - 7.2-10.3 HG2 LYS 66 - HD3 LYS 68 far 0 46 0 - 7.2-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 67 0 - 7.3-10.9 HG2 LYS 66 - HD2 LYS 73 far 0 54 0 - 7.4-12.7 HG LEU 57 - HD3 LYS 90 far 0 80 0 - 7.4-10.4 HG13 ILE 52 - HD3 LYS 47 far 0 69 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 52 0 - 7.6-12.9 HB2 LEU 14 - HD2 LYS 12 far 0 47 0 - 7.7-11.1 HB2 LEU 38 - HD3 LYS 73 far 0 27 0 - 7.7-14.9 HG LEU 57 - HB3 ARG 91 far 0 99 0 - 7.7-9.7 HG LEU 38 - HD3 LYS 73 far 0 31 0 - 7.8-15.0 HG3 LYS 24 - HD3 LYS 90 far 0 74 0 - 7.9-12.9 HG12 ILE 56 - HD2 LYS 68 far 0 22 0 - 7.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 67 0 - 7.9-12.0 HG3 LYS 66 - HD3 LYS 73 far 0 52 0 - 7.9-13.0 HG LEU 57 - HG12 ILE 15 far 0 86 0 - 8.0-10.7 HG LEU 38 - HD2 LYS 73 far 0 33 0 - 8.0-15.4 HG3 LYS 66 - HD2 LYS 39 far 0 66 0 - 8.0-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 98 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 47 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 54 0 - 8.3-12.9 HG2 LYS 66 - HD2 LYS 39 far 0 66 0 - 8.3-12.5 HD3 LYS 40 - HD2 LYS 39 far 0 49 0 - 8.4-12.1 HB ILE 7 - HD3 LYS 90 far 0 55 0 - 8.5-12.3 HD2 LYS 82 - HD3 LYS 68 far 0 28 0 - 8.6-12.3 HB2 LEU 27 - HD2 LYS 24 far 0 29 0 - 8.6-11.0 HG3 LYS 66 - HD3 LYS 68 far 0 46 0 - 8.6-12.0 HD2 LYS 40 - HD2 LYS 39 far 0 48 0 - 8.7-11.9 HG2 LYS 20 - HD3 LYS 13 far 0 26 0 - 8.7-13.0 HB2 LEU 38 - HD2 LYS 73 far 0 29 0 - 8.8-14.7 HG3 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.8-10.4 HG3 LYS 66 - HD2 LYS 68 far 0 48 0 - 8.8-11.4 HG LEU 38 - HD2 LYS 68 far 0 29 0 - 9.0-13.9 HG2 LYS 20 - HD3 LYS 12 far 0 43 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 28 0 - 9.1-12.9 HG LEU 38 - HD3 LYS 68 far 0 28 0 - 9.1-14.0 HB2 LEU 27 - HD3 LYS 24 far 0 28 0 - 9.1-10.4 HG2 LYS 73 - HD2 LYS 68 far 0 48 0 - 9.2-12.3 HB2 LEU 14 - HD3 LYS 20 far 0 71 0 - 9.4-13.1 HG2 LYS 20 - HD2 LYS 12 far 0 43 0 - 9.5-14.5 HG LEU 6 - HG12 ILE 15 far 0 55 0 - 9.6-11.7 HG3 ARG 30 - HG12 ILE 15 far 0 47 0 - 9.6-10.9 HB2 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 47 0 - 9.7-13.5 HG3 LYS 13 - HD3 LYS 90 far 0 82 0 - 9.7-15.3 HD2 LYS 82 - HD2 LYS 68 far 0 29 0 - 9.7-13.2 HG2 LYS 73 - HD3 LYS 68 far 0 46 0 - 9.7-13.1 HB2 LEU 27 - HD3 LYS 90 far 0 51 0 - 9.7-13.7 HG2 LYS 20 - HG12 ILE 15 far 0 55 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 73 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 59 0 - 10.0-17.2 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 82 assignments used, quality = 1.00: HG3 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.2-3.0 3.0=53, 2175/1.8=11...(65) * HG3 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=53, 2175/1.8=12...(58) HD3 LYS 39 + HD2 LYS 39 OK 57 57 100 100 1.8-1.8 1.8=100 HG3 LYS 12 + HD3 LYS 12 OK 47 51 100 92 2.5-3.0 3.0=52, 464/3.0=14...(41) HG3 LYS 12 + HD2 LYS 12 OK 47 51 100 91 2.2-3.0 3.0=52, 464/3.0=14...(41) HG3 LYS 90 + HD3 LYS 90 OK 37 44 100 84 2.3-2.9 2.9=54, 2.8/3942=13...(20) HG3 LYS 73 + HD2 LYS 73 OK 37 41 100 89 2.2-3.0 3.0=54, 7208/7210=8...(57) HG2 LYS 68 + HD2 LYS 68 OK 36 40 100 90 2.2-3.0 3.0=53, 1.8/3038=9...(45) HG3 LYS 73 + HD3 LYS 73 OK 35 39 100 88 2.2-3.0 3.0=54, 1.8/3267=8...(56) HG2 LYS 68 + HD3 LYS 68 OK 34 38 100 90 2.2-3.0 3.0=53, 1.8/3038=9...(45) 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 87 2.3-3.0 3.0=54, 1.8/1101=7...(47) HG2 LYS 24 + HD3 LYS 24 OK 23 27 100 88 2.4-3.0 3.0=54, 1.8/1101=7...(51) HG2 ARG 19 - HD2 LYS 20 far 3 61 5 - 3.1-9.1 HD2 LYS 39 - HD3 LYS 73 far 2 31 5 - 2.1-10.5 HD3 LYS 39 - HD3 LYS 73 far 0 44 0 - 3.6-10.3 HD2 LYS 39 - HD2 LYS 73 far 0 33 0 - 3.8-10.0 HG2 ARG 19 - HD3 LYS 20 far 0 60 0 - 3.9-9.2 HG3 LYS 73 - HD2 LYS 39 far 0 51 0 - 4.0-10.5 HD2 LYS 94 - HB3 ARG 91 far 0 100 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 87 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 61 0 - 4.5-7.6 HD3 LYS 94 - HD3 LYS 90 far 0 66 0 - 4.7-8.9 HD3 LYS 39 - HD2 LYS 73 far 0 46 0 - 4.9-10.8 HG3 LYS 12 - HG12 ILE 15 far 0 65 0 - 5.3-8.0 HG3 LYS 12 - HD2 LYS 13 far 0 34 0 - 5.3-9.2 HG2 ARG 19 - HG12 ILE 15 far 0 50 0 - 5.4-9.6 HG3 LYS 90 - HD3 LYS 20 far 0 58 0 - 5.5-10.4 HG3 LYS 12 - HD3 LYS 13 far 0 32 0 - 5.6-9.4 HB3 ARG 79 - HD3 LYS 68 far 0 28 0 - 5.7-10.8 HG3 LYS 90 - HD2 LYS 20 far 0 59 0 - 6.1-10.5 HB2 LYS 40 - HD2 LYS 39 far 0 51 0 - 6.2-9.0 HD2 LYS 94 - HD3 LYS 90 far 0 83 0 - 6.2-10.4 HD2 LYS 66 - HD3 LYS 73 far 0 42 0 - 6.2-13.3 HB2 ARG 79 - HD3 LYS 68 far 0 36 0 - 6.5-11.0 HD2 LYS 66 - HD2 LYS 73 far 0 44 0 - 6.6-14.4 HG2 LYS 24 - HD3 LYS 20 far 0 62 0 - 6.7-9.3 HD2 LYS 66 - HD2 LYS 68 far 0 39 0 - 7.2-12.1 HB3 ARG 79 - HD2 LYS 68 far 0 29 0 - 7.2-11.9 HG2 LYS 24 - HD2 LYS 20 far 0 63 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 81 0 - 7.2-11.0 HD2 LYS 66 - HD2 LYS 39 far 0 55 0 - 7.5-12.0 HB3 LEU 29 - HD3 LYS 20 far 0 80 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 39 0 - 7.6-11.8 HB ILE 76 - HD2 LYS 73 far 0 43 0 - 7.6-10.9 HG2 ARG 19 - HD2 LYS 12 far 0 39 0 - 7.6-11.3 HB2 ARG 79 - HD2 LYS 68 far 0 38 0 - 7.8-12.5 HG2 ARG 19 - HD3 LYS 24 far 0 26 0 - 8.0-13.8 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 8.1-9.6 HD3 LYS 94 - HD2 LYS 24 far 0 39 0 - 8.1-12.1 HB2 ARG 30 - HG12 ILE 15 far 0 78 0 - 8.1-8.9 HG2 LYS 24 - HD3 LYS 90 far 0 47 0 - 8.2-11.4 HB3 LEU 6 - HG12 ILE 15 far 0 68 0 - 8.3-10.7 HB ILE 76 - HD3 LYS 73 far 0 41 0 - 8.3-11.7 HG2 ARG 19 - HD2 LYS 24 far 0 26 0 - 8.4-13.7 HG3 LYS 73 - HD2 LYS 68 far 0 37 0 - 8.4-11.6 HB ILE 76 - HD2 LYS 39 far 0 53 0 - 8.5-11.6 HG3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.5-12.3 HG2 LYS 68 - HD2 LYS 73 far 0 45 0 - 8.6-12.4 HD2 LYS 66 - HD3 LYS 68 far 0 37 0 - 8.6-12.6 HG LEU 27 - HD2 LYS 24 far 0 39 0 - 8.6-10.7 HD2 LYS 94 - HD2 LYS 24 far 0 52 0 - 8.7-12.6 HG3 LYS 90 - HD2 LYS 13 far 0 25 0 - 8.8-13.3 HG2 ARG 19 - HD3 LYS 90 far 0 46 0 - 8.8-13.6 HG3 LYS 73 - HD3 LYS 68 far 0 35 0 - 8.8-11.7 HD2 LYS 94 - HD3 LYS 24 far 0 50 0 - 8.9-12.4 HB ILE 76 - HD2 LYS 68 far 0 38 0 - 8.9-14.6 HD3 LYS 94 - HD3 LYS 24 far 0 38 0 - 8.9-11.9 HG2 LYS 68 - HD3 LYS 73 far 0 43 0 - 9.0-12.9 HG LEU 27 - HD3 LYS 24 far 0 38 0 - 9.0-10.5 HB ILE 76 - HD3 LYS 68 far 0 36 0 - 9.1-14.3 HG3 LYS 90 - HD2 LYS 24 far 0 25 0 - 9.2-12.6 HD2 LYS 68 - HD2 LYS 73 far 0 35 0 - 9.3-13.7 HG2 ARG 19 - HD3 LYS 13 far 0 24 0 - 9.3-13.8 HB3 LEU 29 - HD3 LYS 90 far 0 63 0 - 9.4-13.6 HG2 ARG 19 - HD2 LYS 13 far 0 25 0 - 9.5-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 78 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 37 0 - 9.6-13.1 HD2 LYS 68 - HD3 LYS 73 far 0 33 0 - 9.6-13.9 HB3 LEU 29 - HD3 LYS 24 far 0 36 0 - 9.7-12.8 HG3 LYS 90 - HD3 LYS 13 far 0 23 0 - 10.0-13.8 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): 21 out of 77 assignments used, quality = 1.00: HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 70 70 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD2 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 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.4-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 45 45 100 100 2.2-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 44 44 100 100 2.4-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 44 44 100 100 2.4-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 44 44 100 100 2.3-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 43 43 100 100 2.3-3.0 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 42 42 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.2-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 8 52 15 - 2.5-10.1 HG2 MET 21 - HD3 LYS 90 far 8 51 15 - 2.5-6.2 HE3 LYS 90 - HB3 ARG 91 far 6 61 10 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 5 46 10 - 4.0-10.2 HB2 SER 9 - HG12 ILE 15 far 4 80 5 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 58 0 - 4.5-12.2 HE2 LYS 12 - HG12 ILE 15 far 0 57 0 - 4.5-8.9 HE3 LYS 12 - HD3 LYS 13 far 0 45 0 - 4.6-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 29 0 - 4.7-11.5 HE3 LYS 24 - HD3 LYS 20 far 0 95 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 65 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 42 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 27 0 - 5.3-11.7 HE3 LYS 12 - HD2 LYS 13 far 0 48 0 - 5.4-12.0 HE3 LYS 12 - HG12 ILE 15 far 0 86 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 66 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 61 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 61 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 95 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 28 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 66 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 65 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 66 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 94 0 - 6.6-14.0 HB3 ASP 11 - HG12 ILE 15 far 0 77 0 - 6.7-7.9 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.7-13.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 6.9-9.4 HG2 MET 21 - HD2 LYS 24 far 0 29 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 7.0-11.4 HE3 LYS 90 - HD3 LYS 13 far 0 23 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.3 HE2 LYS 12 - HD3 LYS 20 far 0 68 0 - 7.8-13.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 48 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 97 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.2-15.0 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 8.4-13.8 HB2 SER 9 - HD3 LYS 13 far 0 41 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.6-13.4 HB2 SER 9 - HD2 LYS 13 far 0 44 0 - 8.9-12.0 HE2 LYS 13 - HD3 LYS 90 far 0 77 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 78 0 - 9.0-13.9 HB3 ASP 11 - HD3 LYS 90 far 0 71 0 - 9.5-14.3 HE3 LYS 90 - HD2 LYS 24 far 0 25 0 - 9.7-13.7 HE3 LYS 73 - HD2 LYS 68 far 0 33 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 21 out of 77 assignments used, quality = 1.00: * HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 70 70 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD2 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 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.4-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 45 45 100 100 2.2-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 44 44 100 100 2.4-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 44 44 100 100 2.4-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 44 44 100 100 2.3-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 43 43 100 100 2.3-3.0 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 42 42 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.2-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 8 52 15 - 2.5-10.1 HG2 MET 21 - HD3 LYS 90 far 8 51 15 - 2.5-6.2 HE3 LYS 90 - HB3 ARG 91 far 6 61 10 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 5 46 10 - 4.0-10.2 HB2 SER 9 - HG12 ILE 15 far 4 80 5 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 58 0 - 4.5-12.2 HE2 LYS 12 - HG12 ILE 15 far 0 57 0 - 4.5-8.9 HE3 LYS 12 - HD3 LYS 13 far 0 45 0 - 4.6-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 29 0 - 4.7-11.5 HE3 LYS 24 - HD3 LYS 20 far 0 95 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 65 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 42 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 27 0 - 5.3-11.7 HE3 LYS 12 - HD2 LYS 13 far 0 48 0 - 5.4-12.0 HE3 LYS 12 - HG12 ILE 15 far 0 86 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 66 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 61 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 61 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 95 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 28 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 66 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 65 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 66 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 94 0 - 6.6-14.0 HB3 ASP 11 - HG12 ILE 15 far 0 77 0 - 6.7-7.9 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.7-13.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 6.9-9.4 HG2 MET 21 - HD2 LYS 24 far 0 29 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 7.0-11.4 HE3 LYS 90 - HD3 LYS 13 far 0 23 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.3 HE2 LYS 12 - HD3 LYS 20 far 0 68 0 - 7.8-13.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 48 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 97 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.2-15.0 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 8.4-13.8 HB2 SER 9 - HD3 LYS 13 far 0 41 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.6-13.4 HB2 SER 9 - HD2 LYS 13 far 0 44 0 - 8.9-12.0 HE2 LYS 13 - HD3 LYS 90 far 0 77 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 78 0 - 9.0-13.9 HB3 ASP 11 - HD3 LYS 90 far 0 71 0 - 9.5-14.3 HE3 LYS 90 - HD2 LYS 24 far 0 25 0 - 9.7-13.7 HE3 LYS 73 - HD2 LYS 68 far 0 33 0 - 9.8-14.9 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 14 assignments used, quality = 1.00: * H GLU 48 + HD2 LYS 47 OK 100 100 100 100 4.1-6.3 6783/3.9=91, 2144/3.9=91...(13) H GLU 48 + HD3 LYS 47 OK 100 100 100 100 4.1-6.5 6783/3.9=91, 2144/3.9=91...(14) H GLU 44 + HD3 LYS 47 OK 73 97 75 100 4.7-8.1 ~12088=61, ~12089=59...(17) H LYS 40 + HD2 LYS 39 OK 58 58 100 100 4.8-6.7 6621/3.6=89, 6620/3.6=88...(10) H GLU 44 + HD2 LYS 47 OK 44 97 45 100 5.0-8.5 ~12088=61, ~12089=59...(15) HD22 ASN 10 - HD3 LYS 12 poor 14 69 20 - 4.6-10.6 HD22 ASN 10 - HD2 LYS 12 poor 14 69 20 - 4.9-11.2 HD22 ASN 10 - HG12 ILE 15 far 0 86 0 - 7.6-10.7 HE22 GLN 50 - HD2 LYS 47 far 0 99 0 - 8.1-14.3 H LYS 40 - HD3 LYS 73 far 0 45 0 - 8.3-15.1 HE22 GLN 50 - HD3 LYS 47 far 0 99 0 - 8.4-15.1 H GLU 44 - HD2 LYS 39 far 0 61 0 - 8.6-11.3 HD22 ASN 10 - HD3 LYS 13 far 0 45 0 - 8.9-15.2 HD22 ASN 10 - HD2 LYS 13 far 0 48 0 - 9.4-14.5 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 26 assignments used, quality = 1.00: H ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.2-3.6 7443=69, 4025/1.8=64...(20) H LYS 47 + HD2 LYS 47 OK 65 100 65 99 3.4-4.7 6773/3.0=54, 6772/3.0=47...(33) * H LYS 47 + HD3 LYS 47 OK 60 100 60 100 3.2-4.9 6773/3.0=54, 6772/3.0=47...(40) H ARG 91 + HD3 LYS 90 OK 58 84 70 98 2.1-5.8 7437/1.8=60, 7435/2.9=39...(23) HE ARG 19 - HD3 LYS 20 far 4 87 5 - 3.0-10.7 HE22 GLN 72 - HD2 LYS 68 far 3 29 10 - 3.6-7.8 HE ARG 19 - HD2 LYS 20 far 0 89 0 - 4.4-9.7 HE ARG 19 - HG12 ILE 15 far 0 78 0 - 4.8-9.3 HE ARG 19 - HD3 LYS 12 far 0 63 0 - 5.4-12.4 HE ARG 19 - HD2 LYS 12 far 0 63 0 - 6.1-11.8 HE ARG 46 - HD2 LYS 47 far 0 100 0 - 6.2-10.6 HZ2 TRP 92 - HB3 ARG 91 far 0 93 0 - 6.6-9.0 HE ARG 46 - HD3 LYS 47 far 0 100 0 - 6.6-10.8 HD22 ASN 26 - HD2 LYS 24 far 0 53 0 - 6.8-10.0 HD22 ASN 26 - HD3 LYS 24 far 0 51 0 - 7.4-11.0 HE22 GLN 72 - HD2 LYS 73 far 0 33 0 - 7.6-10.6 HE22 GLN 72 - HD3 LYS 73 far 0 31 0 - 8.1-10.6 HE ARG 46 - HD2 LYS 39 far 0 64 0 - 8.3-13.8 HE ARG 19 - HD2 LYS 13 far 0 43 0 - 8.7-15.1 HE ARG 46 - HD2 LYS 73 far 0 53 0 - 8.9-13.5 HE ARG 19 - HD3 LYS 24 far 0 43 0 - 9.3-15.3 H ARG 91 - HD2 LYS 20 far 0 99 0 - 9.3-13.4 HE ARG 46 - HD3 LYS 73 far 0 50 0 - 9.4-14.4 HZ2 TRP 92 - HD3 LYS 90 far 0 74 0 - 9.6-14.0 H ARG 91 - HD3 LYS 20 far 0 98 0 - 9.6-13.8 HE ARG 19 - HD2 LYS 24 far 0 44 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.36 A): 8 out of 24 assignments used, quality = 1.00: HA LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.1-5.5 5.1=100 * HA LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.6-5.5 5.1=100 HA LYS 13 + HD2 LYS 13 OK 49 49 100 100 2.0-4.5 486/3.0=95, 5.5=94...(63) HA LYS 13 + HD3 LYS 13 OK 46 46 100 100 2.2-4.2 486/3.0=95, 5.5=94...(63) HA LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.0-4.8 5.1=100 HA LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.1-5.5 5.1=100 HA GLU 23 + HD2 LYS 24 OK 33 53 70 89 4.6-8.7 6377/6.3=50...(12) HA GLU 23 + HD3 LYS 24 OK 29 51 65 87 4.8-8.1 6377/6.3=50...(12) HA LYS 13 - HD3 LYS 12 far 7 71 10 - 5.5-7.9 HA LYS 13 - HD2 LYS 12 far 7 71 10 - 6.0-7.9 HA GLN 72 - HD2 LYS 68 far 2 43 5 - 5.4-10.5 HA LYS 13 - HD3 LYS 20 far 0 95 0 - 6.3-10.0 HA LYS 13 - HD2 LYS 20 far 0 96 0 - 6.4-9.1 HA GLN 72 - HD2 LYS 73 far 0 50 0 - 6.7-8.3 HA GLN 72 - HD3 LYS 73 far 0 48 0 - 6.7-8.4 HA GLU 62 - HD2 LYS 68 far 0 36 0 - 6.9-11.2 HA LYS 73 - HD2 LYS 39 far 0 44 0 - 6.9-10.5 HA GLU 23 - HD3 LYS 20 far 0 98 0 - 7.3-10.4 HA GLU 23 - HD2 LYS 20 far 0 99 0 - 7.6-10.4 HA LYS 13 - HG12 ILE 15 far 0 86 0 - 7.6-8.3 HB2 SER 59 - HG12 ILE 15 far 0 83 0 - 8.1-11.5 HA LYS 13 - HD3 LYS 90 far 0 81 0 - 8.3-13.5 HA LYS 73 - HD2 LYS 68 far 0 31 0 - 8.9-12.0 HA GLN 72 - HD2 LYS 39 far 0 60 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 2192 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.19 A): 13 out of 80 assignments used, quality = 1.00: * HB2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.1-4.0 3.9=52, 2134/6775=16...(109) HB2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.8 3.9=52, 2134/6775=17...(103) HB3 LYS 20 + HD3 LYS 20 OK 64 65 100 99 2.0-3.7 3.5=74, ~848=14...(71) HB3 LYS 20 + HD2 LYS 20 OK 59 67 90 99 2.0-4.2 3.5=74, ~848=14, ~883=10...(71) HB3 LYS 24 + HD2 LYS 24 OK 52 52 100 100 2.5-3.9 3.6=72, ~1096=15...(109) HB2 LYS 24 + HD2 LYS 24 OK 52 52 100 100 2.5-3.8 3.6=72, ~1096=15...(107) HB3 LYS 73 + HD2 LYS 73 OK 49 50 100 100 2.1-3.5 3.6=70, 3.0/3233=18...(122) HB2 LYS 73 + HD2 LYS 73 OK 47 50 95 100 2.3-4.2 3.6=70, 3.0/3233=18...(127) HB3 LYS 73 + HD3 LYS 73 OK 47 47 100 100 2.0-3.8 3.6=70, 3.0/3234=20...(122) HB2 LYS 24 + HD3 LYS 24 OK 46 51 90 100 2.4-4.2 3.6=72, ~1096=15...(109) HB3 GLU 44 + HD3 LYS 47 OK 41 73 65 85 3.0-7.9 10433=26, 3.0/12091=21...(17) HB2 LYS 73 + HD3 LYS 73 OK 38 48 80 100 2.8-4.2 3.6=70, 3.0/3234=20...(126) HB3 LYS 24 + HD3 LYS 24 OK 33 51 65 100 2.1-4.2 3.6=72, ~1096=15...(109) HB3 ARG 19 - HD2 LYS 20 poor 17 57 30 - 2.8-7.4 HB2 GLU 17 - HD3 LYS 90 poor 16 63 25 - 2.0-6.2 QE MET 74 - HD2 LYS 39 poor 15 38 40 - 2.6-4.9 HB3 ARG 19 - HD3 LYS 20 poor 14 55 25 - 2.9-8.1 HB3 GLU 17 - HD3 LYS 90 poor 11 45 25 - 3.3-7.0 HB3 GLU 44 - HD2 LYS 47 far 7 73 10 - 2.8-8.6 HB3 LYS 20 - HD3 LYS 24 far 1 29 5 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 78 0 - 4.3-8.7 HB2 GLU 44 - HD2 LYS 47 far 0 73 0 - 4.3-9.3 HB2 GLU 17 - HD2 LYS 20 far 0 79 0 - 4.3-8.1 HB3 LYS 73 - HD2 LYS 39 far 0 60 0 - 4.4-9.0 HB2 GLU 44 - HD3 LYS 47 far 0 73 0 - 4.5-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 60 0 - 4.5-8.8 QE MET 74 - HD2 LYS 73 far 0 31 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 52 0 - 4.6-9.0 HB3 GLU 17 - HD2 LYS 20 far 0 59 0 - 4.8-8.2 HB3 GLU 17 - HD3 LYS 20 far 0 57 0 - 5.0-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 30 0 - 5.0-8.4 QE MET 74 - HD3 LYS 73 far 0 29 0 - 5.1-9.2 HB3 ARG 46 - HD3 LYS 47 far 0 99 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 99 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 100 0 - 5.2-8.1 HB2 GLU 35 - HD2 LYS 39 far 0 31 0 - 5.2-9.7 HB3 GLU 17 - HD2 LYS 13 far 0 25 0 - 5.4-8.9 HB3 MET 74 - HD2 LYS 39 far 0 63 0 - 5.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 85 0 - 5.5-8.2 HB3 LYS 20 - HD3 LYS 90 far 0 52 0 - 5.5-10.1 HB2 ARG 46 - HD2 LYS 47 far 0 100 0 - 5.5-8.4 HB3 MET 74 - HD3 LYS 73 far 0 50 0 - 5.5-9.5 HB3 ARG 19 - HG12 ILE 15 far 0 48 0 - 5.6-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 37 0 - 5.9-9.8 HB2 LYS 24 - HD3 LYS 20 far 0 97 0 - 6.5-11.0 HB3 GLU 17 - HD3 LYS 13 far 0 24 0 - 6.5-10.0 HB2 GLU 35 - HD2 LYS 73 far 0 25 0 - 6.5-14.7 HB VAL 32 - HG12 ILE 15 far 0 67 0 - 6.6-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 34 0 - 6.9-10.7 HG3 GLU 88 - HD3 LYS 90 far 0 66 0 - 7.0-10.1 HB3 LYS 24 - HD3 LYS 20 far 0 97 0 - 7.1-11.4 HB3 ARG 19 - HD3 LYS 90 far 0 44 0 - 7.2-13.1 HB3 ARG 19 - HD2 LYS 12 far 0 37 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.4-10.9 HB2 GLU 35 - HD3 LYS 73 far 0 24 0 - 7.4-14.2 HB2 GLU 17 - HB3 ARG 91 far 0 82 0 - 7.5-10.8 HB2 LYS 24 - HD3 LYS 90 far 0 83 0 - 7.7-12.4 HB3 ARG 19 - HD2 LYS 24 far 0 25 0 - 7.7-12.8 HB3 ARG 19 - HD3 LYS 24 far 0 24 0 - 7.8-13.1 HB3 ARG 19 - HD3 LYS 12 far 0 37 0 - 7.8-12.1 HB3 GLU 17 - HG12 ILE 15 far 0 49 0 - 7.9-8.6 QE MET 74 - HD3 LYS 47 far 0 71 0 - 8.0-10.4 QE MET 74 - HD2 LYS 47 far 0 71 0 - 8.1-10.8 HB3 GLU 17 - HB3 ARG 91 far 0 61 0 - 8.1-10.8 HB3 LYS 20 - HD2 LYS 13 far 0 29 0 - 8.3-13.1 HB2 LYS 73 - HD2 LYS 68 far 0 43 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 27 0 - 8.5-13.4 HB2 GLU 37 - HD2 LYS 39 far 0 61 0 - 8.6-10.7 HB3 GLU 17 - HD2 LYS 12 far 0 38 0 - 8.9-13.1 HB2 GLU 17 - HD3 LYS 24 far 0 36 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 90 far 0 83 0 - 9.1-11.4 HB3 MET 74 - HD2 LYS 68 far 0 45 0 - 9.1-14.8 HB3 GLU 17 - HD3 LYS 12 far 0 38 0 - 9.2-13.0 HB3 ARG 46 - HD2 LYS 39 far 0 61 0 - 9.3-13.0 HB2 GLU 17 - HG12 ILE 15 far 0 68 0 - 9.3-10.2 HB3 ARG 19 - HD2 LYS 13 far 0 24 0 - 9.4-12.8 HB3 ARG 19 - HD3 LYS 13 far 0 23 0 - 9.6-13.3 HB2 ARG 46 - HD2 LYS 39 far 0 63 0 - 9.8-13.9 HB2 GLU 37 - HG12 ILE 15 far 0 87 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.09 A): 16 out of 112 assignments used, quality = 1.00: HB3 LYS 47 + HD2 LYS 47 OK 99 100 100 99 2.0-3.7 3.9=48, 2146/6775=16...(111) HB3 LYS 20 + HD3 LYS 20 OK 94 96 100 98 2.0-3.7 3.5=67, 871/6311=14...(65) HB3 LYS 20 + HD2 LYS 20 OK 86 97 90 98 2.0-4.2 3.5=67, 871/5.9=14...(65) * HB3 LYS 47 + HD3 LYS 47 OK 75 100 75 99 2.3-4.2 3.9=48, 2146/6775=15...(114) HB2 LYS 20 + HD2 LYS 20 OK 57 65 90 98 2.4-4.1 3.5=67, ~848=13...(59) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.4-3.7 3.6=64, 3.0/487=18...(85) HB2 LYS 20 + HD3 LYS 20 OK 49 63 80 98 2.3-4.2 3.5=67, 1.8/2152=13...(59) HB3 LYS 13 + HD2 LYS 13 OK 49 50 100 99 2.0-3.8 3.6=64, 3.0/487=18...(83) HB3 LYS 13 + HD3 LYS 13 OK 46 46 100 99 2.4-3.7 3.6=64, 3.0/487=18...(83) HB2 LYS 13 + HD3 LYS 13 OK 38 47 80 99 2.4-4.2 3.6=64, 3.0/487=18...(85) HB3 LYS 73 + HD2 LYS 73 OK 32 32 100 99 2.1-3.5 3.6=64, 3.0/3233=17...(121) HB3 LYS 73 + HD3 LYS 73 OK 30 30 100 100 2.0-3.8 3.6=64, 3.0/3234=19...(120) HB2 LYS 73 + HD2 LYS 73 OK 28 31 90 100 2.3-4.2 3.6=64, 3.0/3233=17...(125) HB3 LYS 24 + HD2 LYS 24 OK 26 26 100 99 2.5-3.9 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD2 LYS 24 OK 26 26 100 99 2.5-3.8 3.6=65, ~1096=14...(107) HB2 LYS 73 + HD3 LYS 73 OK 24 29 80 100 2.8-4.2 3.6=64, 3.0/3234=19...(124) HB2 LYS 24 - HD3 LYS 24 poor 19 25 75 - 2.4-4.2 HB2 GLU 17 - HD3 LYS 90 poor 19 76 25 - 2.0-6.2 HB3 LYS 24 - HD3 LYS 24 poor 16 25 65 - 2.1-4.2 HB3 ARG 19 - HD3 LYS 20 far 15 97 15 - 2.9-8.1 HB2 ARG 19 - HD3 LYS 20 far 7 69 10 - 3.3-7.4 HB3 ARG 19 - HD2 LYS 20 poor 6 98 25 23 2.8-7.4 4.1/904=10, 798/5.3=8...(4) HB2 LYS 20 - HD3 LYS 24 far 4 28 15 - 2.9-7.7 HB2 ARG 19 - HD2 LYS 20 far 4 70 5 - 3.3-7.2 HB2 LYS 20 - HD2 LYS 24 far 1 29 5 - 3.7-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 49 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 91 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 92 0 - 4.3-8.1 HB3 LYS 73 - HD2 LYS 39 far 0 39 0 - 4.4-9.0 HB2 LYS 73 - HD2 LYS 39 far 0 38 0 - 4.5-8.8 HB3 MET 74 - HD2 LYS 73 far 0 26 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 51 0 - 5.0-8.4 HB3 LEU 14 - HG12 ILE 15 far 0 75 0 - 5.1-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 94 0 - 5.1-9.7 HB3 ARG 46 - HD3 LYS 47 far 0 68 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 67 0 - 5.2-8.3 HB2 GLU 43 - HD3 LYS 47 far 0 94 0 - 5.3-9.1 HB2 LYS 94 - HB3 ARG 91 far 0 100 0 - 5.3-7.8 HB2 LYS 94 - HD3 LYS 90 far 0 84 0 - 5.4-10.9 HB3 MET 74 - HD2 LYS 39 far 0 32 0 - 5.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 93 0 - 5.5-8.2 HB3 LYS 20 - HD3 LYS 90 far 0 81 0 - 5.5-10.1 HB3 MET 74 - HD3 LYS 73 far 0 25 0 - 5.5-9.5 HB3 ARG 19 - HG12 ILE 15 far 0 89 0 - 5.6-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 45 0 - 5.9-9.8 HB2 ARG 19 - HG12 ILE 15 far 0 60 0 - 6.0-8.9 HB3 LEU 14 - HD2 LYS 13 far 0 41 0 - 6.2-8.6 HB2 LYS 24 - HD3 LYS 20 far 0 57 0 - 6.5-11.0 HB3 LEU 14 - HD2 LYS 12 far 0 60 0 - 6.6-10.3 HB VAL 32 - HG12 ILE 15 far 0 82 0 - 6.6-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 38 0 - 6.7-8.7 HB2 GLU 17 - HD3 LYS 13 far 0 42 0 - 6.9-10.7 HB2 ARG 19 - HD3 LYS 12 far 0 47 0 - 7.0-12.9 HG3 GLU 88 - HD3 LYS 90 far 0 74 0 - 7.0-10.1 HB2 LYS 20 - HD3 LYS 90 far 0 50 0 - 7.0-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 72 0 - 7.0-9.3 HB3 LYS 24 - HD3 LYS 20 far 0 57 0 - 7.1-11.4 HB3 ARG 19 - HD3 LYS 90 far 0 84 0 - 7.2-13.1 HB3 ARG 19 - HD2 LYS 12 far 0 74 0 - 7.2-12.3 HB2 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.2-11.4 HG LEU 42 - HD2 LYS 39 far 0 44 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 55 0 - 7.2-10.0 HB ILE 8 - HG12 ILE 15 far 0 65 0 - 7.3-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 72 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 12 far 0 60 0 - 7.3-9.8 HB3 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 95 0 - 7.5-10.8 HB3 LYS 13 - HD3 LYS 90 far 0 81 0 - 7.6-12.8 HB2 ARG 19 - HD2 LYS 24 far 0 32 0 - 7.6-12.3 HB2 LYS 24 - HD3 LYS 90 far 0 45 0 - 7.7-12.4 HB3 LEU 14 - HD3 LYS 90 far 0 70 0 - 7.7-12.0 HB3 ARG 19 - HD2 LYS 24 far 0 52 0 - 7.7-12.8 HB3 LYS 13 - HD3 LYS 12 far 0 71 0 - 7.7-9.8 HB2 LYS 94 - HD3 LYS 24 far 0 52 0 - 7.7-10.1 HB3 LYS 13 - HD3 LYS 20 far 0 96 0 - 7.8-11.6 HB3 ARG 19 - HD3 LYS 24 far 0 51 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 53 0 - 7.8-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 88 0 - 7.8-10.2 HB3 ARG 19 - HD3 LYS 12 far 0 74 0 - 7.8-12.1 HB3 LYS 33 - HG12 ILE 15 far 0 87 0 - 7.9-10.3 HB3 LYS 13 - HD2 LYS 20 far 0 97 0 - 7.9-10.9 HB2 ARG 19 - HD3 LYS 24 far 0 31 0 - 8.1-12.3 HB2 ARG 19 - HD2 LYS 12 far 0 47 0 - 8.1-12.9 HB2 LYS 13 - HD3 LYS 90 far 0 83 0 - 8.1-14.5 HB3 LYS 13 - HD2 LYS 12 far 0 71 0 - 8.2-9.9 HB2 LYS 13 - HD3 LYS 20 far 0 96 0 - 8.2-12.7 HB3 LYS 33 - HD2 LYS 12 far 0 72 0 - 8.3-13.6 HB3 LYS 20 - HD2 LYS 13 far 0 50 0 - 8.3-13.1 HB2 ARG 19 - HD3 LYS 90 far 0 55 0 - 8.3-13.2 HB2 LYS 13 - HG12 ILE 15 far 0 88 0 - 8.4-9.6 HB2 LYS 73 - HD2 LYS 68 far 0 27 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 46 0 - 8.5-13.4 HB2 LYS 33 - HD2 LYS 12 far 0 73 0 - 8.5-13.1 HG LEU 42 - HD3 LYS 73 far 0 34 0 - 8.6-13.4 HB2 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.6-11.8 HB3 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.7-9.8 HB3 LYS 33 - HD3 LYS 12 far 0 72 0 - 8.9-13.0 HG LEU 42 - HD2 LYS 73 far 0 36 0 - 8.9-13.2 HB2 GLU 17 - HD3 LYS 24 far 0 45 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 90 far 0 45 0 - 9.1-11.4 HB3 MET 74 - HD2 LYS 68 far 0 22 0 - 9.1-14.8 HB2 LYS 33 - HD3 LYS 12 far 0 73 0 - 9.1-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 85 0 - 9.2-13.6 HB3 ARG 46 - HD2 LYS 39 far 0 36 0 - 9.3-13.0 HB2 GLU 17 - HG12 ILE 15 far 0 81 0 - 9.3-10.2 HB3 ARG 19 - HD2 LYS 13 far 0 51 0 - 9.4-12.8 HB3 LEU 14 - HD2 LYS 20 far 0 87 0 - 9.4-12.5 HB2 ARG 19 - HD2 LYS 13 far 0 32 0 - 9.5-14.4 HB2 LYS 20 - HD3 LYS 13 far 0 26 0 - 9.5-14.4 HB2 LYS 20 - HD2 LYS 13 far 0 28 0 - 9.6-14.1 HB3 ARG 19 - HD3 LYS 13 far 0 48 0 - 9.6-13.3 HB2 GLU 43 - HD2 LYS 73 far 0 45 0 - 9.7-15.7 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 82 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 93 100 100 93 2.2-3.0 3.0=55, 1.8/2175=12...(59) HG2 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 20 + HD2 LYS 20 OK 57 67 100 86 2.2-2.9 2.8=62, 3.0/2152=5...(43) HG2 LYS 20 + HD3 LYS 20 OK 56 65 100 86 2.3-3.0 2.8=62, 3.0/2152=5...(44) HG2 LYS 73 + HD2 LYS 73 OK 48 53 100 91 2.2-3.0 3.0=56, 1.8/3278=9...(54) HG3 ARG 91 + HB3 ARG 91 OK 47 59 100 79 2.2-2.9 2.8=62, ~4016=12...(10) HG2 LYS 73 + HD3 LYS 73 OK 46 50 100 91 2.4-3.0 3.0=56, 1.8/3278=9...(53) HG3 LYS 13 + HD2 LYS 13 OK 45 51 100 88 2.4-3.0 3.0=56, 486/487=9...(31) HG3 LYS 13 + HD3 LYS 13 OK 42 48 100 88 2.2-3.0 3.0=56, 486/487=9...(31) HG3 LYS 24 + HD2 LYS 24 OK 41 46 100 90 2.4-3.0 3.0=56, 1096/4.9=11...(37) HG3 LYS 24 + HD3 LYS 24 OK 41 45 100 90 2.2-3.0 3.0=56, 1096/4.9=11...(40) HG3 ARG 91 - HD3 LYS 90 poor 11 44 25 - 2.1-10.3 HG LEU 64 - HD2 LYS 68 poor 11 43 25 - 2.9-6.3 HB2 ARG 91 - HD3 LYS 90 poor 8 84 30 30 2.1-8.5 4025/7438=7, 3.0/4015=5...(9) HG2 LYS 73 - HD2 LYS 39 far 0 64 0 - 3.6-9.8 HB ILE 7 - HG12 ILE 15 far 0 62 0 - 4.4-6.2 HB2 LEU 14 - HG12 ILE 15 far 0 62 0 - 5.1-7.4 HG2 LYS 20 - HD3 LYS 24 far 0 29 0 - 5.3-9.6 HG LEU 38 - HD2 LYS 39 far 0 39 0 - 5.4-9.3 HB2 LEU 14 - HD2 LYS 13 far 0 33 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 73 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 87 0 - 5.7-12.1 HB3 LEU 64 - HD2 LYS 68 far 0 46 0 - 5.8-8.2 HG2 LYS 20 - HD2 LYS 24 far 0 30 0 - 5.8-10.1 HG3 LYS 33 - HG12 ILE 15 far 0 85 0 - 5.9-7.7 HB2 LEU 38 - HD2 LYS 39 far 0 34 0 - 6.0-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 73 0 - 6.1-9.0 HG2 LYS 20 - HD3 LYS 90 far 0 52 0 - 6.1-12.4 HG LEU 2 - HD3 LYS 47 far 0 87 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 30 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 91 0 - 6.4-10.2 HG13 ILE 52 - HD2 LYS 47 far 0 69 0 - 6.8-11.5 HG3 LYS 24 - HD2 LYS 20 far 0 92 0 - 6.8-9.4 HB2 LEU 14 - HD3 LYS 90 far 0 57 0 - 7.1-11.3 HG2 LYS 66 - HD2 LYS 68 far 0 46 0 - 7.2-10.3 HG3 LYS 33 - HD2 LYS 12 far 0 69 0 - 7.3-10.9 HG2 LYS 66 - HD2 LYS 73 far 0 53 0 - 7.4-12.7 HG LEU 57 - HD3 LYS 90 far 0 81 0 - 7.4-10.4 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 50 0 - 7.6-12.9 HB2 LEU 14 - HD2 LYS 12 far 0 49 0 - 7.7-11.1 HB2 LEU 38 - HD3 LYS 73 far 0 27 0 - 7.7-14.9 HG LEU 57 - HB3 ARG 91 far 0 99 0 - 7.7-9.7 HG LEU 38 - HD3 LYS 73 far 0 30 0 - 7.8-15.0 HG3 LYS 24 - HD3 LYS 90 far 0 76 0 - 7.9-12.9 HG12 ILE 56 - HD2 LYS 68 far 0 21 0 - 7.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 69 0 - 7.9-12.0 HG3 LYS 66 - HD3 LYS 73 far 0 50 0 - 7.9-13.0 HG LEU 57 - HG12 ILE 15 far 0 87 0 - 8.0-10.7 HG LEU 38 - HD2 LYS 73 far 0 32 0 - 8.0-15.4 HG3 LYS 66 - HD2 LYS 39 far 0 64 0 - 8.0-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 97 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 49 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 53 0 - 8.3-12.9 HG2 LYS 66 - HD2 LYS 39 far 0 64 0 - 8.3-12.5 HD3 LYS 40 - HD2 LYS 39 far 0 47 0 - 8.4-12.1 HB ILE 7 - HD3 LYS 90 far 0 57 0 - 8.5-12.3 HB2 LEU 27 - HD2 LYS 24 far 0 30 0 - 8.6-11.0 HD2 LYS 40 - HD2 LYS 39 far 0 46 0 - 8.7-11.9 HG2 LYS 20 - HD3 LYS 13 far 0 27 0 - 8.7-13.0 HB2 LEU 38 - HD2 LYS 73 far 0 28 0 - 8.8-14.7 HG3 LYS 13 - HG12 ILE 15 far 0 89 0 - 8.8-10.4 HG3 LYS 66 - HD2 LYS 68 far 0 46 0 - 8.8-11.4 HG LEU 38 - HD2 LYS 68 far 0 28 0 - 9.0-13.9 HG2 LYS 20 - HD3 LYS 12 far 0 44 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 29 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 29 0 - 9.1-10.4 HG2 LYS 73 - HD2 LYS 68 far 0 46 0 - 9.2-12.3 HB2 LEU 14 - HD3 LYS 20 far 0 71 0 - 9.4-13.1 HG2 LYS 20 - HD2 LYS 12 far 0 44 0 - 9.5-14.5 HG LEU 6 - HG12 ILE 15 far 0 56 0 - 9.6-11.7 HG3 ARG 30 - HG12 ILE 15 far 0 48 0 - 9.6-10.9 HB2 LEU 14 - HD2 LYS 20 far 0 72 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 49 0 - 9.7-13.5 HG3 LYS 13 - HD3 LYS 90 far 0 83 0 - 9.7-15.3 HD2 LYS 82 - HD2 LYS 68 far 0 28 0 - 9.7-13.2 HB2 LEU 27 - HD3 LYS 90 far 0 52 0 - 9.7-13.7 HG2 LYS 20 - HG12 ILE 15 far 0 56 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 72 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 59 0 - 10.0-17.2 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 75 assignments used, quality = 1.00: * HG3 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.2-3.0 3.0=53, 2175/1.8=11...(65) HG3 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=53, 2175/1.8=12...(58) HD3 LYS 39 + HD2 LYS 39 OK 54 54 100 100 1.8-1.8 1.8=100 HG3 LYS 12 + HD3 LYS 12 OK 48 53 100 92 2.5-3.0 3.0=52, 464/3.0=14...(41) HG3 LYS 12 + HD2 LYS 12 OK 48 53 100 92 2.2-3.0 3.0=52, 464/3.0=14...(41) HG3 LYS 90 + HD3 LYS 90 OK 38 45 100 84 2.3-2.9 2.9=54, 2.8/3942=13...(20) HG3 LYS 73 + HD2 LYS 73 OK 36 40 100 89 2.2-3.0 3.0=54, 7208/7210=8...(57) HG2 LYS 68 + HD2 LYS 68 OK 34 38 100 90 2.2-3.0 3.0=53, 1.8/3038=9...(45) HG3 LYS 73 + HD3 LYS 73 OK 34 38 100 88 2.2-3.0 3.0=54, 2174/1.8=8...(56) 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 2.3-3.0 3.0=54, 1.8/1101=7...(47) HG2 LYS 24 + HD3 LYS 24 OK 24 27 100 88 2.4-3.0 3.0=54, 1.8/1101=7...(51) HG2 ARG 19 - HD2 LYS 20 far 3 61 5 - 3.1-9.1 HD2 LYS 39 - HD3 LYS 73 far 2 30 5 - 2.1-10.5 HD3 LYS 39 - HD3 LYS 73 far 0 42 0 - 3.6-10.3 HD2 LYS 39 - HD2 LYS 73 far 0 32 0 - 3.8-10.0 HG2 ARG 19 - HD3 LYS 20 far 0 59 0 - 3.9-9.2 HG3 LYS 73 - HD2 LYS 39 far 0 49 0 - 4.0-10.5 HD2 LYS 94 - HB3 ARG 91 far 0 100 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 87 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 61 0 - 4.5-7.6 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 4.7-8.9 HD3 LYS 39 - HD2 LYS 73 far 0 45 0 - 4.9-10.8 HG3 LYS 12 - HG12 ILE 15 far 0 67 0 - 5.3-8.0 HG3 LYS 12 - HD2 LYS 13 far 0 36 0 - 5.3-9.2 HG2 ARG 19 - HG12 ILE 15 far 0 51 0 - 5.4-9.6 HG3 LYS 90 - HD3 LYS 20 far 0 57 0 - 5.5-10.4 HG3 LYS 12 - HD3 LYS 13 far 0 33 0 - 5.6-9.4 HG3 LYS 90 - HD2 LYS 20 far 0 59 0 - 6.1-10.5 HB2 LYS 40 - HD2 LYS 39 far 0 49 0 - 6.2-9.0 HD2 LYS 94 - HD3 LYS 90 far 0 84 0 - 6.2-10.4 HD2 LYS 66 - HD3 LYS 73 far 0 41 0 - 6.2-13.3 HD2 LYS 66 - HD2 LYS 73 far 0 43 0 - 6.6-14.4 HG2 LYS 24 - HD3 LYS 20 far 0 61 0 - 6.7-9.3 HD2 LYS 66 - HD2 LYS 68 far 0 37 0 - 7.2-12.1 HB3 ARG 79 - HD2 LYS 68 far 0 28 0 - 7.2-11.9 HG2 LYS 24 - HD2 LYS 20 far 0 63 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 81 0 - 7.2-11.0 HD2 LYS 66 - HD2 LYS 39 far 0 52 0 - 7.5-12.0 HB3 LEU 29 - HD3 LYS 20 far 0 79 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 40 0 - 7.6-11.8 HB ILE 76 - HD2 LYS 73 far 0 42 0 - 7.6-10.9 HG2 ARG 19 - HD2 LYS 12 far 0 40 0 - 7.6-11.3 HB2 ARG 79 - HD2 LYS 68 far 0 36 0 - 7.8-12.5 HG2 ARG 19 - HD3 LYS 24 far 0 26 0 - 8.0-13.8 HB3 LEU 29 - HG12 ILE 15 far 0 70 0 - 8.1-9.6 HD3 LYS 94 - HD2 LYS 24 far 0 40 0 - 8.1-12.1 HB2 ARG 30 - HG12 ILE 15 far 0 79 0 - 8.1-8.9 HG2 LYS 24 - HD3 LYS 90 far 0 49 0 - 8.2-11.4 HB3 LEU 6 - HG12 ILE 15 far 0 70 0 - 8.3-10.7 HB ILE 76 - HD3 LYS 73 far 0 40 0 - 8.3-11.7 HG2 ARG 19 - HD2 LYS 24 far 0 27 0 - 8.4-13.7 HG3 LYS 73 - HD2 LYS 68 far 0 35 0 - 8.4-11.6 HB ILE 76 - HD2 LYS 39 far 0 51 0 - 8.5-11.6 HG3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.5-12.3 HG2 LYS 68 - HD2 LYS 73 far 0 44 0 - 8.6-12.4 HG LEU 27 - HD2 LYS 24 far 0 40 0 - 8.6-10.7 HD2 LYS 94 - HD2 LYS 24 far 0 53 0 - 8.7-12.6 HG3 LYS 90 - HD2 LYS 13 far 0 25 0 - 8.8-13.3 HG2 ARG 19 - HD3 LYS 90 far 0 47 0 - 8.8-13.6 HD2 LYS 94 - HD3 LYS 24 far 0 52 0 - 8.9-12.4 HB ILE 76 - HD2 LYS 68 far 0 36 0 - 8.9-14.6 HD3 LYS 94 - HD3 LYS 24 far 0 39 0 - 8.9-11.9 HG2 LYS 68 - HD3 LYS 73 far 0 42 0 - 9.0-12.9 HG LEU 27 - HD3 LYS 24 far 0 39 0 - 9.0-10.5 HG3 LYS 90 - HD2 LYS 24 far 0 26 0 - 9.2-12.6 HD2 LYS 68 - HD2 LYS 73 far 0 34 0 - 9.3-13.7 HG2 ARG 19 - HD3 LYS 13 far 0 25 0 - 9.3-13.8 HB3 LEU 29 - HD3 LYS 90 far 0 64 0 - 9.4-13.6 HG2 ARG 19 - HD2 LYS 13 far 0 26 0 - 9.5-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 78 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 38 0 - 9.6-13.1 HD2 LYS 68 - HD3 LYS 73 far 0 32 0 - 9.6-13.9 HB3 LEU 29 - HD3 LYS 24 far 0 37 0 - 9.7-12.8 HG3 LYS 90 - HD3 LYS 13 far 0 24 0 - 10.0-13.8 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): 21 out of 77 assignments used, quality = 1.00: * HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD2 LYS 12 OK 72 72 100 100 2.3-3.0 3.0=100 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 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 47 47 100 100 2.4-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.2-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 46 46 100 100 2.4-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.4-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 45 45 100 100 2.3-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 44 44 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 8 52 15 - 2.5-6.2 HE2 LYS 73 - HD2 LYS 39 far 8 50 15 - 2.5-10.1 HE3 LYS 90 - HB3 ARG 91 far 6 61 10 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 4 44 10 - 4.0-10.2 HB2 SER 9 - HG12 ILE 15 far 4 81 5 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 40 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 57 0 - 4.5-12.2 HE2 LYS 12 - HG12 ILE 15 far 0 58 0 - 4.5-8.9 HE3 LYS 12 - HD3 LYS 13 far 0 47 0 - 4.6-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 30 0 - 4.7-11.5 HE3 LYS 24 - HD3 LYS 20 far 0 94 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 67 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 43 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 28 0 - 5.3-11.7 HE3 LYS 12 - HD2 LYS 13 far 0 50 0 - 5.4-12.0 HE3 LYS 12 - HG12 ILE 15 far 0 87 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 65 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 66 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 94 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 29 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 68 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 67 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 68 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 93 0 - 6.6-14.0 HB3 ASP 11 - HG12 ILE 15 far 0 78 0 - 6.7-7.9 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.7-13.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 6.9-9.4 HG2 MET 21 - HD2 LYS 24 far 0 30 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 66 0 - 7.0-11.4 HE3 LYS 90 - HD3 LYS 13 far 0 24 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.3 HE2 LYS 12 - HD3 LYS 20 far 0 67 0 - 7.8-13.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 49 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 96 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 97 0 - 8.2-15.0 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 8.4-13.8 HB2 SER 9 - HD3 LYS 13 far 0 42 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.6-13.4 HB2 SER 9 - HD2 LYS 13 far 0 45 0 - 8.9-12.0 HE2 LYS 13 - HD3 LYS 90 far 0 79 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 80 0 - 9.0-13.9 HB3 ASP 11 - HD3 LYS 90 far 0 72 0 - 9.5-14.3 HE3 LYS 90 - HD2 LYS 24 far 0 26 0 - 9.7-13.7 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 21 out of 77 assignments used, quality = 1.00: HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD2 LYS 12 OK 72 72 100 100 2.3-3.0 3.0=100 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 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 47 47 100 100 2.4-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.2-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 46 46 100 100 2.4-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.4-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 45 45 100 100 2.3-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 44 44 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 8 52 15 - 2.5-6.2 HE2 LYS 73 - HD2 LYS 39 far 8 50 15 - 2.5-10.1 HE3 LYS 90 - HB3 ARG 91 far 6 61 10 - 3.7-9.0 HE3 LYS 73 - HD2 LYS 39 far 4 44 10 - 4.0-10.2 HB2 SER 9 - HG12 ILE 15 far 4 81 5 - 4.1-5.5 HB3 ASP 11 - HD3 LYS 13 far 0 40 0 - 4.3-8.1 HE3 LYS 90 - HD3 LYS 20 far 0 57 0 - 4.5-12.2 HE2 LYS 12 - HG12 ILE 15 far 0 58 0 - 4.5-8.9 HE3 LYS 12 - HD3 LYS 13 far 0 47 0 - 4.6-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 30 0 - 4.7-11.5 HE3 LYS 24 - HD3 LYS 20 far 0 94 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 67 0 - 5.2-11.2 HB3 ASP 11 - HD2 LYS 13 far 0 43 0 - 5.2-7.1 HE2 LYS 12 - HD3 LYS 13 far 0 28 0 - 5.3-11.7 HE3 LYS 12 - HD2 LYS 13 far 0 50 0 - 5.4-12.0 HE3 LYS 12 - HG12 ILE 15 far 0 87 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 65 0 - 6.0-9.2 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 6.1-9.1 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 6.1-9.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.2-12.0 HB2 SER 9 - HD2 LYS 12 far 0 66 0 - 6.2-11.5 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 94 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 29 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.4-9.8 HE2 LYS 13 - HD2 LYS 12 far 0 68 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 67 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 68 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 93 0 - 6.6-14.0 HB3 ASP 11 - HG12 ILE 15 far 0 78 0 - 6.7-7.9 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.7-13.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 6.9-9.4 HG2 MET 21 - HD2 LYS 24 far 0 30 0 - 6.9-9.2 HB2 SER 9 - HD3 LYS 12 far 0 66 0 - 7.0-11.4 HE3 LYS 90 - HD3 LYS 13 far 0 24 0 - 7.5-15.1 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.3 HE2 LYS 12 - HD3 LYS 20 far 0 67 0 - 7.8-13.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.9-14.0 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 49 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 96 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 97 0 - 8.2-15.0 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 8.4-13.8 HB2 SER 9 - HD3 LYS 13 far 0 42 0 - 8.5-12.2 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.6-13.4 HB2 SER 9 - HD2 LYS 13 far 0 45 0 - 8.9-12.0 HE2 LYS 13 - HD3 LYS 90 far 0 79 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 80 0 - 9.0-13.9 HB3 ASP 11 - HD3 LYS 90 far 0 72 0 - 9.5-14.3 HE3 LYS 90 - HD2 LYS 24 far 0 26 0 - 9.7-13.7 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.8-14.9 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 14 assignments used, quality = 1.00: * H GLU 48 + HD3 LYS 47 OK 100 100 100 100 4.1-6.5 6783/3.9=91, 2144/3.9=91...(14) H GLU 48 + HD2 LYS 47 OK 100 100 100 100 4.1-6.3 6783/3.9=91, 2144/3.9=91...(13) H GLU 44 + HD3 LYS 47 OK 73 97 75 100 4.7-8.1 ~12088=61, ~12089=59...(17) H LYS 40 + HD2 LYS 39 OK 56 56 100 100 4.8-6.7 6621/3.6=89, 6620/3.6=88...(10) H GLU 44 + HD2 LYS 47 OK 44 97 45 100 5.0-8.5 ~12088=61, ~12089=59...(15) HD22 ASN 10 - HD3 LYS 12 poor 14 71 20 - 4.6-10.6 HD22 ASN 10 - HD2 LYS 12 poor 14 71 20 - 4.9-11.2 HD22 ASN 10 - HG12 ILE 15 far 0 87 0 - 7.6-10.7 HE22 GLN 50 - HD2 LYS 47 far 0 99 0 - 8.1-14.3 H LYS 40 - HD3 LYS 73 far 0 44 0 - 8.3-15.1 HE22 GLN 50 - HD3 LYS 47 far 0 99 0 - 8.4-15.1 H GLU 44 - HD2 LYS 39 far 0 58 0 - 8.6-11.3 HD22 ASN 10 - HD3 LYS 13 far 0 46 0 - 8.9-15.2 HD22 ASN 10 - HD2 LYS 13 far 0 50 0 - 9.4-14.5 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 + HE2 LYS 47 OK 100 100 100 100 3.6-6.0 6773/3.8=88, 6772/3.8=82...(30) H LYS 47 + HE3 LYS 47 OK 95 100 95 100 3.1-6.2 6773/3.8=88, 6772/3.8=82...(30) HE ARG 46 - HE2 LYS 47 far 15 100 15 - 5.6-12.2 HE ARG 46 - HE3 LYS 47 far 10 100 10 - 5.2-11.7 HE ARG 19 - HE3 LYS 12 far 4 88 5 - 5.9-12.4 HD22 ASN 26 - HE2 LYS 24 far 0 95 0 - 6.7-11.7 HD22 ASN 26 - HE3 LYS 24 far 0 95 0 - 7.2-11.2 HE22 GLN 72 - HE3 LYS 73 far 0 40 0 - 7.5-11.8 HE22 GLN 72 - HE2 LYS 73 far 0 50 0 - 8.8-11.8 HE ARG 46 - HE2 LYS 73 far 0 76 0 - 8.8-15.6 HE ARG 19 - HE2 LYS 13 far 0 82 0 - 9.2-17.1 HE ARG 19 - HE3 LYS 13 far 0 78 0 - 9.3-16.3 H ILE 52 - HE2 LYS 47 far 0 90 0 - 9.4-13.7 HE ARG 46 - HE3 LYS 73 far 0 63 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 4.01 A): 6 out of 13 assignments used, quality = 0.99: HA LYS 13 + HE3 LYS 13 OK 69 87 80 100 3.7-5.4 486/3.8=56, 518/3.8=49...(52) * HA LYS 47 + HE2 LYS 47 OK 60 100 60 100 2.3-6.5 2126/3.8=39, 2127/3.8=38...(83) HA LYS 13 + HE2 LYS 13 OK 58 90 65 100 2.7-6.1 486/3.8=56, 518/3.8=49...(52) HA LYS 47 + HE3 LYS 47 OK 55 100 55 100 3.1-6.4 2126/3.8=39, 2127/3.8=38...(83) HA LYS 73 + HE2 LYS 73 OK 27 54 50 99 4.2-6.1 3232/4.0=26, 3231/4.0=25...(67) HA LYS 73 + HE3 LYS 73 OK 26 44 60 99 3.7-6.4 3232/4.0=26, 3231/4.0=25...(66) HA GLU 23 - HE2 LYS 24 far 5 95 5 - 4.7-8.7 HA LYS 13 - HE3 LYS 12 far 0 95 0 - 5.7-9.1 HA GLU 23 - HE3 LYS 24 far 0 95 0 - 5.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 72 0 - 8.0-9.6 HA GLN 72 - HE3 LYS 73 far 0 59 0 - 8.0-9.7 HA MET 1 - HE3 LYS 47 far 0 97 0 - 9.9-17.0 HA MET 1 - HE2 LYS 47 far 0 97 0 - 10.0-16.2 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.38 A): 9 out of 39 assignments used, quality = 1.00: * HB2 LYS 47 + HE2 LYS 47 OK 79 100 80 99 2.0-4.6 4.9=33, 1.8/2155=16...(105) HB2 LYS 47 + HE3 LYS 47 OK 79 100 80 99 2.0-4.4 4.9=33, 1.8/2154=16...(105) HB3 LYS 24 + HE2 LYS 24 OK 56 95 60 99 2.1-5.5 4.9=32, 3.0/12306=21...(101) HB3 LYS 73 + HE2 LYS 73 OK 53 72 75 99 2.5-4.8 4.9=33, 3295/3.0=9...(119) HB2 LYS 24 + HE2 LYS 24 OK 47 95 50 99 2.1-5.0 4.9=32, 3.0/12306=21...(101) HB3 LYS 24 + HE3 LYS 24 OK 42 95 45 99 2.3-5.4 4.9=32, 3.0/12306=21...(101) HB3 LYS 73 + HE3 LYS 73 OK 41 59 70 99 2.1-4.6 4.9=33, 3295/3.0=9...(119) HB2 LYS 24 + HE3 LYS 24 OK 37 95 40 99 2.2-5.4 4.9=32, 3.0/12306=21...(101) HB2 LYS 73 + HE2 LYS 73 OK 25 72 35 99 3.4-5.1 4.9=33, ~3234=9, ~3294=9...(119) HB2 ARG 46 - HE3 LYS 47 far 15 100 15 - 3.8-9.5 HB3 ARG 46 - HE3 LYS 47 far 15 99 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 15 99 15 - 3.7-9.9 HB2 LYS 73 - HE3 LYS 73 poor 15 59 25 - 3.3-5.2 HB2 ARG 46 - HE2 LYS 47 far 10 100 10 - 3.7-9.4 HB3 GLU 44 - HE2 LYS 47 far 7 73 10 - 3.3-8.8 HB3 GLU 44 - HE3 LYS 47 far 4 73 5 - 4.1-9.5 HB3 LYS 20 - HE3 LYS 24 far 0 62 0 - 4.3-9.9 HB2 GLU 44 - HE2 LYS 47 far 0 73 0 - 4.6-9.8 QE MET 74 - HE2 LYS 73 far 0 47 0 - 4.8-9.3 HB2 GLU 44 - HE3 LYS 47 far 0 73 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 62 0 - 4.9-10.5 QE MET 74 - HE3 LYS 73 far 0 38 0 - 5.2-9.5 HB3 MET 74 - HE3 LYS 73 far 0 62 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 75 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 72 0 - 6.3-11.8 HB3 GLU 17 - HE2 LYS 13 far 0 52 0 - 6.5-11.0 QE MET 74 - HE3 LYS 47 far 0 71 0 - 7.1-11.8 HB3 ARG 19 - HE3 LYS 12 far 0 56 0 - 7.5-12.4 HB2 GLU 35 - HE2 LYS 73 far 0 38 0 - 7.7-13.9 HB3 GLU 17 - HE3 LYS 13 far 0 50 0 - 7.9-11.2 HB2 GLU 17 - HE3 LYS 13 far 0 69 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 53 0 - 7.9-14.2 QE MET 74 - HE2 LYS 47 far 0 71 0 - 8.1-11.6 HB3 ARG 19 - HE2 LYS 24 far 0 53 0 - 8.3-14.3 HB3 LYS 20 - HE2 LYS 13 far 0 60 0 - 8.6-14.8 HB2 GLU 35 - HE3 LYS 73 far 0 30 0 - 8.8-14.3 HB2 GLU 17 - HE3 LYS 24 far 0 75 0 - 9.4-14.5 HB3 GLU 17 - HE3 LYS 12 far 0 58 0 - 9.6-13.7 HB2 GLU 17 - HE2 LYS 24 far 0 75 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2204 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.25 A): 10 out of 46 assignments used, quality = 0.99: * HB3 LYS 47 + HE2 LYS 47 OK 64 100 65 99 2.0-5.0 4.9=30, 2154/1.8=15...(111) HB3 LYS 47 + HE3 LYS 47 OK 59 100 60 99 2.7-5.0 4.9=30, 2154/1.8=15...(111) HB3 LYS 24 + HE2 LYS 24 OK 32 55 60 98 2.1-5.5 4.9=28, 3.0/12306=19...(99) HB3 LYS 73 + HE2 LYS 73 OK 29 48 60 98 2.5-4.8 4.9=29, ~3234=8, ~3294=8...(114) HB3 LYS 13 + HE2 LYS 13 OK 27 91 30 99 2.0-5.5 5.0=27, 3.0/474=15...(92) HB3 LYS 73 + HE3 LYS 73 OK 25 39 65 98 2.1-4.6 4.9=29, ~3234=8, ~3294=8...(114) HB2 LYS 24 + HE2 LYS 24 OK 24 55 45 98 2.1-5.0 4.9=28, 3.0/12306=19...(99) HB3 LYS 13 + HE3 LYS 13 OK 22 87 25 99 3.3-4.8 5.0=27, 3.0/474=14...(92) HB3 LYS 24 + HE3 LYS 24 OK 21 55 40 98 2.3-5.4 4.9=28, 3.0/12306=19...(99) HB2 LYS 24 + HE3 LYS 24 OK 21 55 40 98 2.2-5.4 4.9=28, 3.0/12306=19...(99) HB2 LYS 13 - HE2 LYS 13 poor 18 92 20 - 3.6-5.5 HB2 LYS 73 - HE2 LYS 73 poor 16 47 35 - 3.4-5.1 HB3 ARG 46 - HE3 LYS 47 far 10 68 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 10 68 15 - 3.7-9.9 HB2 LYS 20 - HE3 LYS 24 far 9 60 15 - 2.8-9.2 HB2 LYS 13 - HE3 LYS 13 far 9 89 10 - 3.3-5.5 HB2 LYS 73 - HE3 LYS 73 poor 8 38 20 - 3.3-5.2 HB2 LYS 20 - HE2 LYS 24 far 6 60 10 - 3.3-9.0 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 4.3-9.9 HB2 GLU 43 - HE3 LYS 47 far 0 94 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 4.9-10.5 HB3 MET 74 - HE3 LYS 73 far 0 31 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 39 0 - 5.9-10.6 HB2 GLU 43 - HE2 LYS 47 far 0 94 0 - 6.0-10.4 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.3-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 96 0 - 6.8-11.4 HB2 ARG 19 - HE3 LYS 12 far 0 69 0 - 7.1-13.4 HB2 LYS 13 - HE3 LYS 12 far 0 97 0 - 7.5-11.0 HB3 ARG 19 - HE3 LYS 12 far 0 98 0 - 7.5-12.4 HB3 LEU 14 - HE3 LYS 13 far 0 76 0 - 7.7-9.9 HB3 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.7-10.9 HB2 LYS 33 - HE3 LYS 12 far 0 97 0 - 7.7-15.1 HB3 LEU 14 - HE2 LYS 13 far 0 79 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 66 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 66 0 - 7.8-13.7 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 95 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 95 0 - 8.3-14.3 HB2 LYS 94 - HE3 LYS 24 far 0 96 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-14.8 HB3 LEU 14 - HE3 LYS 12 far 0 85 0 - 8.8-11.0 HB3 LYS 33 - HE3 LYS 12 far 0 96 0 - 9.2-14.0 HG LEU 42 - HE2 LYS 73 far 0 54 0 - 9.2-14.5 HB2 GLU 17 - HE3 LYS 24 far 0 88 0 - 9.4-14.5 HB2 LYS 20 - HE2 LYS 13 far 0 58 0 - 9.5-16.1 HB2 GLU 17 - HE2 LYS 24 far 0 88 0 - 9.7-14.4 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 32 assignments used, quality = 1.00: HG2 LYS 47 + HE3 LYS 47 OK 98 100 100 98 2.1-3.8 3.8=49, 1.8/2177=12...(101) HG3 LYS 24 + HE2 LYS 24 OK 77 88 90 97 2.2-4.1 3.7=51, 3.7/12306=13...(92) HG3 LYS 13 + HE2 LYS 13 OK 76 92 90 91 2.6-4.1 3.8=47, 486/6.0=12...(66) * HG2 LYS 47 + HE2 LYS 47 OK 74 100 75 98 2.0-4.2 3.8=49, 1.8/2206=16...(101) HG3 LYS 13 + HE3 LYS 13 OK 70 89 85 92 2.1-4.2 3.8=47, 486/6.0=12...(68) HG2 LYS 73 + HE2 LYS 73 OK 66 76 90 97 2.0-4.0 4.0=41, 3297/3.0=12...(93) HG2 LYS 73 + HE3 LYS 73 OK 61 63 100 97 2.2-3.9 4.0=41, 3297/3.0=12...(100) HG3 LYS 24 + HE3 LYS 24 OK 56 88 65 98 2.1-4.2 3.7=51, 3.7/12306=13...(94) HG2 LYS 20 - HE3 LYS 24 far 0 62 0 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 0 62 0 - 4.5-11.6 HG LEU 2 - HE2 LYS 47 far 0 87 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 87 0 - 5.3-12.9 HG3 LYS 13 - HE3 LYS 12 far 0 97 0 - 5.4-10.6 HG13 ILE 52 - HE2 LYS 47 far 0 70 0 - 6.3-11.4 HB2 LEU 14 - HE3 LYS 13 far 0 62 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 65 0 - 7.3-9.7 HG13 ILE 52 - HE3 LYS 47 far 0 70 0 - 7.4-12.6 HG3 LYS 33 - HE3 LYS 12 far 0 94 0 - 7.5-12.5 HG2 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.3-11.8 HG3 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.5-11.8 HB2 LEU 38 - HE2 LYS 73 far 0 42 0 - 8.5-15.3 HG2 LYS 20 - HE3 LYS 12 far 0 65 0 - 9.0-14.6 HG2 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.1-15.2 HB2 LEU 38 - HE3 LYS 73 far 0 34 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 62 0 - 9.4-11.9 HG2 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.4-12.7 HG LEU 38 - HE2 LYS 73 far 0 48 0 - 9.5-14.8 HB ILE 7 - HE3 LYS 12 far 0 71 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 71 0 - 9.8-11.7 HB2 LEU 27 - HE3 LYS 24 far 0 62 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 57 0 - 9.9-14.9 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 34 assignments used, quality = 1.00: * HG3 LYS 47 + HE2 LYS 47 OK 87 100 90 97 2.4-4.2 3.8=47, 2177/1.8=12...(77) HG3 LYS 47 + HE3 LYS 47 OK 63 100 65 97 2.0-4.2 3.8=47, 2177/1.8=12...(77) HG2 LYS 24 + HE3 LYS 24 OK 56 58 100 95 2.4-3.7 3.7=49, 3.7/12306=13...(73) HG3 LYS 73 + HE2 LYS 73 OK 50 59 90 94 2.4-4.0 4.0=39, 3298/3.0=14...(77) HG2 LYS 24 + HE2 LYS 24 OK 50 58 90 94 2.0-3.9 3.7=49, 3.7/12306=13...(73) HG3 LYS 12 + HE3 LYS 12 OK 49 76 70 92 2.4-4.2 4.0=40, ~463=30, ~423=23...(36) HG3 LYS 73 + HE3 LYS 73 OK 30 48 65 94 2.3-4.2 4.0=39, 3298/3.0=14...(79) HD2 LYS 39 - HE2 LYS 73 far 7 48 15 - 2.5-10.1 HD3 LYS 39 - HE2 LYS 73 far 3 65 5 - 3.4-10.1 HD3 LYS 39 - HE3 LYS 73 far 3 53 5 - 3.2-10.4 HD2 LYS 39 - HE3 LYS 73 far 0 39 0 - 4.0-10.2 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 67 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 63 0 - 6.2-13.7 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 79 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 96 0 - 8.2-13.0 HG LEU 27 - HE2 LYS 24 far 0 79 0 - 8.5-11.7 HG2 LYS 68 - HE2 LYS 73 far 0 64 0 - 8.9-13.5 HG3 LYS 90 - HE2 LYS 13 far 0 52 0 - 9.0-15.4 HB ILE 76 - HE3 LYS 73 far 0 50 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 62 0 - 9.3-12.8 HG3 LYS 90 - HE2 LYS 24 far 0 55 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 79 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 96 0 - 9.6-12.9 HG LEU 27 - HE3 LYS 24 far 0 79 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 76 0 - 9.7-14.1 HD2 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.8-14.9 HG3 LYS 90 - HE3 LYS 24 far 0 55 0 - 9.8-13.3 HG2 LYS 68 - HE3 LYS 73 far 0 52 0 - 9.9-13.9 HG2 ARG 19 - HE3 LYS 24 far 0 57 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 57 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 76 0 - 9.9-14.5 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 63 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(46) * HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(50) HD2 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.2-3.0 3.0=61, 3.0/2177=6...(50) HD3 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.3-3.0 3.0=61, 3.0/2176=6...(45) HD2 LYS 24 + HE3 LYS 24 OK 78 90 100 88 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE3 LYS 24 OK 78 89 100 88 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE2 LYS 24 OK 77 89 100 87 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 12 + HE3 LYS 12 OK 73 88 100 84 2.3-3.0 3.0=60, ~463=13, ~423=11...(27) HD3 LYS 12 + HE3 LYS 12 OK 73 88 100 84 2.2-3.0 3.0=60, ~463=13, ~423=11...(27) HD2 LYS 13 + HE2 LYS 13 OK 72 82 100 88 2.4-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 70 79 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 69 78 100 88 2.2-3.0 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 60 71 100 84 2.3-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 59 69 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 49 58 100 84 2.2-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 48 57 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 39 - HE2 LYS 73 far 9 57 15 - 2.5-10.1 HD3 LYS 39 - HE2 LYS 73 far 2 38 5 - 3.4-10.1 HD3 LYS 39 - HE3 LYS 73 far 2 30 5 - 3.2-10.4 HD2 LYS 39 - HE3 LYS 73 far 0 46 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 4.3-11.4 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 4.5-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 85 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.0-11.4 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 66 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 89 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 88 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 35 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 94 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 44 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 54 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 63 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 86 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-12.0 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 82 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 82 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 6.6-14.0 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.7-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 91 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 91 0 - 7.4-14.4 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 8.0-13.0 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-15.0 HG2 LYS 68 - HE2 LYS 73 far 0 39 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 86 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 89 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 34 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 42 0 - 9.3-12.8 HD2 LYS 68 - HE3 LYS 73 far 0 44 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 31 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 10.0-14.9 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 61 assignments used, quality = 1.00: * HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(46) HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(50) HD2 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.2-3.0 3.0=61, 3.0/2177=6...(50) HD3 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.3-3.0 3.0=61, 3.0/2177=6...(45) HD2 LYS 24 + HE3 LYS 24 OK 79 90 100 88 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 24 + HE2 LYS 24 OK 79 90 100 87 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE3 LYS 24 OK 78 90 100 88 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 12 + HE3 LYS 12 OK 74 89 100 84 2.3-3.0 3.0=60, ~463=13, ~423=11...(27) HD3 LYS 12 + HE3 LYS 12 OK 74 89 100 84 2.2-3.0 3.0=60, ~463=13, ~423=11...(27) HD2 LYS 13 + HE2 LYS 13 OK 73 83 100 88 2.4-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 71 80 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 70 80 100 88 2.2-3.0 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 59 70 100 84 2.3-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 58 68 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 48 58 100 84 2.2-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 47 56 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 39 - HE2 LYS 73 far 8 55 15 - 2.5-10.1 HD2 LYS 39 - HE3 LYS 73 far 0 45 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 94 0 - 4.3-11.4 HG3 LYS 20 - HE2 LYS 24 far 0 94 0 - 4.5-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 87 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 94 0 - 5.0-11.4 HD3 LYS 12 - HE3 LYS 13 far 0 80 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 67 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 90 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 89 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 36 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 95 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 45 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 55 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 87 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-12.0 HD3 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 83 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 80 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 83 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 6.6-14.0 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.7-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 92 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 52 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 92 0 - 7.4-14.4 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 8.0-13.0 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-15.0 HG2 LYS 68 - HE2 LYS 73 far 0 38 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 87 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 90 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 33 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 41 0 - 9.3-12.8 HD2 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 30 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 10.0-14.9 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 10 assignments used, quality = 0.96: * H GLU 48 + HE2 LYS 47 OK 80 100 80 100 4.0-6.4 6783/4.9=64, 2144/4.9=64...(13) H GLU 48 + HE3 LYS 47 OK 80 100 80 100 4.4-6.8 6783/4.9=64, 2144/4.9=64...(13) H GLU 44 - HE2 LYS 47 far 10 97 10 - 5.7-9.5 HD22 ASN 10 - HE3 LYS 12 far 10 96 10 - 4.6-11.5 H GLU 44 - HE3 LYS 47 far 5 97 5 - 4.5-10.1 HE22 GLN 50 - HE3 LYS 47 far 0 99 0 - 7.8-14.0 HE22 GLN 50 - HE2 LYS 47 far 0 99 0 - 7.9-14.4 H LYS 40 - HE2 LYS 73 far 0 67 0 - 9.0-15.0 H LYS 40 - HE3 LYS 73 far 0 55 0 - 9.8-15.3 HD22 ASN 10 - HE3 LYS 13 far 0 87 0 - 9.8-16.2 Violated in 4 structures by 0.01 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 + HE2 LYS 47 OK 100 100 100 100 3.6-6.0 6773/3.8=88, 6772/3.8=82...(30) * H LYS 47 + HE3 LYS 47 OK 95 100 95 100 3.1-6.2 6773/3.8=88, 6772/3.8=82...(30) HE ARG 46 - HE2 LYS 47 far 15 100 15 - 5.6-12.2 HE ARG 46 - HE3 LYS 47 far 10 100 10 - 5.2-11.7 HE ARG 19 - HE3 LYS 12 far 4 88 5 - 5.9-12.4 HD22 ASN 26 - HE2 LYS 24 far 0 95 0 - 6.7-11.7 HD22 ASN 26 - HE3 LYS 24 far 0 95 0 - 7.2-11.2 HE22 GLN 72 - HE3 LYS 73 far 0 40 0 - 7.5-11.8 HE22 GLN 72 - HE2 LYS 73 far 0 50 0 - 8.8-11.8 HE ARG 46 - HE2 LYS 73 far 0 76 0 - 8.8-15.6 HE ARG 19 - HE2 LYS 13 far 0 82 0 - 9.2-17.1 HE ARG 19 - HE3 LYS 13 far 0 78 0 - 9.3-16.3 H ILE 52 - HE2 LYS 47 far 0 90 0 - 9.4-13.7 HE ARG 46 - HE3 LYS 73 far 0 63 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 4.01 A): 6 out of 13 assignments used, quality = 0.99: HA LYS 13 + HE3 LYS 13 OK 69 87 80 100 3.7-5.4 486/3.8=56, 518/3.8=49...(52) HA LYS 47 + HE2 LYS 47 OK 60 100 60 100 2.3-6.5 2126/3.8=39, 2127/3.8=38...(83) HA LYS 13 + HE2 LYS 13 OK 58 90 65 100 2.7-6.1 486/3.8=56, 518/3.8=49...(52) * HA LYS 47 + HE3 LYS 47 OK 55 100 55 100 3.1-6.4 2126/3.8=39, 2127/3.8=38...(83) HA LYS 73 + HE2 LYS 73 OK 27 54 50 99 4.2-6.1 3232/4.0=26, 3231/4.0=25...(67) HA LYS 73 + HE3 LYS 73 OK 26 44 60 99 3.7-6.4 3232/4.0=26, 3231/4.0=25...(66) HA GLU 23 - HE2 LYS 24 far 5 95 5 - 4.7-8.7 HA LYS 13 - HE3 LYS 12 far 0 95 0 - 5.7-9.1 HA GLU 23 - HE3 LYS 24 far 0 95 0 - 5.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 72 0 - 8.0-9.6 HA GLN 72 - HE3 LYS 73 far 0 59 0 - 8.0-9.7 HA MET 1 - HE3 LYS 47 far 0 97 0 - 9.9-17.0 HA MET 1 - HE2 LYS 47 far 0 97 0 - 10.0-16.2 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.38 A): 9 out of 39 assignments used, quality = 1.00: HB2 LYS 47 + HE2 LYS 47 OK 79 100 80 99 2.0-4.6 4.9=33, 1.8/2155=16...(105) * HB2 LYS 47 + HE3 LYS 47 OK 79 100 80 99 2.0-4.4 4.9=33, 1.8/2154=16...(105) HB3 LYS 24 + HE2 LYS 24 OK 56 95 60 99 2.1-5.5 4.9=32, 3.0/12306=21...(101) HB3 LYS 73 + HE2 LYS 73 OK 53 72 75 99 2.5-4.8 4.9=33, 3295/3.0=9...(119) HB2 LYS 24 + HE2 LYS 24 OK 47 95 50 99 2.1-5.0 4.9=32, 3.0/12306=21...(101) HB3 LYS 24 + HE3 LYS 24 OK 42 95 45 99 2.3-5.4 4.9=32, 3.0/12306=21...(101) HB3 LYS 73 + HE3 LYS 73 OK 41 59 70 99 2.1-4.6 4.9=33, 3295/3.0=9...(119) HB2 LYS 24 + HE3 LYS 24 OK 37 95 40 99 2.2-5.4 4.9=32, 3.0/12306=21...(101) HB2 LYS 73 + HE2 LYS 73 OK 25 72 35 99 3.4-5.1 4.9=33, ~3234=9, ~3294=9...(119) HB2 ARG 46 - HE3 LYS 47 far 15 100 15 - 3.8-9.5 HB3 ARG 46 - HE3 LYS 47 far 15 99 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 15 99 15 - 3.7-9.9 HB2 LYS 73 - HE3 LYS 73 poor 15 59 25 - 3.3-5.2 HB2 ARG 46 - HE2 LYS 47 far 10 100 10 - 3.7-9.4 HB3 GLU 44 - HE2 LYS 47 far 7 73 10 - 3.3-8.8 HB3 GLU 44 - HE3 LYS 47 far 4 73 5 - 4.1-9.5 HB3 LYS 20 - HE3 LYS 24 far 0 62 0 - 4.3-9.9 HB2 GLU 44 - HE2 LYS 47 far 0 73 0 - 4.6-9.8 QE MET 74 - HE2 LYS 73 far 0 47 0 - 4.8-9.3 HB2 GLU 44 - HE3 LYS 47 far 0 73 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 62 0 - 4.9-10.5 QE MET 74 - HE3 LYS 73 far 0 38 0 - 5.2-9.5 HB3 MET 74 - HE3 LYS 73 far 0 62 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 75 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 72 0 - 6.3-11.8 HB3 GLU 17 - HE2 LYS 13 far 0 52 0 - 6.5-11.0 QE MET 74 - HE3 LYS 47 far 0 71 0 - 7.1-11.8 HB3 ARG 19 - HE3 LYS 12 far 0 56 0 - 7.5-12.4 HB2 GLU 35 - HE2 LYS 73 far 0 38 0 - 7.7-13.9 HB3 GLU 17 - HE3 LYS 13 far 0 50 0 - 7.9-11.2 HB2 GLU 17 - HE3 LYS 13 far 0 69 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 53 0 - 7.9-14.2 QE MET 74 - HE2 LYS 47 far 0 71 0 - 8.1-11.6 HB3 ARG 19 - HE2 LYS 24 far 0 53 0 - 8.3-14.3 HB3 LYS 20 - HE2 LYS 13 far 0 60 0 - 8.6-14.8 HB2 GLU 35 - HE3 LYS 73 far 0 30 0 - 8.8-14.3 HB2 GLU 17 - HE3 LYS 24 far 0 75 0 - 9.4-14.5 HB3 GLU 17 - HE3 LYS 12 far 0 58 0 - 9.6-13.7 HB2 GLU 17 - HE2 LYS 24 far 0 75 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.25 A): 10 out of 46 assignments used, quality = 0.99: HB3 LYS 47 + HE2 LYS 47 OK 64 100 65 99 2.0-5.0 4.9=30, 2154/1.8=15...(111) * HB3 LYS 47 + HE3 LYS 47 OK 59 100 60 99 2.7-5.0 4.9=30, 2154/1.8=15...(111) HB3 LYS 24 + HE2 LYS 24 OK 32 55 60 98 2.1-5.5 4.9=28, 3.0/12306=19...(99) HB3 LYS 73 + HE2 LYS 73 OK 29 48 60 98 2.5-4.8 4.9=29, ~3234=8, ~3294=8...(114) HB3 LYS 13 + HE2 LYS 13 OK 27 91 30 99 2.0-5.5 5.0=27, 3.0/474=15...(92) HB3 LYS 73 + HE3 LYS 73 OK 25 39 65 98 2.1-4.6 4.9=29, ~3234=8, ~3294=8...(114) HB2 LYS 24 + HE2 LYS 24 OK 24 55 45 98 2.1-5.0 4.9=28, 3.0/12306=19...(99) HB3 LYS 13 + HE3 LYS 13 OK 22 87 25 99 3.3-4.8 5.0=27, 3.0/474=14...(92) HB3 LYS 24 + HE3 LYS 24 OK 21 55 40 98 2.3-5.4 4.9=28, 3.0/12306=19...(99) HB2 LYS 24 + HE3 LYS 24 OK 21 55 40 98 2.2-5.4 4.9=28, 3.0/12306=19...(99) HB2 LYS 13 - HE2 LYS 13 poor 18 92 20 - 3.6-5.5 HB2 LYS 73 - HE2 LYS 73 poor 16 47 35 - 3.4-5.1 HB3 ARG 46 - HE3 LYS 47 far 10 68 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 10 68 15 - 3.7-9.9 HB2 LYS 20 - HE3 LYS 24 far 9 60 15 - 2.8-9.2 HB2 LYS 13 - HE3 LYS 13 far 9 89 10 - 3.3-5.5 HB2 LYS 73 - HE3 LYS 73 poor 8 38 20 - 3.3-5.2 HB2 LYS 20 - HE2 LYS 24 far 6 60 10 - 3.3-9.0 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 4.3-9.9 HB2 GLU 43 - HE3 LYS 47 far 0 94 0 - 4.8-10.6 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 4.9-10.5 HB3 MET 74 - HE3 LYS 73 far 0 31 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 39 0 - 5.9-10.6 HB2 GLU 43 - HE2 LYS 47 far 0 94 0 - 6.0-10.4 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.3-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 96 0 - 6.8-11.4 HB2 ARG 19 - HE3 LYS 12 far 0 69 0 - 7.1-13.4 HB2 LYS 13 - HE3 LYS 12 far 0 97 0 - 7.5-11.0 HB3 ARG 19 - HE3 LYS 12 far 0 98 0 - 7.5-12.4 HB3 LEU 14 - HE3 LYS 13 far 0 76 0 - 7.7-9.9 HB3 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.7-10.9 HB2 LYS 33 - HE3 LYS 12 far 0 97 0 - 7.7-15.1 HB3 LEU 14 - HE2 LYS 13 far 0 79 0 - 7.8-10.0 HB2 ARG 19 - HE2 LYS 24 far 0 66 0 - 7.8-13.4 HB2 ARG 19 - HE3 LYS 24 far 0 66 0 - 7.8-13.7 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 95 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 95 0 - 8.3-14.3 HB2 LYS 94 - HE3 LYS 24 far 0 96 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-14.8 HB3 LEU 14 - HE3 LYS 12 far 0 85 0 - 8.8-11.0 HB3 LYS 33 - HE3 LYS 12 far 0 96 0 - 9.2-14.0 HG LEU 42 - HE2 LYS 73 far 0 54 0 - 9.2-14.5 HB2 GLU 17 - HE3 LYS 24 far 0 88 0 - 9.4-14.5 HB2 LYS 20 - HE2 LYS 13 far 0 58 0 - 9.5-16.1 HB2 GLU 17 - HE2 LYS 24 far 0 88 0 - 9.7-14.4 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 32 assignments used, quality = 1.00: * HG2 LYS 47 + HE3 LYS 47 OK 98 100 100 98 2.1-3.8 3.8=49, 1.8/2177=12...(101) HG3 LYS 24 + HE2 LYS 24 OK 77 88 90 97 2.2-4.1 3.7=51, 3.7/12306=13...(92) HG3 LYS 13 + HE2 LYS 13 OK 76 92 90 91 2.6-4.1 3.8=47, 486/6.0=12...(66) HG2 LYS 47 + HE2 LYS 47 OK 74 100 75 98 2.0-4.2 3.8=49, 1.8/2206=16...(101) HG3 LYS 13 + HE3 LYS 13 OK 70 89 85 92 2.1-4.2 3.8=47, 486/6.0=12...(68) HG2 LYS 73 + HE2 LYS 73 OK 66 76 90 97 2.0-4.0 4.0=41, 3297/3.0=12...(93) HG2 LYS 73 + HE3 LYS 73 OK 61 63 100 97 2.2-3.9 4.0=41, 3297/3.0=12...(100) HG3 LYS 24 + HE3 LYS 24 OK 56 88 65 98 2.1-4.2 3.7=51, 3.7/12306=13...(94) HG2 LYS 20 - HE3 LYS 24 far 0 62 0 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 0 62 0 - 4.5-11.6 HG LEU 2 - HE2 LYS 47 far 0 87 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 87 0 - 5.3-12.9 HG3 LYS 13 - HE3 LYS 12 far 0 97 0 - 5.4-10.6 HG13 ILE 52 - HE2 LYS 47 far 0 70 0 - 6.3-11.4 HB2 LEU 14 - HE3 LYS 13 far 0 62 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 65 0 - 7.3-9.7 HG13 ILE 52 - HE3 LYS 47 far 0 70 0 - 7.4-12.6 HG3 LYS 33 - HE3 LYS 12 far 0 94 0 - 7.5-12.5 HG2 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.3-11.8 HG3 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.5-11.8 HB2 LEU 38 - HE2 LYS 73 far 0 42 0 - 8.5-15.3 HG2 LYS 20 - HE3 LYS 12 far 0 65 0 - 9.0-14.6 HG2 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.1-15.2 HB2 LEU 38 - HE3 LYS 73 far 0 34 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 62 0 - 9.4-11.9 HG2 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.4-12.7 HG LEU 38 - HE2 LYS 73 far 0 48 0 - 9.5-14.8 HB ILE 7 - HE3 LYS 12 far 0 71 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 71 0 - 9.8-11.7 HB2 LEU 27 - HE3 LYS 24 far 0 62 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 57 0 - 9.9-14.9 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 34 assignments used, quality = 1.00: HG3 LYS 47 + HE2 LYS 47 OK 87 100 90 97 2.4-4.2 3.8=47, 2177/1.8=12...(77) * HG3 LYS 47 + HE3 LYS 47 OK 63 100 65 97 2.0-4.2 3.8=47, 2177/1.8=12...(77) HG2 LYS 24 + HE3 LYS 24 OK 56 58 100 95 2.4-3.7 3.7=49, 3.7/12306=13...(73) HG3 LYS 73 + HE2 LYS 73 OK 50 59 90 94 2.4-4.0 4.0=39, 3298/3.0=14...(77) HG2 LYS 24 + HE2 LYS 24 OK 50 58 90 94 2.0-3.9 3.7=49, 3.7/12306=13...(73) HG3 LYS 12 + HE3 LYS 12 OK 49 76 70 92 2.4-4.2 4.0=40, ~463=30, ~423=23...(36) HG3 LYS 73 + HE3 LYS 73 OK 30 48 65 94 2.3-4.2 4.0=39, 3298/3.0=14...(79) HD2 LYS 39 - HE2 LYS 73 far 7 48 15 - 2.5-10.1 HD3 LYS 39 - HE2 LYS 73 far 3 65 5 - 3.4-10.1 HD3 LYS 39 - HE3 LYS 73 far 3 53 5 - 3.2-10.4 HD2 LYS 39 - HE3 LYS 73 far 0 39 0 - 4.0-10.2 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 67 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 63 0 - 6.2-13.7 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 79 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 96 0 - 8.2-13.0 HG LEU 27 - HE2 LYS 24 far 0 79 0 - 8.5-11.7 HG2 LYS 68 - HE2 LYS 73 far 0 64 0 - 8.9-13.5 HG3 LYS 90 - HE2 LYS 13 far 0 52 0 - 9.0-15.4 HB ILE 76 - HE3 LYS 73 far 0 50 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 62 0 - 9.3-12.8 HG3 LYS 90 - HE2 LYS 24 far 0 55 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 79 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 96 0 - 9.6-12.9 HG LEU 27 - HE3 LYS 24 far 0 79 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 76 0 - 9.7-14.1 HD2 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.8-14.9 HG3 LYS 90 - HE3 LYS 24 far 0 55 0 - 9.8-13.3 HG2 LYS 68 - HE3 LYS 73 far 0 52 0 - 9.9-13.9 HG2 ARG 19 - HE3 LYS 24 far 0 57 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 57 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 76 0 - 9.9-14.5 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 63 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(46) HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(50) * HD2 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.2-3.0 3.0=61, 3.0/2177=6...(50) HD3 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.3-3.0 3.0=61, 3.0/2176=6...(45) HD2 LYS 24 + HE3 LYS 24 OK 78 90 100 88 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE3 LYS 24 OK 78 89 100 88 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE2 LYS 24 OK 77 89 100 87 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 12 + HE3 LYS 12 OK 73 88 100 84 2.3-3.0 3.0=60, ~463=13, ~423=11...(27) HD3 LYS 12 + HE3 LYS 12 OK 73 88 100 84 2.2-3.0 3.0=60, ~463=13, ~423=11...(27) HD2 LYS 13 + HE2 LYS 13 OK 72 82 100 88 2.4-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 70 79 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 69 78 100 88 2.2-3.0 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 60 71 100 84 2.3-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 59 69 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 49 58 100 84 2.2-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 48 57 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 39 - HE2 LYS 73 far 9 57 15 - 2.5-10.1 HD3 LYS 39 - HE2 LYS 73 far 2 38 5 - 3.4-10.1 HD3 LYS 39 - HE3 LYS 73 far 2 30 5 - 3.2-10.4 HD2 LYS 39 - HE3 LYS 73 far 0 46 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 4.3-11.4 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 4.5-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 85 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.0-11.4 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 66 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 89 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 88 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 35 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 94 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 44 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 54 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 63 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 86 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-12.0 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 82 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 82 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 6.6-14.0 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.7-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 91 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 91 0 - 7.4-14.4 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 8.0-13.0 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-15.0 HG2 LYS 68 - HE2 LYS 73 far 0 39 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 86 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 89 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 34 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 42 0 - 9.3-12.8 HD2 LYS 68 - HE3 LYS 73 far 0 44 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 31 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 10.0-14.9 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 61 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(46) HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-3.0 3.0=61, 3.0/2177=6...(50) HD2 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.2-3.0 3.0=61, 3.0/2177=6...(50) * HD3 LYS 47 + HE3 LYS 47 OK 85 100 100 85 2.3-3.0 3.0=61, 3.0/2177=6...(45) HD2 LYS 24 + HE3 LYS 24 OK 79 90 100 88 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 24 + HE2 LYS 24 OK 79 90 100 87 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE3 LYS 24 OK 78 90 100 88 2.4-3.0 3.0=61, 4.9/12306=6...(53) HD3 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.2-3.0 3.0=61, 4.9/12306=6...(53) HD2 LYS 12 + HE3 LYS 12 OK 74 89 100 84 2.3-3.0 3.0=60, ~463=13, ~423=11...(27) HD3 LYS 12 + HE3 LYS 12 OK 74 89 100 84 2.2-3.0 3.0=60, ~463=13, ~423=11...(27) HD2 LYS 13 + HE2 LYS 13 OK 73 83 100 88 2.4-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 71 80 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 70 80 100 88 2.2-3.0 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 59 70 100 84 2.3-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 58 68 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 48 58 100 84 2.2-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 47 56 100 85 2.2-3.0 3.0=60, 3298/4.0=8...(45) HD2 LYS 39 - HE2 LYS 73 far 8 55 15 - 2.5-10.1 HD2 LYS 39 - HE3 LYS 73 far 0 45 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 94 0 - 4.3-11.4 HG3 LYS 20 - HE2 LYS 24 far 0 94 0 - 4.5-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 87 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 94 0 - 5.0-11.4 HD3 LYS 12 - HE3 LYS 13 far 0 80 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 67 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 90 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 89 0 - 5.4-12.0 HB3 LEU 70 - HE3 LYS 73 far 0 36 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 95 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 45 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 55 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 87 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-12.0 HD3 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 83 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 80 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 83 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 6.6-14.0 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.7-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 92 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 52 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 92 0 - 7.4-14.4 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 8.0-13.0 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-15.0 HG2 LYS 68 - HE2 LYS 73 far 0 38 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 87 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 90 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 33 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 41 0 - 9.3-12.8 HD2 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 30 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 10.0-14.9 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 10 assignments used, quality = 0.96: H GLU 48 + HE2 LYS 47 OK 80 100 80 100 4.0-6.4 6783/4.9=64, 2144/4.9=64...(13) * H GLU 48 + HE3 LYS 47 OK 80 100 80 100 4.4-6.8 6783/4.9=64, 2144/4.9=64...(13) H GLU 44 - HE2 LYS 47 far 10 97 10 - 5.7-9.5 HD22 ASN 10 - HE3 LYS 12 far 10 96 10 - 4.6-11.5 H GLU 44 - HE3 LYS 47 far 5 97 5 - 4.5-10.1 HE22 GLN 50 - HE3 LYS 47 far 0 99 0 - 7.8-14.0 HE22 GLN 50 - HE2 LYS 47 far 0 99 0 - 7.9-14.4 H LYS 40 - HE2 LYS 73 far 0 67 0 - 9.0-15.0 H LYS 40 - HE3 LYS 73 far 0 55 0 - 9.8-15.3 HD22 ASN 10 - HE3 LYS 13 far 0 87 0 - 9.8-16.2 Violated in 4 structures by 0.01 A. Peak 2223 from cnoeabs.peaks (7.62, 4.43, 55.95 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 48 + HA GLU 48 OK 100 100 100 100 2.9-2.9 3.0=100 HE22 GLN 50 - HA GLU 48 poor 20 99 20 - 2.1-8.4 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 2.2-2.8 3.0=100 HG2 GLU 48 + HA GLU 48 OK 66 68 100 98 2.2-3.9 4.1=47, 1.8/2228=34...(22) Violated in 0 structures by 0.00 A. Peak 2226 from cnoeabs.peaks (2.05, 4.43, 55.95 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLN 50 - HA GLU 48 far 4 87 5 - 4.3-6.1 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 99 100 100 99 2.2-3.9 4.1=54, 1.8/2228=38...(22) HB2 GLU 48 + HA GLU 48 OK 68 68 100 100 2.2-2.8 3.0=100 HG3 GLU 44 - HA GLU 48 far 0 92 0 - 7.7-11.4 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (2.43, 4.43, 55.95 ppm; 3.86 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.7-3.9 4.1=81, 6794/3.0=57...(21) HG3 GLN 50 + HA GLU 48 OK 28 100 45 63 3.2-6.7 5.1/12314=31, 2306=12...(7) HG2 GLN 50 + HA GLU 48 OK 24 79 50 61 3.4-7.3 5.1/12314=31...(7) HG3 MET 1 - HA GLU 48 far 0 99 0 - 8.2-12.7 Violated in 0 structures by 0.00 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 2.2-3.6 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): 1 out of 2 assignments used, quality = 1.00: * H GLU 48 + HB2 GLU 48 OK 100 100 100 100 3.4-3.9 6792/1.8=90, 4.0=86...(17) HE22 GLN 50 - HB2 GLU 48 poor 20 99 20 - 3.6-9.7 Violated in 1 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (4.43, 2.30, 29.70 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.2-2.8 3.0=100 HA GLN 50 - HB2 GLU 48 far 0 77 0 - 5.0-7.0 HA LEU 2 - HB2 GLU 48 far 0 68 0 - 6.7-9.1 HA ILE 76 - HB2 GLU 48 far 0 100 0 - 8.9-11.5 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): 1 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 far 4 87 5 - 3.5-6.6 HG3 GLU 28 - HB2 GLU 48 far 0 96 0 - 8.5-13.5 HG2 GLU 28 - HB2 GLU 48 far 0 96 0 - 9.7-13.5 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 2.4-3.0 3.0=100 HG3 GLN 50 - HB2 GLU 48 far 10 100 10 - 2.2-7.0 HG2 GLN 50 - HB2 GLU 48 far 8 79 10 - 3.2-7.1 HG3 MET 1 - HB2 GLU 48 far 0 99 0 - 6.5-10.2 HB3 TYR 4 - HB2 GLU 48 far 0 79 0 - 8.8-11.7 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 2.9-4.6 4.6=91, 6800/1.8=83...(16) Violated in 7 structures by 0.02 A. Peak 2237 from cnoeabs.peaks (7.62, 2.05, 29.70 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.1-3.1 6792=100, 2230/1.8=63...(16) HE22 GLN 50 - HB3 GLU 48 far 0 99 0 - 4.7-10.1 H GLU 44 - HB3 GLU 48 far 0 97 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 2238 from cnoeabs.peaks (4.43, 2.05, 29.70 ppm; 3.80 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLN 50 - HB3 GLU 48 far 0 77 0 - 5.5-7.5 HB THR 84 - HB3 GLU 88 far 0 29 0 - 6.0-8.5 HA LEU 2 - HB3 GLU 48 far 0 68 0 - 6.9-9.1 HA ALA 25 - HB2 GLU 98 far 0 56 0 - 7.5-10.0 HA ILE 76 - HB3 GLU 48 far 0 100 0 - 8.4-10.7 HA ALA 25 - HB3 GLU 98 far 0 56 0 - 8.4-10.8 HA HIS 106 - HB3 GLU 99 far 0 55 0 - 9.9-19.1 HA LEU 2 - HB2 GLU 99 far 0 41 0 - 10.0-14.0 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 11 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 2.2-3.0 3.0=77, 1.8/2254=24...(16) HG2 GLU 95 - HB2 GLU 98 poor 9 44 20 - 3.5-6.5 HG2 GLU 95 - HB3 GLU 98 far 0 44 0 - 4.3-8.1 HG2 GLU 95 - HB2 GLU 99 far 0 51 0 - 5.0-8.3 HG2 GLU 95 - HB3 GLU 99 far 0 48 0 - 5.2-8.8 HD3 ARG 81 - HB3 GLU 88 far 0 29 0 - 6.5-11.9 HB2 TYR 4 - HB3 GLU 48 far 0 100 0 - 7.4-9.4 HG2 GLU 95 - HB3 GLU 88 far 0 21 0 - 8.3-12.5 HD3 ARG 81 - HB2 GLU 99 far 0 68 0 - 9.4-14.2 HD3 ARG 81 - HB3 GLU 99 far 0 64 0 - 9.9-14.3 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 6 assignments used, quality = 1.00: * HG2 GLU 48 + HB3 GLU 48 OK 99 100 100 99 2.2-3.0 3.0=94, 716/1.8=35...(17) 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 - 5.6-10.9 HD3 ARG 81 - HB3 GLU 88 far 0 22 0 - 6.5-11.9 HD3 ARG 81 - HB2 GLU 99 far 0 54 0 - 9.4-14.2 HD3 ARG 81 - HB3 GLU 99 far 0 50 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 2242 from cnoeabs.peaks (2.43, 2.05, 29.70 ppm; 3.34 A): 3 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 2.2-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 64 64 100 100 2.4-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 poor 15 60 25 - 3.4-6.1 HG3 GLN 50 - HB3 GLU 48 far 5 100 5 - 3.7-8.2 HG3 GLU 99 - HB3 GLU 98 far 3 59 5 - 3.9-7.1 HG2 GLN 50 - HB3 GLU 48 far 0 79 0 - 4.9-8.1 HG3 MET 1 - HB3 GLU 48 far 0 99 0 - 7.4-10.7 HG3 MET 1 - HB2 GLU 99 far 0 67 0 - 7.6-13.0 HB3 TYR 4 - HB3 GLU 48 far 0 79 0 - 7.7-10.4 HG3 MET 1 - HB3 GLU 99 far 0 63 0 - 7.9-12.6 HB3 MET 21 - HB2 GLU 98 far 0 41 0 - 9.3-12.9 HG3 MET 21 - HB3 GLU 88 far 0 20 0 - 9.4-11.5 HG3 GLU 17 - HB3 GLU 88 far 0 31 0 - 9.4-13.1 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 2 assignments used, quality = 1.00: * H SER 49 + HB3 GLU 48 OK 100 100 100 100 2.0-4.3 6800=100, 6798/3.0=82...(14) H ALA 25 - HB2 GLU 98 far 0 56 0 - 9.9-11.5 Violated in 0 structures by 0.00 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 1.9-3.6 6794/1.8=74, 6792/3.0=70...(16) H GLU 44 + HG3 GLU 44 OK 77 77 100 100 2.4-4.5 6713/1.8=74, 6714=57...(20) HE22 GLN 50 - HG2 GLU 48 far 5 99 5 - 4.4-11.9 H GLU 48 - HG3 GLU 44 far 0 83 0 - 5.4-8.8 H LYS 40 - HG3 GLU 44 far 0 74 0 - 7.1-11.1 H GLU 44 - HG2 GLU 48 far 0 97 0 - 7.9-10.2 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 6 assignments used, quality = 1.00: * HA GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.2-3.9 4.1=100 HA LEU 2 - HG2 GLU 48 far 0 68 0 - 7.1-10.1 HA GLN 50 - HG2 GLU 48 far 0 77 0 - 7.4-8.7 HA GLU 48 - HG3 GLU 44 far 0 83 0 - 7.7-11.4 HA MET 21 - HG2 GLU 16 far 0 74 0 - 9.3-12.1 HA ILE 76 - HG2 GLU 48 far 0 100 0 - 9.7-12.2 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 15 assignments used, quality = 1.00: * HB3 GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 16 + HG2 GLU 16 OK 60 60 100 100 2.8-3.0 3.0=100 HB3 GLU 43 - HG3 GLU 44 poor 5 74 30 23 3.3-6.9 6707/4.8=21, 700=2 HB3 GLU 48 - HG3 GLU 44 far 0 83 0 - 5.6-10.9 HB2 GLN 50 - HG2 GLU 48 far 0 87 0 - 5.8-8.7 HG2 GLU 28 - HG3 GLU 44 far 0 75 0 - 7.2-12.7 HG3 GLU 28 - HG2 GLU 48 far 0 96 0 - 8.0-13.2 HB3 GLU 35 - HG3 GLU 69 far 0 61 0 - 8.3-11.7 HB2 MET 21 - HG2 GLU 16 far 0 82 0 - 8.3-12.0 HG3 GLU 28 - HG3 GLU 44 far 0 75 0 - 8.8-12.7 HG2 GLU 28 - HG2 GLU 48 far 0 96 0 - 9.4-13.0 HB2 MET 74 - HG3 GLU 44 far 0 76 0 - 9.5-12.3 HG12 ILE 93 - HG2 GLU 16 far 0 80 0 - 9.7-13.5 HB3 GLU 43 - HG2 GLU 48 far 0 95 0 - 9.7-12.3 HB3 LEU 38 - HG3 GLU 69 far 0 74 0 - 9.8-12.9 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 HG3 GLU 17 - HG2 GLU 16 far 8 83 10 - 2.9-7.4 HG3 GLN 50 - HG2 GLU 48 far 0 100 0 - 5.0-8.9 HG2 GLN 72 - HG3 GLU 69 far 0 92 0 - 5.1-7.7 HG3 GLU 48 - HG3 GLU 44 far 0 83 0 - 5.3-10.7 HG2 GLN 50 - HG2 GLU 48 far 0 79 0 - 6.0-9.0 HB3 TYR 4 - HG3 GLU 44 far 0 58 0 - 7.2-10.5 HG3 MET 21 - HG2 GLU 16 far 0 58 0 - 7.9-12.5 HB3 MET 21 - HG2 GLU 16 far 0 57 0 - 8.0-12.4 HB3 TYR 4 - HG2 GLU 48 far 0 79 0 - 8.1-11.9 HB2 ASP 11 - HG2 GLU 16 far 0 82 0 - 8.3-10.0 HG3 MET 1 - HG2 GLU 48 far 0 99 0 - 9.0-12.3 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 3.7-4.9 6800/3.0=75, 6798/4.1=73...(13) H SER 49 - HG3 GLU 44 far 0 83 0 - 7.5-11.2 H MET 74 - HG3 GLU 69 far 0 80 0 - 8.5-9.2 H LEU 64 - HG3 GLU 69 far 0 91 0 - 8.9-10.3 Violated in 2 structures by 0.01 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 2.0-3.9 6794=100, 6792/3.0=76...(18) HE22 GLN 50 - HG3 GLU 48 far 0 99 0 - 5.6-11.4 H GLU 44 - HG3 GLU 48 far 0 97 0 - 7.9-10.6 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 6 assignments used, quality = 1.00: * HA GLU 48 + HG3 GLU 48 OK 100 100 100 100 2.7-3.9 4.1=100 HA LEU 2 - HG3 GLU 48 far 0 68 0 - 6.4-9.5 HA GLN 50 - HG3 GLU 48 far 0 77 0 - 7.3-9.1 HA MET 21 - HG3 GLU 17 far 0 75 0 - 8.3-10.0 HA HIS 106 - HG3 GLU 99 far 0 67 0 - 9.2-18.8 HA ILE 76 - HG3 GLU 48 far 0 100 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2253 from cnoeabs.peaks (2.30, 2.43, 35.74 ppm; 2.46 A): 2 out of 7 assignments used, quality = 0.98: * HB2 GLU 48 + HG3 GLU 48 OK 93 100 100 93 2.4-3.0 3.0=54, 716/1.8=27...(19) 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 - 3.0-6.8 HG2 GLU 95 - HG3 GLU 99 far 0 59 0 - 3.9-7.3 HB2 TYR 4 - HG3 GLU 48 far 0 100 0 - 7.8-11.1 HD3 ARG 81 - HG3 GLU 99 far 0 77 0 - 9.9-12.6 HG2 GLU 23 - HG3 GLU 17 far 0 61 0 - 10.0-13.1 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...(19) HB2 GLU 99 + HG3 GLU 99 OK 78 79 100 98 2.2-3.0 3.0=90, ~4402=18...(19) HB3 GLU 99 + HG3 GLU 99 OK 75 77 100 98 2.4-3.0 3.0=90, ~4402=18...(17) HB2 GLU 98 - HG3 GLU 99 poor 16 79 20 - 3.4-6.1 HB3 GLU 98 - HG3 GLU 99 far 0 79 0 - 3.9-7.1 HB2 GLU 16 - HG3 GLU 17 far 0 61 0 - 4.2-6.3 HB2 GLN 50 - HG3 GLU 48 far 0 87 0 - 6.3-8.9 HB3 LYS 94 - HG3 GLU 99 far 0 61 0 - 7.4-11.5 HB2 MET 21 - HG3 GLU 17 far 0 84 0 - 7.5-9.9 HG3 GLU 28 - HG3 GLU 48 far 0 96 0 - 7.6-13.4 HG2 GLU 28 - HG3 GLU 48 far 0 96 0 - 8.4-12.3 HG12 ILE 93 - HG3 GLU 99 far 0 77 0 - 8.9-13.7 HG12 ILE 93 - HG3 GLU 17 far 0 81 0 - 9.1-12.0 HB3 GLU 88 - HG3 GLU 17 far 0 58 0 - 9.4-13.1 HB3 GLU 43 - HG3 GLU 48 far 0 95 0 - 9.7-12.9 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 6 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 60 68 100 89 2.4-3.0 3.0=52, 1.8/2254=19...(18) HG2 GLU 16 - HG3 GLU 17 far 8 83 10 - 2.9-7.4 HG3 GLU 16 - HG3 GLU 17 far 2 50 5 - 3.0-6.8 HG3 GLU 44 - HG3 GLU 48 far 0 92 0 - 5.3-10.7 HD3 ARG 81 - HG3 GLU 99 far 0 61 0 - 9.9-12.6 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 3.7-5.9 2250/1.8=99...(14) H SER 85 - HG3 GLU 17 far 0 47 0 - 8.4-13.0 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 2 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 - 8.0-9.9 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 2.2-3.0 3.0=100 HA ARG 46 + HA SER 49 OK 21 96 30 73 3.8-5.1 10174/3.0=34...(9) 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 2.5-3.0 3.0=100 HA GLU 43 - HA SER 49 far 0 84 0 - 8.4-10.2 HA ALA 71 - HA SER 49 far 0 99 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (8.55, 4.24, 59.37 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 50 + HA SER 49 OK 99 100 100 99 2.9-3.5 3.6=99 H ASN 51 - HA SER 49 poor 19 97 20 - 3.6-5.8 H LEU 2 - HA SER 49 far 0 59 0 - 7.8-10.0 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 3.1-3.9 3.9=100 H VAL 78 - HB2 SER 49 far 0 79 0 - 7.6-12.6 H MET 74 - HB2 SER 49 far 0 91 0 - 9.0-13.5 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 2.2-3.0 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 - 7.6-10.3 HA ALA 71 - HB2 SER 49 far 0 99 0 - 8.2-13.8 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (8.55, 4.06, 63.12 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 50 + HB2 SER 49 OK 100 100 100 100 3.8-4.6 4.3=100 H ASN 51 - HB2 SER 49 far 10 97 10 - 5.1-7.0 H LEU 2 - HB2 SER 49 far 0 59 0 - 9.8-11.8 Violated in 4 structures by 0.03 A. Peak 2268 from cnoeabs.peaks (7.72, 3.86, 63.12 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H SER 49 + HB3 SER 49 OK 100 100 100 100 2.1-3.2 3.9=100 H VAL 78 - HB3 SER 49 far 0 79 0 - 9.1-11.8 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 2.5-3.0 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 42 96 65 67 2.6-4.4 10174=28, 9025/9071=13...(12) 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 2 assignments used, quality = 1.00: * H GLN 50 + HB3 SER 49 OK 100 100 100 100 3.0-4.6 4.3=100 H ASN 51 - HB3 SER 49 far 5 97 5 - 5.3-7.8 Violated in 4 structures by 0.01 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 2.7-2.9 3.0=100 H ASN 51 + HA GLN 50 OK 97 97 100 100 2.1-3.6 3.6=94, 6830/3.0=41...(13) H LEU 2 - HA GLN 50 far 0 59 0 - 7.4-9.9 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 3 assignments used, quality = 1.00: * HB2 GLN 50 + HA GLN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 48 - HA GLN 50 far 0 87 0 - 5.5-7.5 HB3 MET 1 - HA GLN 50 far 0 91 0 - 7.8-12.1 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 4 assignments used, quality = 1.00: * HB3 GLN 50 + HA GLN 50 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 MET 1 - HA GLN 50 far 0 87 0 - 6.9-10.3 HB2 GLU 75 - HA GLN 50 far 0 59 0 - 8.9-13.1 HB3 GLU 75 - HA GLN 50 far 0 96 0 - 9.1-13.1 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 2.3-3.9 3.7=100 HG3 GLN 50 + HA GLN 50 OK 75 75 100 100 2.3-3.8 3.7=100 HG3 MET 1 - HA GLN 50 far 0 94 0 - 7.2-10.0 HG3 GLU 48 - HA GLN 50 far 0 79 0 - 7.3-9.1 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 2.3-3.8 3.7=99 HG2 GLN 50 + HA GLN 50 OK 75 75 100 99 2.3-3.9 3.7=99 HG3 MET 1 - HA GLN 50 far 0 98 0 - 7.2-10.0 HG3 GLU 48 - HA GLN 50 far 0 100 0 - 7.3-9.1 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 2.7-2.9 3.0=100 H LEU 2 - HA GLN 50 far 0 85 0 - 7.4-9.9 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 4 assignments used, quality = 1.00: * H GLN 50 + HB2 GLN 50 OK 98 100 100 98 2.8-3.9 4.0=77, 6814/1.8=68...(9) H ASN 51 + HB2 GLN 50 OK 95 97 100 98 3.4-4.3 6829=65, 6830/1.8=58...(14) H LEU 2 - HB2 GLN 50 far 0 59 0 - 6.3-9.5 H LYS 12 - HB3 GLU 17 far 0 82 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (4.40, 2.02, 28.95 ppm; 3.56 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 48 - HB2 GLN 50 far 4 77 5 - 4.3-6.1 HA SER 102 - HB3 GLU 98 far 0 38 0 - 6.2-13.0 HA SER 102 - HB2 GLU 98 far 0 37 0 - 7.4-12.6 HA ALA 25 - HB2 GLU 98 far 0 39 0 - 7.5-10.0 HA MET 21 - HB3 GLU 17 far 0 82 0 - 7.6-9.1 HA GLU 48 - HB3 GLU 44 far 0 33 0 - 8.4-10.6 HA ALA 25 - HB3 GLU 98 far 0 40 0 - 8.4-10.8 HA GLU 48 - HB2 GLU 44 far 0 33 0 - 9.0-10.9 HA ILE 76 - HB2 GLN 50 far 0 77 0 - 9.6-12.4 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 14 assignments used, quality = 1.00: * HB3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 95 - HB2 GLU 98 far 0 38 0 - 3.6-7.6 HB2 GLU 95 - HB2 GLU 98 far 0 28 0 - 4.1-6.8 HB3 GLU 16 - HB3 GLU 17 far 0 85 0 - 4.7-6.4 HG3 PRO 86 - HB3 GLU 17 far 0 74 0 - 4.7-6.6 HB3 GLU 95 - HB3 GLU 98 far 0 40 0 - 4.7-7.2 HB2 GLU 95 - HB3 GLU 98 far 0 29 0 - 5.2-7.7 HG2 GLU 43 - HB2 GLU 44 far 0 47 0 - 6.2-7.4 HG2 MET 1 - HB2 GLN 50 far 0 87 0 - 6.4-10.0 HG2 GLU 43 - HB3 GLU 44 far 0 47 0 - 6.6-8.1 HG2 GLU 104 - HB3 GLU 98 far 0 31 0 - 9.1-17.1 HG2 GLU 88 - HB3 GLU 17 far 0 56 0 - 9.2-12.0 HG2 GLU 104 - HB2 GLU 98 far 0 30 0 - 9.6-16.4 HG2 MET 1 - HB2 GLU 98 far 0 33 0 - 10.0-13.9 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 13 assignments used, quality = 1.00: * HG2 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.3-3.0 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 5 21 25 - 3.4-6.1 HG3 GLU 99 - HB3 GLU 98 far 1 22 5 - 3.9-7.1 HG3 MET 21 - HB3 GLU 17 far 0 87 0 - 5.2-8.0 HB3 MET 21 - HB3 GLU 17 far 0 87 0 - 5.4-9.1 HG3 GLU 48 - HB3 GLU 44 far 0 34 0 - 5.6-9.1 HG3 GLU 48 - HB2 GLN 50 far 0 79 0 - 6.3-8.9 HG3 MET 1 - HB2 GLN 50 far 0 94 0 - 6.4-10.2 HG3 GLU 48 - HB2 GLU 44 far 0 34 0 - 6.5-10.3 HB2 ASP 11 - HB3 GLU 17 far 0 58 0 - 8.6-10.0 HB3 MET 21 - HB2 GLU 98 far 0 43 0 - 9.3-12.9 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 15 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 2.3-3.0 2.9=100 HG3 GLU 99 - HB2 GLU 98 poor 11 42 25 - 3.4-6.1 HG3 GLU 99 - HB3 GLU 98 far 2 44 5 - 3.9-7.1 HG3 MET 21 - HB3 GLU 17 far 0 59 0 - 5.2-8.0 HB3 MET 21 - HB3 GLU 17 far 0 58 0 - 5.4-9.1 HG3 GLU 48 - HB3 GLU 44 far 0 51 0 - 5.6-9.1 HB3 TYR 4 - HB2 GLU 44 far 0 36 0 - 6.3-10.0 HG3 GLU 48 - HB2 GLN 50 far 0 100 0 - 6.3-8.9 HG3 MET 1 - HB2 GLN 50 far 0 98 0 - 6.4-10.2 HG3 GLU 48 - HB2 GLU 44 far 0 51 0 - 6.5-10.3 HB3 TYR 4 - HB3 GLU 44 far 0 36 0 - 7.4-10.1 HB2 ASP 11 - HB3 GLU 17 far 0 87 0 - 8.6-10.0 HB3 MET 21 - HB2 GLU 98 far 0 26 0 - 9.3-12.9 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 5 assignments used, quality = 1.00: * H ASN 51 + HB2 GLN 50 OK 99 100 100 99 3.4-4.3 6829=67, 6830/1.8=61...(14) H GLN 50 + HB2 GLN 50 OK 95 97 100 98 2.8-3.9 4.0=77, 6814/1.8=65...(10) H LEU 2 - HB2 GLN 50 far 0 85 0 - 6.3-9.5 H LYS 12 - HB3 GLU 17 far 0 64 0 - 8.8-10.4 H THR 31 - HB2 GLU 44 far 0 25 0 - 9.7-12.5 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 2.2-3.4 6814=96, 6813/1.8=61...(10) H ASN 51 + HB3 GLN 50 OK 96 97 100 99 2.2-4.5 6830=75, 6829/1.8=62...(9) H LEU 2 - HB3 GLN 50 far 0 59 0 - 6.0-9.4 H LYS 12 - HB3 GLU 16 far 0 75 0 - 7.3-8.8 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 2.4-3.0 3.0=100 HA GLU 48 + HB3 GLN 50 OK 30 77 85 46 3.5-5.3 12314/6814=25...(6) HA MET 21 - HB3 GLU 23 far 0 62 0 - 4.6-5.5 HA ALA 25 - HB3 GLU 23 far 0 61 0 - 7.3-7.7 HA ILE 76 - HB3 GLN 50 far 0 77 0 - 9.1-11.8 HA MET 21 - HB3 GLU 16 far 0 75 0 - 9.2-11.0 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 7 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 far 0 87 0 - 4.5-6.4 HB3 GLU 17 - HB3 GLU 16 far 0 72 0 - 4.7-6.4 HB2 MET 21 - HB3 GLU 23 far 0 48 0 - 6.3-6.9 HB3 MET 1 - HB3 GLN 50 far 0 91 0 - 7.0-11.4 HB2 MET 21 - HB3 GLU 16 far 0 59 0 - 8.3-10.7 HG12 ILE 93 - HB3 GLU 23 far 0 62 0 - 8.6-11.2 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 20 56 35 - 3.2-6.8 HG3 GLU 48 - HB3 GLN 50 far 0 79 0 - 5.0-7.6 HB3 MET 21 - HB3 GLU 23 far 0 67 0 - 6.0-7.1 HG3 MET 21 - HB3 GLU 23 far 0 67 0 - 6.7-8.4 HG3 MET 1 - HB3 GLN 50 far 0 94 0 - 6.9-10.2 HG3 MET 21 - HB3 GLU 16 far 0 80 0 - 8.1-11.1 HB3 MET 21 - HB3 GLU 16 far 0 80 0 - 8.2-11.4 HB2 ASP 11 - HB3 GLU 16 far 0 52 0 - 9.2-11.2 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 15 80 40 45 3.2-6.8 6258/6251=43, 4429/494=3 HG3 GLU 48 - HB3 GLN 50 far 0 100 0 - 5.0-7.6 HB3 MET 21 - HB3 GLU 23 far 0 42 0 - 6.0-7.1 HG3 MET 21 - HB3 GLU 23 far 0 43 0 - 6.7-8.4 HG3 MET 1 - HB3 GLN 50 far 0 98 0 - 6.9-10.2 HG3 MET 21 - HB3 GLU 16 far 0 53 0 - 8.1-11.1 HB3 MET 21 - HB3 GLU 16 far 0 52 0 - 8.2-11.4 HB2 ASP 11 - HB3 GLU 16 far 0 80 0 - 9.2-11.2 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 2.2-4.5 6830=78, 6829/1.8=64...(9) H GLN 50 + HB3 GLN 50 OK 97 97 100 100 2.2-3.4 6814=92, 6813/1.8=58...(10) H LEU 2 - HB3 GLN 50 far 0 85 0 - 6.0-9.4 H LYS 12 - HB3 GLU 16 far 0 58 0 - 7.3-8.8 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 99 100 100 99 2.3-4.8 6814/2.9=66, 6815=56...(12) H ASN 51 + HG2 GLN 50 OK 91 97 95 99 2.4-5.5 6830/2.9=58, 6829/2.9=57...(10) H LEU 2 - HG2 GLN 50 far 0 59 0 - 6.2-10.8 Violated in 0 structures by 0.00 A. Peak 2298 from cnoeabs.peaks (4.40, 2.40, 33.91 ppm; 3.99 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.3-3.9 3.7=100 HA GLU 48 + HG2 GLN 50 OK 27 77 60 59 3.4-7.3 12314/5.1=24...(7) HA ILE 76 - HG2 GLN 72 far 0 47 0 - 7.1-9.1 HA MET 74 - HG2 GLN 72 far 0 70 0 - 8.4-9.4 HA ILE 76 - HG2 GLN 50 far 0 77 0 - 9.0-11.7 HA HIS 106 - HG2 GLN 72 far 0 69 0 - 9.4-22.0 HA ARG 81 - HG2 GLN 72 far 0 39 0 - 9.7-13.0 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 2.3-3.0 2.9=100 HB3 GLU 48 - HG2 GLN 50 far 0 87 0 - 4.9-8.1 HB3 MET 1 - HG2 GLN 50 far 0 91 0 - 6.7-13.1 HB2 MET 74 - HG2 GLN 72 far 0 35 0 - 7.2-10.0 QE MET 74 - HG2 GLN 72 far 0 58 0 - 7.6-9.8 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 7 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 2.5-3.0 3.0=100 HG2 MET 1 - HG2 GLN 50 far 0 87 0 - 6.0-12.3 HG2 GLU 75 - HG2 GLN 72 far 0 71 0 - 6.1-9.1 HB2 GLU 75 - HG2 GLN 72 far 0 35 0 - 7.0-9.8 HG3 GLU 75 - HG2 GLN 72 far 0 71 0 - 7.1-10.3 HB3 GLU 75 - HG2 GLN 72 far 0 65 0 - 8.0-10.2 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 GLN 50 + HG2 GLN 50 OK 96 97 100 99 2.3-4.8 6814/2.9=63, 6815=54...(12) * H ASN 51 + HG2 GLN 50 OK 94 100 95 99 2.4-5.5 6830/2.9=61, 6829/2.9=60...(11) H LEU 2 - HG2 GLN 50 far 0 85 0 - 6.2-10.8 H ARG 79 - HG2 GLN 72 far 0 41 0 - 7.4-10.7 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 2.2-4.3 6814/2.9=67, 6816=58...(12) H ASN 51 + HG3 GLN 50 OK 38 97 40 99 2.8-5.7 6830/2.9=60, 6829/2.9=59...(11) H LEU 2 - HG3 GLN 50 far 0 59 0 - 6.6-10.8 Violated in 0 structures by 0.00 A. Peak 2306 from cnoeabs.peaks (4.40, 2.43, 33.91 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.3-3.8 3.7=100 HA GLU 48 + HG3 GLN 50 OK 20 77 45 58 3.2-6.7 12314/5.1=22...(7) HA ILE 76 - HG2 GLN 72 far 0 72 0 - 7.1-9.1 HA MET 74 - HG2 GLN 72 far 0 97 0 - 8.4-9.4 HA ILE 76 - HG3 GLN 50 far 0 77 0 - 9.4-12.6 HA HIS 106 - HG2 GLN 72 far 0 96 0 - 9.4-22.0 HA ARG 81 - HG2 GLN 72 far 0 61 0 - 9.7-13.0 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 4 87 5 - 3.7-8.2 HB3 MET 1 - HG3 GLN 50 far 0 91 0 - 5.8-12.9 HB2 MET 74 - HG2 GLN 72 far 0 55 0 - 7.2-10.0 QE MET 74 - HG2 GLN 72 far 0 85 0 - 7.6-9.8 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 7 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 2.5-3.0 3.0=100 HG2 MET 1 - HG3 GLN 50 far 0 87 0 - 6.0-12.4 HG2 GLU 75 - HG2 GLN 72 far 0 98 0 - 6.1-9.1 HB2 GLU 75 - HG2 GLN 72 far 0 55 0 - 7.0-9.8 HG3 GLU 75 - HG2 GLN 72 far 0 98 0 - 7.1-10.3 HB3 GLU 75 - HG2 GLN 72 far 0 92 0 - 8.0-10.2 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 = 0.98: H GLN 50 + HG3 GLN 50 OK 96 97 100 99 2.2-4.3 6814/2.9=64, 6816=56...(13) * H ASN 51 + HG3 GLN 50 OK 40 100 40 99 2.8-5.7 6830/2.9=62, 6829/2.9=61...(11) H LEU 2 - HG3 GLN 50 far 0 85 0 - 6.6-10.8 H ARG 79 - HG2 GLN 72 far 0 63 0 - 7.4-10.7 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (8.53, 4.98, 52.80 ppm; 3.83 A): 1 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 far 0 85 0 - 5.0-6.8 H GLN 50 - HA ASN 51 far 0 97 0 - 5.1-6.3 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 2 assignments used, quality = 1.00: * HB2 ASN 51 + HA ASN 51 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 PHE 45 - HA ASN 51 far 0 91 0 - 8.7-10.4 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 3.0-3.0 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 1.9-4.5 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 1 assignment used, quality = 1.00: * H ILE 52 + HA ASN 51 OK 100 100 100 100 2.8-3.1 6854=100, 6839/3.0=44...(6) Violated in 0 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 3.5-4.1 6835=100, 6836/1.8=86...(11) H LEU 2 + HB2 ASN 51 OK 66 85 90 86 3.1-5.0 3.6/9131=42, 2327/1.8=30...(9) H GLN 50 - HB2 ASN 51 far 0 97 0 - 6.2-7.3 Violated in 0 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 2.4-2.7 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 3.5-4.1 3.5=100 QE PHE 96 - HB2 ASN 51 far 0 92 0 - 8.8-9.8 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 2.2-3.5 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 4.3-4.5 6855=100, 6854/3.0=84...(11) Violated in 15 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 2.4-3.6 6836=100, 6835/1.8=71...(10) H LEU 2 + HB3 ASN 51 OK 60 85 85 82 3.5-5.0 3.6/8006=35, 2320/1.8=27...(8) H GLN 50 - HB3 ASN 51 far 0 97 0 - 5.0-6.0 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 3.0-3.0 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 HB3 PHE 45 - HB3 ASN 51 far 0 91 0 - 9.3-10.7 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 - 9.3-10.9 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 2.1-3.5 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 3.9-4.2 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 3 assignments used, quality = 1.00: * H ILE 52 + HA ILE 52 OK 100 100 100 100 2.9-2.9 3.0=100 HZ2 TRP 92 - HA THR 80 far 0 69 0 - 8.0-11.1 H LYS 47 - HA ILE 52 far 0 90 0 - 8.3-9.5 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): 1 out of 12 assignments used, quality = 1.00: * HB ILE 52 + HA ILE 52 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 ARG 79 - HA THR 80 far 9 62 15 - 4.1-5.7 HB3 LYS 53 - HA ILE 52 far 0 96 0 - 4.4-4.8 HG2 LYS 68 - HA THR 80 far 0 49 0 - 4.7-7.6 HB2 LEU 2 - HA ILE 52 far 0 75 0 - 4.9-6.1 HD3 LYS 68 - HA THR 80 far 0 60 0 - 5.0-8.0 HB3 LEU 6 - HA THR 80 far 0 56 0 - 6.3-9.4 HD2 LYS 68 - HA THR 80 far 0 60 0 - 6.5-8.9 HB ILE 76 - HA ILE 52 far 0 84 0 - 8.5-10.7 HD2 LYS 47 - HA ILE 52 far 0 99 0 - 8.9-13.0 HD3 LYS 47 - HA ILE 52 far 0 99 0 - 9.2-13.8 HB3 ARG 79 - HA ILE 52 far 0 96 0 - 9.9-13.0 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 23 assignments used, quality = 1.00: * QG2 ILE 52 + HA ILE 52 OK 100 100 100 100 2.8-3.2 3.2=100 QD2 LEU 2 + HA ILE 52 OK 76 77 100 98 1.9-2.6 3.1/8046=36, 3.1/8047=30...(20) QD1 LEU 64 + HA THR 80 OK 34 37 100 93 3.6-4.3 10762/3.2=29...(16) QD2 LEU 57 - HA THR 80 poor 15 61 25 - 4.1-5.8 QG1 VAL 78 - HA THR 80 poor 11 42 25 - 3.8-6.9 HG3 ARG 81 - HA THR 80 far 0 34 0 - 5.0-6.0 QG1 VAL 54 - HA THR 80 far 0 61 0 - 5.8-7.0 QD1 LEU 6 - HA THR 80 far 0 68 0 - 6.4-7.9 QD2 LEU 42 - HA THR 80 far 0 65 0 - 6.5-8.1 QG1 VAL 78 - HA ILE 52 far 0 71 0 - 6.6-8.5 QG1 VAL 54 - HA ILE 52 far 0 95 0 - 7.0-7.7 QD1 ILE 76 - HA ILE 52 far 0 90 0 - 7.5-9.5 QD1 LEU 70 - HA THR 80 far 0 37 0 - 7.7-11.3 QD2 LEU 42 - HA ILE 52 far 0 98 0 - 7.8-9.3 QD1 LEU 27 - HA ILE 52 far 0 99 0 - 7.9-9.2 QG2 ILE 8 - HA THR 80 far 0 68 0 - 8.3-9.2 QD1 ILE 93 - HA THR 80 far 0 67 0 - 8.5-10.0 QG2 ILE 7 - HA THR 80 far 0 58 0 - 9.0-10.1 HG13 ILE 93 - HA THR 80 far 0 40 0 - 9.2-12.0 QD1 LEU 6 - HA ILE 52 far 0 99 0 - 9.3-10.6 QD2 LEU 70 - HA THR 80 far 0 48 0 - 9.6-11.1 QG2 ILE 93 - HA THR 80 far 0 49 0 - 9.9-11.1 QG2 ILE 52 - HA THR 80 far 0 70 0 - 9.9-12.2 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 6 assignments used, quality = 1.00: * HG12 ILE 52 + HA ILE 52 OK 100 100 100 100 2.0-3.2 3.8=100 HB3 ARG 81 + HA THR 80 OK 55 62 90 98 4.1-5.7 7316/7311=66...(16) HB3 LEU 55 - HA THR 80 far 0 64 0 - 6.5-7.2 QG1 VAL 83 - HA THR 80 far 0 45 0 - 6.9-7.3 HG2 LYS 82 - HA THR 80 far 0 57 0 - 8.0-9.1 HB3 LEU 55 - HA ILE 52 far 0 97 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (1.46, 5.34, 59.36 ppm; 3.90 A): 3 out of 12 assignments used, quality = 1.00: * HG13 ILE 52 + HA ILE 52 OK 100 100 100 100 2.3-3.2 3.8=100 HG2 LYS 53 + HA ILE 52 OK 89 100 100 89 3.5-4.1 5.0/6868=39, 2355/3.2=27...(15) HG3 LYS 53 + HA ILE 52 OK 50 99 55 92 3.6-5.6 5.0/6868=39, ~10852=23...(16) HD2 LYS 53 - HA ILE 52 far 0 100 0 - 5.0-6.4 HB3 LEU 64 - HA THR 80 far 0 42 0 - 5.6-6.7 HG LEU 64 - HA THR 80 far 0 55 0 - 6.6-7.1 HG LEU 38 - HA THR 80 far 0 69 0 - 7.6-11.6 HB2 LEU 38 - HA THR 80 far 0 69 0 - 8.2-10.9 HG12 ILE 7 - HA THR 80 far 0 42 0 - 8.2-9.5 HG2 LYS 47 - HA ILE 52 far 0 70 0 - 8.4-12.1 HG13 ILE 76 - HA ILE 52 far 0 91 0 - 9.0-11.5 HD2 LYS 82 - HA THR 80 far 0 69 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (0.69, 5.34, 59.36 ppm; 3.87 A): 4 out of 18 assignments used, quality = 1.00: * QD1 ILE 52 + HA ILE 52 OK 100 100 100 100 3.4-3.8 4.1=84, 6864/3.0=50...(22) QD1 ILE 56 + HA THR 80 OK 58 65 90 100 2.9-5.2 3.2/9302=51, 3.0/9307=47...(23) HG13 ILE 56 + HA THR 80 OK 32 58 55 100 3.7-6.0 2.9/9302=54, 3.2/9307=45...(23) QG2 VAL 78 + HA THR 80 OK 22 50 70 61 3.4-6.6 ~10288=23, 8179=22...(10) QG2 VAL 58 - HA THR 80 far 6 60 10 - 4.6-5.8 QG1 VAL 58 - HA THR 80 far 3 52 5 - 4.1-5.5 QG2 VAL 54 - HA ILE 52 far 0 57 0 - 4.8-5.3 QD1 ILE 8 - HA THR 80 far 0 63 0 - 5.3-7.0 QG1 VAL 5 - HA THR 80 far 0 44 0 - 6.6-7.4 QD2 LEU 27 - HA ILE 52 far 0 68 0 - 6.8-7.7 QG2 VAL 78 - HA ILE 52 far 0 82 0 - 7.0-9.7 QD1 LEU 42 - HA THR 80 far 0 69 0 - 7.3-8.7 QG2 VAL 54 - HA THR 80 far 0 33 0 - 7.6-8.7 QD2 LEU 6 - HA THR 80 far 0 68 0 - 7.9-9.4 QD2 LEU 6 - HA ILE 52 far 0 99 0 - 9.2-11.9 QD2 LEU 14 - HA THR 80 far 0 64 0 - 9.5-10.5 QD1 ILE 56 - HA ILE 52 far 0 98 0 - 9.7-11.4 QG1 VAL 5 - HA ILE 52 far 0 73 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (8.47, 5.34, 59.36 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 53 + HA ILE 52 OK 100 100 100 100 2.2-2.2 6868=100, 2349/3.0=33...(23) H ARG 79 - HA THR 80 far 0 44 0 - 4.5-5.3 H VAL 54 - HA ILE 52 far 0 88 0 - 5.9-6.4 H ALA 67 - HA THR 80 far 0 65 0 - 6.8-7.7 H VAL 54 - HA THR 80 far 0 55 0 - 7.7-9.0 H ILE 7 - HA THR 80 far 0 67 0 - 8.7-10.1 H ARG 79 - HA ILE 52 far 0 73 0 - 9.0-10.3 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 2.2-3.0 3.8=100 H LYS 47 - HB ILE 52 far 0 90 0 - 5.9-7.4 HE ARG 46 - HB ILE 52 far 0 87 0 - 7.8-12.1 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 2.4-2.9 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 76 77 100 99 1.9-3.7 12040/3.0=36, ~12039=28...(30) QD1 ILE 76 - HB ILE 52 far 0 90 0 - 5.6-8.4 QG1 VAL 78 - HB ILE 52 far 0 71 0 - 6.3-9.0 QD2 LEU 42 - HB ILE 52 far 0 98 0 - 7.1-9.1 QG1 VAL 54 - HB ILE 52 far 0 95 0 - 7.4-8.1 QD1 LEU 6 - HB ILE 52 far 0 99 0 - 9.1-10.5 QD1 LEU 27 - HB ILE 52 far 0 99 0 - 9.8-11.2 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 1 assignment used, quality = 1.00: * HG12 ILE 52 + HB ILE 52 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (1.46, 1.67, 42.16 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 52 + HB ILE 52 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 53 - HB ILE 52 far 0 100 0 - 5.3-5.7 HG3 LYS 53 - HB ILE 52 far 0 99 0 - 6.0-7.4 HG2 LYS 47 - HB ILE 52 far 0 70 0 - 6.3-10.0 HG13 ILE 76 - HB ILE 52 far 0 91 0 - 6.5-9.8 HD2 LYS 53 - HB ILE 52 far 0 100 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (0.69, 1.67, 42.16 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 52 + HB ILE 52 OK 100 100 100 100 2.1-2.5 3.2=100 QG2 VAL 54 - HB ILE 52 far 0 57 0 - 4.9-5.6 QG2 VAL 78 - HB ILE 52 far 0 82 0 - 6.7-10.0 QD2 LEU 27 - HB ILE 52 far 0 68 0 - 8.3-9.9 QD1 LEU 42 - HB ILE 52 far 0 100 0 - 9.5-11.5 QD2 LEU 6 - HB ILE 52 far 0 99 0 - 9.9-11.8 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 4.0-4.4 4.5=81, 6868/3.0=81...(15) H VAL 54 - HB ILE 52 far 0 88 0 - 6.6-7.7 H ARG 79 - HB ILE 52 far 0 73 0 - 9.8-11.1 Violated in 15 structures by 0.04 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 1.9-3.4 4.0=90, 6860/2.1=77...(18) H LYS 47 - QG2 ILE 52 far 0 90 0 - 5.2-6.1 HE ARG 46 - QG2 ILE 52 far 0 87 0 - 5.7-9.0 H LEU 38 - QG2 ILE 8 far 0 34 0 - 5.7-6.5 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 3 assignments used, quality = 1.00: * HA ILE 52 + QG2 ILE 52 OK 100 100 100 100 2.8-3.2 3.2=100 HA THR 80 - QG2 ILE 8 far 0 67 0 - 8.3-9.2 HA THR 80 - QG2 ILE 52 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2352 from cnoeabs.peaks (1.67, 0.78, 17.78 ppm; 3.04 A): 1 out of 17 assignments used, quality = 1.00: * HB ILE 52 + QG2 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 76 - QG2 ILE 52 far 0 84 0 - 4.3-6.4 HB3 LYS 53 - QG2 ILE 52 far 0 96 0 - 4.7-5.9 HB3 LEU 6 - QG2 ILE 8 far 0 55 0 - 6.1-7.7 HG12 ILE 15 - QG2 ILE 8 far 0 54 0 - 6.2-7.2 HB2 LEU 2 - QG2 ILE 52 far 0 75 0 - 6.3-7.7 HD2 LYS 47 - QG2 ILE 52 far 0 99 0 - 6.8-9.6 HD3 LYS 66 - QG2 ILE 8 far 0 44 0 - 7.2-9.5 HD3 LYS 47 - QG2 ILE 52 far 0 99 0 - 7.3-9.7 HB3 ARG 79 - QG2 ILE 52 far 0 96 0 - 7.7-10.2 HB3 LEU 6 - QG2 ILE 52 far 0 90 0 - 8.3-12.1 HD2 LYS 12 - QG2 ILE 8 far 0 46 0 - 8.4-12.0 HG LEU 70 - QG2 ILE 8 far 0 48 0 - 8.4-10.1 HG2 LYS 68 - QG2 ILE 8 far 0 48 0 - 9.0-11.0 HD3 LYS 12 - QG2 ILE 8 far 0 46 0 - 9.3-12.3 HD3 LYS 68 - QG2 ILE 8 far 0 59 0 - 9.4-11.8 HB2 LYS 40 - QG2 ILE 8 far 0 53 0 - 9.6-11.4 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 - 6.2-8.7 QG1 VAL 83 - QG2 ILE 8 far 0 44 0 - 7.9-8.6 HB3 LEU 55 - QG2 ILE 52 far 0 97 0 - 8.4-10.0 HB3 ARG 81 - QG2 ILE 8 far 0 61 0 - 9.7-10.6 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 2.0-3.2 3.2=100 HG2 LYS 53 + QG2 ILE 52 OK 85 100 100 85 4.0-4.2 10852=28, 3.9/10637=26...(13) HG3 LYS 53 - QG2 ILE 52 poor 20 99 20 - 4.4-5.5 HG13 ILE 76 - QG2 ILE 52 far 0 91 0 - 4.6-6.6 HB2 LEU 38 - QG2 ILE 8 far 0 68 0 - 4.8-7.0 HG LEU 38 - QG2 ILE 8 far 0 68 0 - 4.8-7.4 HG12 ILE 7 - QG2 ILE 8 far 0 42 0 - 5.6-6.4 HD2 LYS 53 - QG2 ILE 52 far 0 100 0 - 5.6-6.5 HG3 LYS 66 - QG2 ILE 8 far 0 38 0 - 5.7-8.2 HG2 LYS 47 - QG2 ILE 52 far 0 70 0 - 5.9-8.6 HG2 LYS 66 - QG2 ILE 8 far 0 40 0 - 6.5-9.1 HB3 LEU 64 - QG2 ILE 8 far 0 42 0 - 6.8-7.9 HD2 LYS 82 - QG2 ILE 8 far 0 68 0 - 7.2-9.1 HG LEU 64 - QG2 ILE 8 far 0 54 0 - 8.4-9.7 HG3 LYS 39 - QG2 ILE 8 far 0 61 0 - 8.8-11.8 HG2 LYS 12 - QG2 ILE 8 far 0 64 0 - 9.0-10.9 HG LEU 29 - QG2 ILE 8 far 0 55 0 - 9.5-9.9 HB2 LEU 38 - QG2 ILE 52 far 0 100 0 - 9.6-13.6 QB ALA 22 - QG2 ILE 52 far 0 90 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (0.69, 0.78, 17.78 ppm; 2.75 A): 4 out of 21 assignments used, quality = 1.00: * QD1 ILE 52 + QG2 ILE 52 OK 97 100 100 97 1.9-2.5 3.1=72, 2.1/2369=23...(23) QD1 ILE 8 + QG2 ILE 8 OK 57 62 100 91 1.9-3.0 3.0=81, 8308/10744=11...(15) QG1 VAL 58 + QG2 ILE 8 OK 48 51 100 95 2.6-3.6 10224/2.1=32...(27) QG2 VAL 54 + QG2 ILE 52 OK 29 57 85 59 2.5-4.4 10208/3.2=11...(15) QG2 VAL 78 - QG2 ILE 52 far 0 82 0 - 3.9-7.4 QG2 VAL 58 - QG2 ILE 8 far 0 59 0 - 4.5-5.4 QD2 LEU 14 - QG2 ILE 8 far 0 63 0 - 5.5-6.6 QD1 ILE 56 - QG2 ILE 8 far 0 64 0 - 5.9-7.1 QD2 LEU 6 - QG2 ILE 8 far 0 67 0 - 6.0-7.7 QD1 LEU 42 - QG2 ILE 52 far 0 100 0 - 6.5-8.7 QD1 LEU 14 - QG2 ILE 8 far 0 60 0 - 6.6-7.9 QD2 LEU 6 - QG2 ILE 52 far 0 99 0 - 6.6-10.0 QD1 ILE 56 - QG2 ILE 52 far 0 98 0 - 6.7-9.1 HG13 ILE 56 - QG2 ILE 8 far 0 58 0 - 7.0-8.7 QD1 LEU 42 - QG2 ILE 8 far 0 67 0 - 7.2-8.7 QD2 LEU 27 - QG2 ILE 52 far 0 68 0 - 7.4-8.4 HG13 ILE 56 - QG2 ILE 52 far 0 92 0 - 7.7-10.7 QG1 VAL 5 - QG2 ILE 8 far 0 43 0 - 7.8-8.5 QG2 VAL 78 - QG2 ILE 8 far 0 49 0 - 8.2-10.2 QG1 VAL 5 - QG2 ILE 52 far 0 73 0 - 8.3-10.3 QD1 ILE 8 - QG2 ILE 52 far 0 96 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (8.47, 0.78, 17.78 ppm; 3.78 A): 3 out of 7 assignments used, quality = 1.00: * H LYS 53 + QG2 ILE 52 OK 100 100 100 100 2.5-4.0 4.3=67, 6868/3.2=66...(18) H VAL 54 + QG2 ILE 52 OK 57 88 85 77 3.5-5.8 3.6/10637=29...(11) H VAL 32 + QG2 ILE 8 OK 45 64 75 94 4.2-4.9 10147/3.2=44...(13) H ALA 67 - QG2 ILE 8 far 0 64 0 - 5.4-7.0 H ILE 7 - QG2 ILE 8 far 0 66 0 - 6.0-6.5 H ARG 79 - QG2 ILE 52 far 0 73 0 - 6.4-8.5 H THR 31 - QG2 ILE 8 far 0 47 0 - 8.0-8.7 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 3.5-4.4 6862=100, 6860/3.0=74...(11) H LYS 47 - HG12 ILE 52 far 0 90 0 - 6.5-7.8 HE ARG 46 - HG12 ILE 52 far 0 87 0 - 9.5-13.1 Violated in 6 structures by 0.03 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 2.0-3.2 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): 1 out of 7 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 poor 15 75 20 - 4.2-7.4 HB3 LYS 53 - HG12 ILE 52 far 0 96 0 - 5.2-7.2 HB ILE 76 - HG12 ILE 52 far 0 84 0 - 6.6-10.7 HD2 LYS 47 - HG12 ILE 52 far 0 99 0 - 6.8-11.3 HD3 LYS 47 - HG12 ILE 52 far 0 99 0 - 7.5-11.9 HB3 ARG 79 - HG12 ILE 52 far 0 96 0 - 9.3-14.4 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 8 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 76 77 100 99 1.8-4.2 12040/1.8=50, ~12039=44...(18) QG1 VAL 54 - HG12 ILE 52 far 0 95 0 - 5.4-7.8 QG1 VAL 78 - HG12 ILE 52 far 0 71 0 - 6.0-9.0 QD2 LEU 42 - HG12 ILE 52 far 0 98 0 - 6.0-9.2 QD1 ILE 76 - HG12 ILE 52 far 0 90 0 - 6.2-9.0 QD1 LEU 6 - HG12 ILE 52 far 0 99 0 - 7.8-10.4 QD1 LEU 27 - HG12 ILE 52 far 0 99 0 - 8.5-10.2 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 6 assignments used, quality = 1.00: * HG13 ILE 52 + HG12 ILE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 53 - HG12 ILE 52 far 0 100 0 - 4.7-6.4 HG3 LYS 53 - HG12 ILE 52 far 0 99 0 - 5.4-7.6 HG2 LYS 47 - HG12 ILE 52 far 0 70 0 - 6.1-10.0 HD2 LYS 53 - HG12 ILE 52 far 0 100 0 - 6.6-8.7 HG13 ILE 76 - HG12 ILE 52 far 0 91 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (0.69, 1.04, 27.19 ppm; 3.42 A): 1 out of 9 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 poor 17 57 30 - 2.9-5.8 QG2 VAL 78 - HG12 ILE 52 far 0 82 0 - 5.2-10.4 QD2 LEU 27 - HG12 ILE 52 far 0 68 0 - 7.3-8.9 QD1 LEU 42 - HG12 ILE 52 far 0 100 0 - 8.6-11.6 QD1 ILE 56 - HG12 ILE 52 far 0 98 0 - 8.7-11.4 QD2 LEU 6 - HG12 ILE 52 far 0 99 0 - 9.1-11.2 QG1 VAL 5 - HG12 ILE 52 far 0 73 0 - 9.6-12.0 HG13 ILE 56 - HG12 ILE 52 far 0 92 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (8.47, 1.04, 27.19 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 53 + HG12 ILE 52 OK 100 100 100 100 2.5-4.4 6871=100, 6868/3.8=83...(14) H VAL 54 - HG12 ILE 52 far 13 88 15 - 3.9-8.1 H ARG 79 - HG12 ILE 52 far 0 73 0 - 8.0-11.6 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 6 assignments used, quality = 1.00: * H ILE 52 + HG13 ILE 52 OK 100 100 100 100 4.3-4.7 6862/1.8=76, 6860/3.0=64...(12) H LEU 38 + HG LEU 38 OK 48 50 100 96 1.9-4.6 5.3=39, 2.9/1619=34...(21) H ARG 91 + HG3 ARG 91 OK 43 44 100 99 2.0-4.7 4.8=54, 7444/1.8=50...(14) HZ2 TRP 92 - HG3 ARG 91 far 0 57 0 - 5.7-10.4 H LYS 47 - HG13 ILE 52 far 0 90 0 - 6.6-7.8 HE ARG 46 - HG13 ILE 52 far 0 87 0 - 9.3-12.7 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 2.3-3.2 3.8=100 HA THR 80 - HG LEU 64 far 0 64 0 - 6.6-7.1 HA THR 80 - HG LEU 38 far 0 92 0 - 7.6-11.6 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 35 assignments used, quality = 1.00: * HB ILE 52 + HG13 ILE 52 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 91 + HG3 ARG 91 OK 53 53 100 100 2.2-2.9 2.8=100 HD3 LYS 68 + HG LEU 64 OK 33 56 70 85 2.0-6.0 10264/2.1=23, ~12320=16...(22) HD2 LYS 68 + HG LEU 64 OK 27 56 55 86 2.9-6.3 10264/2.1=22, ~10242=18...(22) HG2 LYS 68 + HG LEU 64 OK 24 46 70 77 3.0-4.7 12320/2.1=22...(18) HD3 LYS 90 - HG3 ARG 91 poor 10 42 25 - 2.1-10.3 HG LEU 70 - HG LEU 38 far 3 70 5 - 3.7-8.0 HB2 LEU 2 - HG13 ILE 52 far 0 75 0 - 4.7-7.2 HB3 LEU 6 - HG LEU 38 far 0 78 0 - 5.0-7.8 HB3 LYS 53 - HG13 ILE 52 far 0 96 0 - 5.3-6.2 HD2 LYS 39 - HG LEU 38 far 0 85 0 - 5.4-9.3 HD3 LYS 39 - HG LEU 38 far 0 68 0 - 5.4-9.8 HB3 LEU 6 - HG LEU 29 far 0 54 0 - 5.7-6.8 HB2 LYS 40 - HG LEU 38 far 0 76 0 - 5.9-9.2 HB3 LYS 40 - HG LEU 38 far 0 88 0 - 6.2-9.9 HG12 ILE 15 - HG LEU 29 far 0 53 0 - 6.3-8.2 HD2 LYS 47 - HG13 ILE 52 far 0 99 0 - 6.8-11.5 HB ILE 76 - HG13 ILE 52 far 0 84 0 - 7.0-9.8 HD3 LYS 66 - HG LEU 38 far 0 64 0 - 7.2-10.5 HD3 LYS 66 - HG LEU 64 far 0 42 0 - 7.3-9.2 HG2 LYS 68 - HG LEU 38 far 0 70 0 - 7.5-13.2 HD3 LYS 47 - HG13 ILE 52 far 0 99 0 - 7.5-12.1 HD3 LYS 73 - HG LEU 38 far 0 92 0 - 7.8-15.0 HG2 PRO 86 - HG3 ARG 91 far 0 46 0 - 7.9-13.5 HD2 LYS 73 - HG LEU 38 far 0 92 0 - 8.0-15.4 HD2 LYS 20 - HG LEU 29 far 0 66 0 - 8.9-12.4 HD2 LYS 68 - HG LEU 38 far 0 83 0 - 9.0-13.9 HD3 LYS 68 - HG LEU 38 far 0 82 0 - 9.1-14.0 HG3 LYS 20 - HG LEU 29 far 0 67 0 - 9.1-11.9 HD3 LYS 20 - HG LEU 29 far 0 67 0 - 9.3-12.9 HB ILE 76 - HG LEU 38 far 0 73 0 - 9.3-11.9 HD3 LYS 90 - HG LEU 29 far 0 50 0 - 9.4-13.5 HG LEU 70 - HG LEU 64 far 0 46 0 - 9.6-11.0 HB3 LEU 6 - HG13 ILE 52 far 0 90 0 - 9.8-12.7 HB3 ARG 79 - HG LEU 64 far 0 58 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (0.78, 1.46, 27.19 ppm; 3.12 A): 3 out of 48 assignments used, quality = 1.00: * QG2 ILE 52 + HG13 ILE 52 OK 98 100 100 98 2.0-3.2 3.2=92, 2377/2.1=37...(17) QD2 LEU 2 + HG13 ILE 52 OK 71 77 95 97 1.9-4.6 2.1/12039=54, 12040=49...(18) QD1 LEU 64 + HG LEU 64 OK 34 34 100 100 2.1-2.1 2.1=100 QD1 LEU 70 - HG LEU 38 poor 10 54 80 23 2.0-6.2 ~12070=9, 1654=3...(9) QG2 ILE 7 - HG LEU 29 far 6 57 10 - 3.9-4.4 QD1 LEU 6 - HG LEU 38 far 0 91 0 - 4.1-5.2 QD1 ILE 93 - HG LEU 29 far 0 65 0 - 4.1-5.2 QG2 ILE 15 - HG LEU 29 far 0 43 0 - 4.4-6.0 QD2 LEU 70 - HG LEU 38 far 0 68 0 - 4.5-7.3 QD2 LEU 57 - HG LEU 29 far 0 59 0 - 4.7-6.9 QG2 ILE 8 - HG LEU 38 far 0 91 0 - 4.8-7.4 HG13 ILE 93 - HG LEU 29 far 0 38 0 - 4.9-7.6 QG2 ILE 93 - HG LEU 29 far 0 47 0 - 5.1-6.3 QD2 LEU 42 - HG LEU 38 far 0 89 0 - 5.3-7.1 QG1 VAL 54 - HG13 ILE 52 far 0 95 0 - 5.4-6.4 QD2 LEU 42 - HG13 ILE 52 far 0 98 0 - 5.5-8.1 QG1 VAL 78 - HG13 ILE 52 far 0 71 0 - 5.6-7.7 QD1 ILE 93 - HG3 ARG 91 far 0 55 0 - 5.8-8.4 QG1 VAL 54 - HG LEU 29 far 0 59 0 - 5.8-6.9 QD1 ILE 76 - HG13 ILE 52 far 0 90 0 - 6.1-8.4 QG1 VAL 78 - HG LEU 38 far 0 61 0 - 6.1-8.7 QG1 VAL 54 - HG LEU 38 far 0 84 0 - 6.2-8.6 QD1 LEU 6 - HG LEU 29 far 0 66 0 - 6.3-7.0 QD1 LEU 27 - HG LEU 29 far 0 65 0 - 6.3-7.9 HG13 ILE 15 - HG LEU 29 far 0 52 0 - 6.5-8.3 QD2 LEU 57 - HG3 ARG 91 far 0 50 0 - 6.7-9.9 QD1 LEU 6 - HG13 ILE 52 far 0 99 0 - 7.1-9.1 QD1 LEU 64 - HG LEU 38 far 0 54 0 - 7.1-10.9 QD1 ILE 15 - HG LEU 29 far 0 58 0 - 7.3-8.3 HG13 ILE 93 - HG3 ARG 91 far 0 32 0 - 7.3-9.8 QD1 ILE 76 - HG LEU 38 far 0 78 0 - 7.6-9.3 HG3 ARG 81 - HG3 ARG 91 far 0 27 0 - 7.6-13.3 QG2 ILE 93 - HG3 ARG 91 far 0 39 0 - 7.6-9.0 QG2 ILE 7 - HG LEU 38 far 0 81 0 - 7.7-10.2 QD1 LEU 27 - HG13 ILE 52 far 0 99 0 - 8.0-9.5 QD1 LEU 70 - HG LEU 64 far 0 34 0 - 8.0-10.8 HG3 ARG 81 - HG LEU 64 far 0 32 0 - 8.1-10.6 QD2 LEU 57 - HG LEU 38 far 0 84 0 - 8.2-10.9 QG2 ILE 8 - HG LEU 64 far 0 63 0 - 8.4-9.7 QD2 LEU 57 - HG LEU 64 far 0 57 0 - 8.4-10.4 QD2 LEU 70 - HG LEU 64 far 0 44 0 - 8.4-10.5 QG1 VAL 78 - HG LEU 64 far 0 39 0 - 8.7-10.8 QG1 VAL 78 - HG LEU 29 far 0 41 0 - 8.9-11.8 QD2 LEU 42 - HG LEU 29 far 0 63 0 - 9.5-11.3 QG2 ILE 8 - HG LEU 29 far 0 66 0 - 9.5-9.9 QD1 LEU 27 - HG3 ARG 91 far 0 55 0 - 9.5-11.5 QD2 LEU 42 - HG LEU 64 far 0 61 0 - 9.9-11.4 QD1 ILE 15 - HG LEU 38 far 0 82 0 - 9.9-12.2 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 11 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 QG1 VAL 83 - HG3 ARG 91 far 0 36 0 - 4.9-7.4 HG2 LYS 82 - HG LEU 64 far 0 54 0 - 5.4-7.3 HB3 LEU 55 - HG LEU 29 far 0 62 0 - 6.2-8.1 HB3 ARG 81 - HG3 ARG 91 far 0 51 0 - 7.9-12.4 HB3 ARG 81 - HG LEU 64 far 0 58 0 - 8.0-9.7 QG1 VAL 83 - HG LEU 64 far 0 42 0 - 8.5-9.6 HB3 LEU 55 - HG13 ILE 52 far 0 97 0 - 9.0-11.4 QG1 VAL 83 - HG LEU 29 far 0 43 0 - 9.2-10.2 HB3 LEU 55 - HG3 ARG 91 far 0 52 0 - 9.7-14.0 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): 4 out of 40 assignments used, quality = 1.00: * QD1 ILE 52 + HG13 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 8 + HG LEU 38 OK 36 86 65 65 2.4-5.3 12201=16, 324/2.1=13...(12) QG1 VAL 5 + HG LEU 29 OK 36 42 95 90 2.1-4.3 ~8671=24, ~10500=24...(17) QG2 VAL 54 + HG13 ILE 52 OK 20 57 75 47 2.8-4.6 10208=17, 9240/1.8=16...(10) QD1 LEU 42 - HG LEU 38 poor 18 92 20 - 3.8-5.3 QD1 ILE 56 - HG LEU 38 poor 11 88 35 36 3.0-6.8 12202/3.0=8, 12201=8...(8) QD2 LEU 6 - HG LEU 29 far 0 66 0 - 3.9-5.5 HG13 ILE 56 - HG LEU 38 far 0 81 0 - 4.0-8.7 QG2 VAL 58 - HG LEU 64 far 0 56 0 - 4.2-4.3 QD2 LEU 6 - HG LEU 38 far 0 91 0 - 4.4-7.5 QG1 VAL 58 - HG LEU 38 far 0 73 0 - 4.7-7.4 QG1 VAL 58 - HG LEU 64 far 0 48 0 - 5.0-5.7 QG2 VAL 78 - HG13 ILE 52 far 0 82 0 - 5.1-9.3 QG2 VAL 78 - HG LEU 38 far 0 71 0 - 5.7-9.3 QD1 ILE 56 - HG LEU 64 far 0 61 0 - 6.7-9.5 QD1 ILE 56 - HG LEU 29 far 0 63 0 - 6.7-10.2 QD2 LEU 27 - HG13 ILE 52 far 0 68 0 - 6.8-8.4 QD1 ILE 8 - HG LEU 64 far 0 59 0 - 6.8-8.1 QG2 VAL 58 - HG LEU 38 far 0 82 0 - 6.8-9.9 QD2 LEU 14 - HG LEU 29 far 0 62 0 - 7.4-8.2 HG13 ILE 56 - HG LEU 29 far 0 57 0 - 7.5-10.5 QD1 ILE 8 - HG LEU 29 far 0 61 0 - 7.5-9.4 QG2 VAL 78 - HG LEU 64 far 0 47 0 - 7.6-11.1 QD2 LEU 27 - HG LEU 29 far 0 38 0 - 7.7-9.4 QD2 LEU 6 - HG13 ILE 52 far 0 99 0 - 7.8-10.0 QG2 VAL 54 - HG LEU 29 far 0 32 0 - 7.8-9.1 QD1 LEU 14 - HG3 ARG 91 far 0 50 0 - 7.9-11.6 QG1 VAL 5 - HG3 ARG 91 far 0 35 0 - 7.9-10.9 QG2 VAL 54 - HG LEU 38 far 0 48 0 - 8.0-10.1 QD1 LEU 42 - HG13 ILE 52 far 0 100 0 - 8.1-10.6 QD1 ILE 56 - HG13 ILE 52 far 0 98 0 - 8.3-10.2 QD2 LEU 14 - HG3 ARG 91 far 0 52 0 - 8.4-11.4 QG1 VAL 5 - HG LEU 38 far 0 63 0 - 8.5-11.5 HG13 ILE 56 - HG LEU 64 far 0 55 0 - 8.5-11.4 QG1 VAL 5 - HG13 ILE 52 far 0 73 0 - 8.8-10.6 QG2 VAL 78 - HG LEU 29 far 0 49 0 - 9.0-11.8 QG1 VAL 58 - HG LEU 29 far 0 50 0 - 9.2-9.9 QD1 LEU 14 - HG LEU 29 far 0 59 0 - 9.2-10.6 QD1 LEU 42 - HG LEU 64 far 0 64 0 - 9.6-11.0 HG13 ILE 56 - HG13 ILE 52 far 0 92 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (8.47, 1.46, 27.19 ppm; 4.31 A): 5 out of 13 assignments used, quality = 1.00: * H LYS 53 + HG13 ILE 52 OK 100 100 100 100 2.5-3.3 6871/1.8=71, 6868/3.8=70...(15) H LEU 29 + HG LEU 29 OK 60 60 100 100 4.5-4.6 6469/3.0=73, 6468/3.0=68...(14) H ILE 7 + HG LEU 29 OK 58 65 100 89 3.6-4.7 8238/6479=47...(8) H ALA 67 + HG LEU 38 OK 36 88 50 81 4.2-8.8 9519/2.1=20, ~9526=20...(17) H VAL 54 + HG13 ILE 52 OK 27 88 40 76 4.5-6.8 4.0/10208=52...(6) H ALA 67 - HG LEU 64 poor 18 61 30 - 5.1-5.6 H THR 31 - HG LEU 29 far 0 46 0 - 5.2-6.4 H VAL 32 - HG LEU 38 far 0 88 0 - 6.5-9.1 H VAL 32 - HG LEU 29 far 0 63 0 - 6.8-7.8 H ILE 7 - HG LEU 38 far 0 90 0 - 7.4-9.9 H ARG 79 - HG13 ILE 52 far 0 73 0 - 8.2-10.0 H THR 31 - HG LEU 38 far 0 68 0 - 9.0-11.3 H ARG 79 - HG LEU 38 far 0 63 0 - 9.1-12.9 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 4.2-4.5 6864=100, 6862/2.1=91...(14) H LYS 47 + QD1 ILE 52 OK 89 90 100 99 4.0-4.6 3.6/9512=67...(14) HE ARG 46 - QD1 ILE 52 far 0 87 0 - 6.3-9.2 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 3.4-3.8 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): 1 out of 8 assignments used, quality = 1.00: * HB ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.1-2.5 3.2=100 HD2 LYS 47 - QD1 ILE 52 far 5 99 5 - 4.4-7.6 HB2 LEU 2 - QD1 ILE 52 far 4 75 5 - 4.0-6.1 HD3 LYS 47 - QD1 ILE 52 far 0 99 0 - 4.6-8.1 HB ILE 76 - QD1 ILE 52 far 0 84 0 - 5.6-7.6 HB3 LYS 53 - QD1 ILE 52 far 0 96 0 - 6.3-6.9 HB3 LEU 6 - QD1 ILE 52 far 0 90 0 - 8.8-11.1 HB3 ARG 79 - QD1 ILE 52 far 0 96 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (0.78, 0.69, 14.38 ppm; 3.04 A): 2 out of 10 assignments used, quality = 1.00: * QG2 ILE 52 + QD1 ILE 52 OK 100 100 100 100 1.9-2.5 3.1=97, 2369/2.1=28...(25) QD2 LEU 2 + QD1 ILE 52 OK 74 77 100 96 1.9-3.9 12040/2.1=34, ~12039=28...(22) QD1 ILE 76 - QD1 ILE 52 far 0 90 0 - 4.2-6.0 QG1 VAL 54 - QD1 ILE 52 far 0 95 0 - 4.9-5.8 QD2 LEU 42 - QD1 ILE 52 far 0 98 0 - 5.1-6.3 QG1 VAL 78 - QD1 ILE 52 far 0 71 0 - 5.2-7.0 QD1 LEU 6 - QD1 ILE 52 far 0 99 0 - 6.3-7.6 QD1 LEU 27 - QD1 ILE 52 far 0 99 0 - 8.1-9.2 QG2 ILE 93 - QD1 ILE 52 far 0 81 0 - 9.8-11.2 QD2 LEU 57 - QD1 ILE 52 far 0 95 0 - 9.9-11.1 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 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2379 from cnoeabs.peaks (1.46, 0.69, 14.38 ppm; 3.28 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 47 - QD1 ILE 52 far 3 70 5 - 4.0-6.7 HG13 ILE 76 - QD1 ILE 52 far 0 91 0 - 5.2-7.8 HG2 LYS 53 - QD1 ILE 52 far 0 100 0 - 5.9-6.4 HG3 LYS 53 - QD1 ILE 52 far 0 99 0 - 6.4-7.5 HD2 LYS 53 - QD1 ILE 52 far 0 100 0 - 7.4-8.4 QB ALA 22 - QD1 ILE 52 far 0 90 0 - 9.3-10.7 HB2 LEU 27 - QD1 ILE 52 far 0 100 0 - 9.7-11.4 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 4.0-4.6 6871/2.1=83, 6868/4.1=79...(16) H VAL 54 + QD1 ILE 52 OK 24 88 40 69 4.8-6.7 4.7/6873=34, 2357/3.1=24...(7) H ARG 79 - QD1 ILE 52 far 0 73 0 - 8.3-9.4 H LEU 29 - QD1 ILE 52 far 0 96 0 - 9.7-11.1 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 2.3-2.5 3.0=100 HB2 GLU 104 - HA LYS 53 far 0 73 0 - 8.7-17.3 HG2 ARG 46 - HA LYS 53 far 0 96 0 - 9.0-12.9 HB VAL 5 - HA LYS 53 far 0 92 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2385 from cnoeabs.peaks (1.69, 5.04, 55.43 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 53 + HA LYS 53 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 52 - HA LYS 53 far 0 96 0 - 5.3-5.7 HB3 ARG 79 - HA LYS 53 far 0 75 0 - 5.8-8.6 HB2 LEU 2 - HA LYS 53 far 0 96 0 - 8.2-9.8 HB3 LEU 6 - HA LYS 53 far 0 63 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.40 A): 3 out of 5 assignments used, quality = 1.00: * HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.5-3.0 3.9=67, 3.0/2389=34...(53) HG3 LYS 53 + HA LYS 53 OK 99 100 100 100 2.6-3.7 3.9=67, 3.0/2389=34...(49) HD2 LYS 53 + HA LYS 53 OK 35 100 35 99 3.3-5.0 1.8/2389=40, 2440/3.0=35...(52) HG13 ILE 52 - HA LYS 53 far 10 100 10 - 4.1-5.6 HG13 ILE 76 - HA LYS 53 far 0 82 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (1.47, 5.04, 55.43 ppm; 3.40 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 53 + HA LYS 53 OK 100 100 100 100 2.6-3.7 3.9=67, 3.0/2389=34...(49) HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.5-3.0 3.9=67, 3.0/2389=34...(53) HD2 LYS 53 + HA LYS 53 OK 34 99 35 99 3.3-5.0 1.8/2389=40, 2440/3.0=35...(52) HG13 ILE 52 - HA LYS 53 far 10 99 10 - 4.1-5.6 HG13 ILE 76 - HA LYS 53 far 0 73 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.40 A): 3 out of 5 assignments used, quality = 1.00: HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.5-3.0 3.9=67, 3.0/2389=34...(53) HG3 LYS 53 + HA LYS 53 OK 99 99 100 100 2.6-3.7 3.9=67, 3.0/2389=34...(49) * HD2 LYS 53 + HA LYS 53 OK 35 100 35 99 3.3-5.0 1.8/2389=40, 2440/3.0=35...(52) HG13 ILE 52 - HA LYS 53 far 10 100 10 - 4.1-5.6 HG13 ILE 76 - HA LYS 53 far 0 88 0 - 8.4-9.8 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 3.7-4.6 2451/3.0=85, 1.8/2438=68...(58) HG2 ARG 79 - HA LYS 53 poor 6 94 30 23 4.6-8.3 9689/11102=11...(4) HB2 LEU 3 - HA LYS 53 far 5 100 5 - 5.3-7.9 HG3 ARG 79 - HA LYS 53 far 0 95 0 - 5.7-8.3 HG LEU 2 - HA LYS 53 far 0 63 0 - 6.4-8.9 HG12 ILE 56 - HA LYS 53 far 0 91 0 - 8.0-10.4 HG LEU 6 - HA LYS 53 far 0 82 0 - 8.5-10.4 HG LEU 103 - HA LYS 53 far 0 77 0 - 8.5-15.7 HB2 LEU 103 - HA LYS 53 far 0 71 0 - 9.6-16.4 HB3 GLU 28 - HA LYS 53 far 0 99 0 - 9.7-10.8 Violated in 8 structures by 0.02 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 2.1-2.4 6886=100, 6887/3.0=44...(22) 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 - 4.7-6.1 H LEU 2 - HA LYS 53 far 0 93 0 - 7.2-9.2 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 3.9-3.9 3.9=100 H VAL 54 + HB2 LYS 53 OK 88 88 100 100 2.5-3.6 4.4=89, 6886/3.0=70...(16) H ARG 79 - HB2 LYS 53 lone 5 73 50 15 4.4-6.2 9692/9190=8, 2481/9202=3...(4) 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 2.3-2.5 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 5 assignments used, quality = 1.00: * HB3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 79 - HB2 LYS 53 far 0 75 0 - 4.5-7.8 HB ILE 52 - HB2 LYS 53 far 0 96 0 - 7.2-7.6 HB2 LEU 2 - HB2 LYS 53 far 0 96 0 - 8.7-10.3 HB3 LEU 6 - HB2 LYS 53 far 0 63 0 - 9.5-12.4 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 5 assignments used, quality = 1.00: * HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.3-4.0 3.6=73, 2440/1.8=46...(56) HG13 ILE 52 - HB2 LYS 53 far 0 100 0 - 6.0-7.1 QB ALA 22 - HB2 LYS 53 far 0 81 0 - 9.5-11.1 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 5 assignments used, quality = 1.00: * HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 99 99 100 100 2.3-4.0 3.6=73, 2440/1.8=46...(56) HG13 ILE 52 - HB2 LYS 53 far 0 99 0 - 6.0-7.1 QB ALA 22 - HB2 LYS 53 far 0 71 0 - 9.5-11.1 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 5 assignments used, quality = 1.00: HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.6-3.0 3.0=100 * HD2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.3-4.0 3.6=73, 2440/1.8=46...(56) HG3 LYS 53 + HB2 LYS 53 OK 99 99 100 100 2.2-3.0 3.0=100 HG13 ILE 52 - HB2 LYS 53 far 0 100 0 - 6.0-7.1 QB ALA 22 - HB2 LYS 53 far 0 87 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (1.55, 1.84, 36.45 ppm; 3.91 A): 1 out of 11 assignments used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.1-3.4 3.6=100 HG2 ARG 79 - HB2 LYS 53 lone 5 94 30 19 3.1-7.1 6892/6887=5, 9251/9190=5...(6) HB2 LEU 3 - HB2 LYS 53 far 5 100 5 - 4.2-7.0 HG3 ARG 79 - HB2 LYS 53 lone 4 95 30 16 3.7-7.4 6892/6887=4, 9695/9190=3...(6) HG LEU 2 - HB2 LYS 53 far 0 63 0 - 7.2-9.9 HG12 ILE 56 - HB2 LYS 53 far 0 91 0 - 8.2-11.0 HG LEU 103 - HB2 LYS 53 far 0 77 0 - 8.2-14.5 HB2 LEU 103 - HB2 LYS 53 far 0 71 0 - 8.2-15.0 HG LEU 6 - HB2 LYS 53 far 0 82 0 - 9.0-11.1 HB3 LEU 103 - HB2 LYS 53 far 0 79 0 - 9.7-15.0 HB3 GLU 28 - HB2 LYS 53 far 0 99 0 - 9.9-11.2 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 2.8-4.9 5.0=84, ~2451=64...(50) HE3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.1-4.9 5.0=84, ~2451=64...(50) 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 2.1-4.9 5.0=84, ~2451=64...(50) HE2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.8-4.9 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 2.5-3.6 6887=100, 6886/3.0=77...(16) H LYS 53 + HB2 LYS 53 OK 88 88 100 100 3.9-3.9 3.9=100 H ARG 79 - HB2 LYS 53 lone 7 99 40 17 4.4-6.2 9692/9190=10...(4) H LEU 2 - HB2 LYS 53 far 0 93 0 - 7.5-9.3 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 2.8-3.1 3.9=100 H VAL 54 + HB3 LYS 53 OK 88 88 100 100 3.4-4.4 4.4=91, 6887/1.8=78...(17) H ARG 79 - HB3 LYS 53 far 0 73 0 - 5.8-7.4 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 3.0-3.0 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 3 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 - 8.6-10.0 HB2 GLU 104 - HB3 LYS 53 far 0 73 0 - 8.7-16.2 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 6 assignments used, quality = 1.00: * HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-4.0 3.6=74, 1.8/2451=73...(47) HG13 ILE 52 - HB3 LYS 53 far 0 100 0 - 5.3-6.2 HB2 LEU 27 - HB3 LYS 53 far 0 100 0 - 8.7-10.1 QB ALA 22 - HB3 LYS 53 far 0 81 0 - 8.9-10.2 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 6 assignments used, quality = 1.00: * HG3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 99 99 100 100 2.5-4.0 3.6=74, 1.8/2451=73...(47) HG13 ILE 52 - HB3 LYS 53 far 0 99 0 - 5.3-6.2 HB2 LEU 27 - HB3 LYS 53 far 0 99 0 - 8.7-10.1 QB ALA 22 - HB3 LYS 53 far 0 71 0 - 8.9-10.2 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 6 assignments used, quality = 1.00: * HD2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-4.0 3.6=74, 1.8/2451=73...(47) HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 53 + HB3 LYS 53 OK 99 99 100 100 2.2-3.0 3.0=100 HG13 ILE 52 - HB3 LYS 53 far 0 100 0 - 5.3-6.2 HB2 LEU 27 - HB3 LYS 53 far 0 100 0 - 8.7-10.1 QB ALA 22 - HB3 LYS 53 far 0 87 0 - 8.9-10.2 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 2.2-3.2 3.6=100 HB2 LEU 3 + HB3 LYS 53 OK 75 100 75 100 3.3-5.6 3.1/8114=73, 3.0/9187=44...(18) HG3 ARG 79 - HB3 LYS 53 far 9 95 10 - 5.0-9.0 HG2 ARG 79 - HB3 LYS 53 far 9 94 10 - 4.5-8.5 HG LEU 2 - HB3 LYS 53 far 0 63 0 - 5.8-8.5 HB3 GLU 28 - HB3 LYS 53 far 0 99 0 - 8.5-9.8 HG12 ILE 56 - HB3 LYS 53 far 0 91 0 - 9.0-12.0 HG LEU 6 - HB3 LYS 53 far 0 82 0 - 9.1-11.3 HG LEU 103 - HB3 LYS 53 far 0 77 0 - 9.5-15.4 HB2 LEU 103 - HB3 LYS 53 far 0 71 0 - 9.5-15.5 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 2.5-5.2 3.0/2451=90, 5.0=82...(47) HE3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.2-5.1 3.0/2451=90, 5.0=82...(48) 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 3.2-5.1 3.0/2451=90, 5.0=82...(48) HE2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-5.2 3.0/2451=90, 5.0=82...(47) 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 3.4-4.4 6888=96, 6887/1.8=90...(17) H LYS 53 + HB3 LYS 53 OK 88 88 100 100 2.8-3.1 3.9=100 H ARG 79 - HB3 LYS 53 far 0 99 0 - 5.8-7.4 H LEU 2 - HB3 LYS 53 far 0 93 0 - 5.9-7.7 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 11 assignments used, quality = 1.00: * H LYS 53 + HG2 LYS 53 OK 100 100 100 100 3.1-3.5 5.0=66, 6876/3.0=44...(27) H LYS 53 + HG3 LYS 53 OK 100 100 100 100 3.0-4.6 5.0=66, 6876/3.0=44...(26) H VAL 54 + HG2 LYS 53 OK 88 88 100 100 4.5-5.1 6887/3.0=66, 6886/3.9=60...(18) H VAL 54 + HG3 LYS 53 OK 43 87 50 100 4.2-5.6 6887/3.0=66, 6886/3.9=60...(17) H ARG 79 - HG3 LYS 53 far 0 72 0 - 5.7-9.0 H ARG 79 - HG2 LYS 53 far 0 73 0 - 6.5-8.2 H VAL 32 - HG2 LYS 12 far 0 82 0 - 8.6-10.5 H LEU 29 - HG2 LYS 20 far 0 91 0 - 8.9-11.3 H ALA 67 - HG2 LYS 73 far 0 56 0 - 9.0-11.2 H LYS 53 - HG2 LYS 47 far 0 63 0 - 9.4-13.0 H THR 31 - HG2 LYS 12 far 0 62 0 - 9.4-11.3 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 2.5-3.0 3.9=100 HA LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.6-3.7 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 19 assignments used, quality = 1.00: * HB2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.6-3.0 3.0=98, ~2451=22...(44) HB2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=98, ~2451=22...(43) HB2 LYS 12 + HG2 LYS 12 OK 71 71 100 100 2.2-3.0 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 68 68 100 100 2.6-3.0 3.0=100 HB3 LYS 90 - HG2 LYS 20 far 0 96 0 - 5.0-11.0 HG2 ARG 46 - HG2 LYS 47 far 0 56 0 - 5.0-8.7 HB2 LYS 90 - HG2 LYS 20 far 0 74 0 - 5.6-11.4 HB3 LYS 39 - HG2 LYS 73 far 0 49 0 - 6.6-10.9 HB ILE 93 - HG2 LYS 20 far 0 57 0 - 7.2-10.8 HB2 LEU 42 - HG2 LYS 73 far 0 35 0 - 7.2-11.0 HB2 LYS 68 - HG2 LYS 73 far 0 60 0 - 7.6-10.7 HB3 LYS 68 - HG2 LYS 73 far 0 39 0 - 7.9-11.6 HB2 GLU 104 - HG2 LYS 53 far 0 73 0 - 8.1-16.6 HB2 GLU 104 - HG3 LYS 53 far 0 72 0 - 8.6-15.5 HG2 ARG 46 - HG2 LYS 73 far 0 53 0 - 8.7-14.1 HB2 LEU 42 - HG2 LYS 47 far 0 36 0 - 8.8-12.1 HB2 LYS 12 - HG2 LYS 20 far 0 83 0 - 9.3-11.3 HB3 LYS 66 - HG2 LYS 73 far 0 50 0 - 9.3-12.0 HB3 GLU 104 - HG2 LYS 53 far 0 79 0 - 9.7-18.2 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 40 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 93 100 100 93 2.5-3.0 3.0=54, 2451/3.0=28...(27) HB3 LYS 53 + HG3 LYS 53 OK 93 100 100 93 2.2-3.0 3.0=54, 2451/3.0=28...(27) HD2 LYS 20 + HG2 LYS 20 OK 87 96 100 90 2.2-2.9 2.8=61, 5.3/848=8...(58) HD3 LYS 20 + HG2 LYS 20 OK 85 95 100 90 2.3-3.0 2.8=61, 5.3/848=8...(58) HD3 LYS 12 + HG2 LYS 12 OK 76 80 100 95 2.3-3.0 3.0=53, 3.0/463=21...(57) HD2 LYS 12 + HG2 LYS 12 OK 76 80 100 95 2.4-3.0 3.0=53, 3.0/463=21...(56) HD3 LYS 47 + HG2 LYS 47 OK 58 62 100 93 2.2-3.0 3.0=54, 2195/1.8=10...(69) HD2 LYS 47 + HG2 LYS 47 OK 57 62 100 92 2.4-3.0 3.0=54, 2195/1.8=10...(61) HD2 LYS 73 + HG2 LYS 73 OK 47 52 100 91 2.2-3.0 3.0=55, 3298/1.8=19...(52) HD3 LYS 73 + HG2 LYS 73 OK 46 50 100 92 2.4-3.0 3.0=55, 3298/1.8=19...(57) HD2 LYS 39 - HG2 LYS 73 far 0 38 0 - 3.6-9.8 HG12 ILE 15 - HG2 LYS 12 far 0 85 0 - 4.6-6.6 HG LEU 70 - HG2 LYS 73 far 0 56 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 39 0 - 5.0-7.6 HB ILE 52 - HG2 LYS 53 far 0 96 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 95 0 - 5.3-9.6 HD3 LYS 13 - HG2 LYS 12 far 0 78 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 95 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 80 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 95 0 - 6.0-7.4 HD3 LYS 90 - HG2 LYS 20 far 0 95 0 - 6.1-12.4 HB3 ARG 79 - HG3 LYS 53 far 0 74 0 - 6.1-10.7 HB ILE 52 - HG2 LYS 47 far 0 57 0 - 6.3-10.0 HB3 ARG 79 - HG2 LYS 53 far 0 75 0 - 7.0-10.0 HD3 LYS 66 - HG2 LYS 73 far 0 53 0 - 7.1-13.1 HD2 LYS 33 - HG2 LYS 12 far 0 45 0 - 7.3-10.0 HD3 LYS 33 - HG2 LYS 12 far 0 45 0 - 7.3-10.2 HB2 LEU 2 - HG3 LYS 53 far 0 95 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 47 far 0 56 0 - 7.6-12.5 HB2 LEU 2 - HG2 LYS 53 far 0 96 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 90 0 - 8.7-13.0 HD2 LYS 20 - HG2 LYS 12 far 0 85 0 - 8.8-13.1 HD3 LYS 12 - HG2 LYS 20 far 0 92 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 92 0 - 9.1-12.9 HD2 LYS 68 - HG2 LYS 73 far 0 36 0 - 9.2-12.3 HD2 LYS 12 - HG2 LYS 20 far 0 92 0 - 9.5-14.5 HD3 LYS 68 - HG2 LYS 73 far 0 35 0 - 9.7-13.1 HD3 LYS 20 - HG2 LYS 12 far 0 83 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 96 0 - 9.8-12.6 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 27 assignments used, quality = 1.00: * HD3 LYS 53 + HG2 LYS 53 OK 98 100 100 98 2.6-3.0 3.0=70, 2451/3.0=33...(46) HD3 LYS 53 + HG3 LYS 53 OK 97 100 100 97 2.4-3.0 3.0=70, 2451/3.0=33...(45) HG2 ARG 19 - HG2 LYS 20 far 7 66 10 - 2.9-7.4 HB2 LEU 3 - HG3 LYS 53 far 0 100 0 - 4.7-8.5 HG2 ARG 79 - HG3 LYS 53 far 0 93 0 - 4.9-9.8 HG3 ARG 79 - HG3 LYS 53 far 0 94 0 - 5.0-10.2 HG3 LYS 90 - HG2 LYS 20 far 0 68 0 - 5.5-10.5 HG2 ARG 79 - HG2 LYS 53 far 0 94 0 - 5.6-9.4 HG LEU 2 - HG2 LYS 47 far 0 33 0 - 5.6-11.1 HB2 LEU 3 - HG2 LYS 53 far 0 100 0 - 5.7-7.9 HG LEU 2 - HG3 LYS 53 far 0 62 0 - 5.7-10.0 HG2 LYS 24 - HG2 LYS 20 far 0 64 0 - 6.1-9.6 HG3 ARG 79 - HG2 LYS 53 far 0 95 0 - 6.1-9.6 HG LEU 2 - HG2 LYS 53 far 0 63 0 - 6.1-8.9 HG LEU 103 - HG2 LYS 53 far 0 77 0 - 7.0-14.4 HG2 ARG 19 - HG2 LYS 12 far 0 56 0 - 7.1-12.2 HG LEU 103 - HG3 LYS 53 far 0 76 0 - 7.9-13.4 HB2 LEU 14 - HG2 LYS 12 far 0 61 0 - 7.9-9.2 HG2 LYS 33 - HG2 LYS 12 far 0 86 0 - 8.6-11.0 HB3 LEU 103 - HG2 LYS 53 far 0 79 0 - 8.9-14.9 HB2 LEU 103 - HG2 LYS 53 far 0 71 0 - 8.9-14.5 HB2 LEU 103 - HG3 LYS 53 far 0 70 0 - 9.3-14.6 HB3 LEU 103 - HG3 LYS 53 far 0 78 0 - 9.6-14.9 HB ILE 7 - HG2 LYS 20 far 0 72 0 - 9.6-12.7 HG12 ILE 56 - HG3 LYS 53 far 0 89 0 - 9.8-12.5 HB ILE 7 - HG2 LYS 12 far 0 61 0 - 9.8-11.2 HB3 GLU 28 - HG3 LYS 53 far 0 98 0 - 10.0-12.5 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 2.3-4.2 3.9=70, 3.0/2433=36...(46) HE3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.1-4.2 3.9=70, 3.0/2433=36...(45) HE2 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.1-4.2 3.9=70, 3.0/2433=36...(45) HE3 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.1-3.7 3.9=70, 3.0/2433=36...(45) HE2 LYS 90 - HG2 LYS 20 far 0 88 0 - 6.1-12.5 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 2.1-4.2 3.9=70, 3.0/2433=36...(45) HE2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.3-4.2 3.9=70, 3.0/2433=36...(46) HE3 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.1-3.7 3.9=70, 3.0/2433=36...(45) HE2 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.1-4.2 3.9=70, 3.0/2433=36...(45) HE2 LYS 39 - HG2 LYS 73 far 1 30 5 - 4.1-10.5 HE2 LYS 90 - HG2 LYS 20 far 0 84 0 - 6.1-12.5 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (8.49, 1.46, 25.00 ppm; 4.21 A): 4 out of 14 assignments used, quality = 1.00: * H VAL 54 + HG2 LYS 53 OK 100 100 100 100 4.5-5.1 6887/3.0=74, 6886/3.9=67...(18) H LYS 53 + HG2 LYS 53 OK 88 88 100 100 3.1-3.5 5.0=58, 6876/3.0=35...(27) H LYS 53 + HG3 LYS 53 OK 87 87 100 100 3.0-4.6 5.0=58, 6876/3.0=35...(26) H VAL 54 + HG3 LYS 53 OK 50 100 50 100 4.2-5.6 6887/3.0=74, 6886/3.9=67...(17) H LEU 2 - HG3 LYS 53 far 0 92 0 - 5.2-9.3 H LEU 2 - HG2 LYS 53 far 0 93 0 - 5.2-7.8 H ARG 79 - HG3 LYS 53 far 0 98 0 - 5.7-9.0 H ARG 79 - HG2 LYS 53 far 0 99 0 - 6.5-8.2 H VAL 32 - HG2 LYS 12 far 0 84 0 - 8.6-10.5 H LEU 29 - HG2 LYS 20 far 0 55 0 - 8.9-11.3 H ALA 67 - HG2 LYS 73 far 0 57 0 - 9.0-11.2 H LEU 2 - HG2 LYS 47 far 0 53 0 - 9.1-14.1 H LYS 53 - HG2 LYS 47 far 0 49 0 - 9.4-13.0 H THR 31 - HG2 LYS 12 far 0 86 0 - 9.4-11.3 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 11 assignments used, quality = 1.00: * H LYS 53 + HG3 LYS 53 OK 100 100 100 100 3.0-4.6 5.0=67, 6876/3.0=44...(27) H LYS 53 + HG2 LYS 53 OK 100 100 100 100 3.1-3.5 5.0=67, 6876/3.0=44...(27) H VAL 54 + HG2 LYS 53 OK 87 87 100 100 4.5-5.1 6887/3.0=67, 6886/3.9=61...(18) H VAL 54 + HG3 LYS 53 OK 48 88 55 100 4.2-5.6 6887/3.0=67, 6886/3.9=61...(18) H ARG 79 - HG3 LYS 53 far 0 73 0 - 5.7-9.0 H ARG 79 - HG2 LYS 53 far 0 72 0 - 6.5-8.2 H VAL 32 - HG2 LYS 12 far 0 71 0 - 8.6-10.5 H LEU 29 - HG2 LYS 20 far 0 87 0 - 8.9-11.3 H ALA 67 - HG2 LYS 73 far 0 68 0 - 9.0-11.2 H LYS 53 - HG2 LYS 47 far 0 76 0 - 9.4-13.0 H THR 31 - HG2 LYS 12 far 0 53 0 - 9.4-11.3 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 2 assignments used, quality = 1.00: * HA LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.6-3.7 3.9=100 HA LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.5-3.0 3.9=100 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 2.2-3.0 3.0=100 HB2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 12 + HG2 LYS 12 OK 61 61 100 100 2.2-3.0 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 58 58 100 100 2.6-3.0 3.0=100 HB3 LYS 12 - HG3 LYS 13 poor 6 45 65 22 3.7-5.5 4.2/6177=20, 402/3.8=1 HB2 LYS 12 - HG3 LYS 13 far 0 47 0 - 4.3-6.3 HB3 LYS 90 - HG2 LYS 20 far 0 92 0 - 5.0-11.0 HG2 ARG 46 - HG2 LYS 47 far 0 68 0 - 5.0-8.7 HB2 LYS 90 - HG2 LYS 20 far 0 69 0 - 5.6-11.4 HB3 LYS 39 - HG2 LYS 73 far 0 61 0 - 6.6-10.9 HB ILE 93 - HG2 LYS 20 far 0 53 0 - 7.2-10.8 HB2 LEU 42 - HG2 LYS 73 far 0 44 0 - 7.2-11.0 HB2 LYS 68 - HG2 LYS 73 far 0 73 0 - 7.6-10.7 HB3 LYS 68 - HG2 LYS 73 far 0 49 0 - 7.9-11.6 HB2 GLU 104 - HG2 LYS 53 far 0 72 0 - 8.1-16.6 HB2 GLU 104 - HG3 LYS 53 far 0 73 0 - 8.6-15.5 HG2 ARG 46 - HG2 LYS 73 far 0 66 0 - 8.7-14.1 HB2 LEU 42 - HG2 LYS 47 far 0 45 0 - 8.8-12.1 HB2 LYS 12 - HG2 LYS 20 far 0 78 0 - 9.3-11.3 HB3 LYS 66 - HG2 LYS 73 far 0 62 0 - 9.3-12.0 HB3 GLU 104 - HG2 LYS 53 far 0 78 0 - 9.7-18.2 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 50 assignments used, quality = 1.00: * HB3 LYS 53 + HG3 LYS 53 OK 92 100 100 92 2.2-3.0 3.0=53, 2451/3.0=27...(27) HB3 LYS 53 + HG2 LYS 53 OK 92 100 100 93 2.5-3.0 3.0=53, 2451/3.0=27...(27) 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 2.2-2.9 2.8=60, 5.3/848=8...(55) HD3 LYS 20 + HG2 LYS 20 OK 81 90 100 90 2.3-3.0 2.8=60, 5.3/848=8...(57) HD3 LYS 47 + HG2 LYS 47 OK 69 75 100 92 2.2-3.0 3.0=53, 2195/1.8=10...(66) HD2 LYS 47 + HG2 LYS 47 OK 69 75 100 91 2.4-3.0 3.0=53, 2195/1.8=10...(55) HD3 LYS 12 + HG2 LYS 12 OK 65 69 100 94 2.3-3.0 3.0=52, 3.0/463=19...(53) HD2 LYS 12 + HG2 LYS 12 OK 65 69 100 94 2.4-3.0 3.0=52, 3.0/463=19...(52) HD2 LYS 73 + HG2 LYS 73 OK 58 64 100 91 2.2-3.0 3.0=54, 3298/1.8=19...(53) HD3 LYS 73 + HG2 LYS 73 OK 57 62 100 91 2.4-3.0 3.0=54, 3298/1.8=19...(57) HD2 LYS 13 + HG3 LYS 13 OK 47 54 100 86 2.4-3.0 3.0=54, 487/3.9=8...(41) HD3 LYS 13 + HG3 LYS 13 OK 45 53 100 86 2.2-3.0 3.0=54, 487/3.9=8...(41) HD2 LYS 39 - HG2 LYS 73 far 0 48 0 - 3.6-9.8 HG12 ILE 15 - HG2 LYS 12 far 0 74 0 - 4.6-6.6 HG LEU 70 - HG2 LYS 73 far 0 68 0 - 4.8-7.1 HB3 LEU 70 - HG2 LYS 73 far 0 49 0 - 5.0-7.6 HB ILE 52 - HG2 LYS 53 far 0 95 0 - 5.3-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 5.3-9.6 HD3 LYS 12 - HG3 LYS 13 far 0 54 0 - 5.7-8.9 HD3 LYS 13 - HG2 LYS 12 far 0 67 0 - 5.7-9.5 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 5.8-10.1 HD2 LYS 13 - HG2 LYS 12 far 0 69 0 - 5.9-9.4 HB ILE 52 - HG3 LYS 53 far 0 96 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 54 0 - 6.1-9.0 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 6.1-12.4 HB3 ARG 79 - HG3 LYS 53 far 0 75 0 - 6.1-10.7 HB ILE 52 - HG2 LYS 47 far 0 69 0 - 6.3-10.0 HG2 PRO 86 - HG3 LYS 13 far 0 59 0 - 6.9-8.7 HB3 ARG 79 - HG2 LYS 53 far 0 74 0 - 7.0-10.0 HD3 LYS 66 - HG2 LYS 73 far 0 66 0 - 7.1-13.1 HD2 LYS 33 - HG2 LYS 12 far 0 38 0 - 7.3-10.0 HD3 LYS 33 - HG2 LYS 12 far 0 38 0 - 7.3-10.2 HB2 LEU 2 - HG3 LYS 53 far 0 96 0 - 7.4-10.5 HB2 LEU 2 - HG2 LYS 47 far 0 68 0 - 7.6-12.5 HD3 LYS 20 - HG3 LYS 13 far 0 57 0 - 8.0-12.9 HB2 LEU 2 - HG2 LYS 53 far 0 95 0 - 8.1-9.3 HD2 LYS 20 - HG3 LYS 13 far 0 58 0 - 8.2-12.0 HD3 LYS 13 - HG2 LYS 20 far 0 86 0 - 8.7-13.0 HG12 ILE 15 - HG3 LYS 13 far 0 58 0 - 8.8-10.4 HD2 LYS 20 - HG2 LYS 12 far 0 74 0 - 8.8-13.1 HD3 LYS 12 - HG2 LYS 20 far 0 87 0 - 9.1-14.0 HD2 LYS 13 - HG2 LYS 20 far 0 87 0 - 9.1-12.9 HD2 LYS 68 - HG2 LYS 73 far 0 45 0 - 9.2-12.3 HG3 LYS 20 - HG3 LYS 13 far 0 57 0 - 9.3-14.0 HD2 LYS 12 - HG2 LYS 20 far 0 87 0 - 9.5-14.5 HD3 LYS 90 - HG3 LYS 13 far 0 57 0 - 9.7-15.3 HD3 LYS 68 - HG2 LYS 73 far 0 44 0 - 9.7-13.1 HD3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.8-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 92 0 - 9.8-12.6 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 28 assignments used, quality = 1.00: HD3 LYS 53 + HG2 LYS 53 OK 93 100 100 94 2.6-3.0 3.0=53, 2451/3.0=27...(44) * HD3 LYS 53 + HG3 LYS 53 OK 93 100 100 93 2.4-3.0 3.0=53, 2451/3.0=27...(43) HG2 ARG 19 - HG2 LYS 20 far 6 62 10 - 2.9-7.4 HB2 LEU 3 - HG3 LYS 53 far 0 100 0 - 4.7-8.5 HG2 ARG 79 - HG3 LYS 53 far 0 94 0 - 4.9-9.8 HG3 ARG 79 - HG3 LYS 53 far 0 95 0 - 5.0-10.2 HG3 LYS 90 - HG2 LYS 20 far 0 64 0 - 5.5-10.5 HG2 ARG 79 - HG2 LYS 53 far 0 93 0 - 5.6-9.4 HG LEU 2 - HG2 LYS 47 far 0 41 0 - 5.6-11.1 HB2 LEU 3 - HG2 LYS 53 far 0 100 0 - 5.7-7.9 HG LEU 2 - HG3 LYS 53 far 0 63 0 - 5.7-10.0 HB2 LEU 14 - HG3 LYS 13 far 0 39 0 - 5.9-7.1 HG2 LYS 24 - HG2 LYS 20 far 0 60 0 - 6.1-9.6 HG3 ARG 79 - HG2 LYS 53 far 0 94 0 - 6.1-9.6 HG LEU 2 - HG2 LYS 53 far 0 62 0 - 6.1-8.9 HG LEU 103 - HG2 LYS 53 far 0 76 0 - 7.0-14.4 HG2 ARG 19 - HG2 LYS 12 far 0 47 0 - 7.1-12.2 HG LEU 103 - HG3 LYS 53 far 0 77 0 - 7.9-13.4 HB2 LEU 14 - HG2 LYS 12 far 0 51 0 - 7.9-9.2 HG2 LYS 33 - HG2 LYS 12 far 0 75 0 - 8.6-11.0 HB3 LEU 103 - HG2 LYS 53 far 0 78 0 - 8.9-14.9 HB2 LEU 103 - HG2 LYS 53 far 0 70 0 - 8.9-14.5 HB2 LEU 103 - HG3 LYS 53 far 0 71 0 - 9.3-14.6 HB3 LEU 103 - HG3 LYS 53 far 0 79 0 - 9.6-14.9 HB ILE 7 - HG2 LYS 20 far 0 67 0 - 9.6-12.7 HG12 ILE 56 - HG3 LYS 53 far 0 91 0 - 9.8-12.5 HB ILE 7 - HG2 LYS 12 far 0 51 0 - 9.8-11.2 HB3 GLU 28 - HG3 LYS 53 far 0 99 0 - 10.0-12.5 Violated in 10 structures by 0.03 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 2.1-4.2 3.9=72, 3.0/2433=37...(45) HE3 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.1-3.7 3.9=72, 3.0/2433=37...(45) HE2 LYS 53 + HG2 LYS 53 OK 99 100 100 100 2.3-4.2 3.9=72, 3.0/2433=37...(46) HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 100 2.1-4.2 3.9=72, 3.0/2433=37...(46) HE2 LYS 90 - HG2 LYS 20 far 0 83 0 - 6.1-12.5 HE2 LYS 90 - HG3 LYS 13 far 0 51 0 - 8.8-14.4 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 2.1-3.7 3.9=72, 3.0/2433=37...(45) HE2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.1-4.2 3.9=72, 3.0/2433=37...(45) HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 100 2.1-4.2 3.9=72, 3.0/2433=37...(46) HE2 LYS 53 + HG2 LYS 53 OK 99 100 100 100 2.3-4.2 3.9=72, 3.0/2433=37...(46) HE2 LYS 39 - HG2 LYS 73 far 2 38 5 - 4.1-10.5 HE2 LYS 90 - HG2 LYS 20 far 0 80 0 - 6.1-12.5 HE2 LYS 90 - HG3 LYS 13 far 0 48 0 - 8.8-14.4 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (8.49, 1.47, 25.00 ppm; 4.20 A): 4 out of 14 assignments used, quality = 1.00: H VAL 54 + HG2 LYS 53 OK 100 100 100 100 4.5-5.1 6887/3.0=74, 6886/3.9=67...(18) H LYS 53 + HG3 LYS 53 OK 88 88 100 100 3.0-4.6 5.0=58, 6876/3.0=35...(27) H LYS 53 + HG2 LYS 53 OK 87 87 100 100 3.1-3.5 5.0=58, 6876/3.0=35...(27) * H VAL 54 + HG3 LYS 53 OK 50 100 50 100 4.2-5.6 6887/3.0=74, 6886/3.9=67...(18) H LEU 2 - HG3 LYS 53 far 0 93 0 - 5.2-9.3 H LEU 2 - HG2 LYS 53 far 0 92 0 - 5.2-7.8 H ARG 79 - HG3 LYS 53 far 0 99 0 - 5.7-9.0 H ARG 79 - HG2 LYS 53 far 0 98 0 - 6.5-8.2 H VAL 32 - HG2 LYS 12 far 0 73 0 - 8.6-10.5 H LEU 29 - HG2 LYS 20 far 0 51 0 - 8.9-11.3 H ALA 67 - HG2 LYS 73 far 0 70 0 - 9.0-11.2 H LEU 2 - HG2 LYS 47 far 0 65 0 - 9.1-14.1 H LYS 53 - HG2 LYS 47 far 0 61 0 - 9.4-13.0 H THR 31 - HG2 LYS 12 far 0 75 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (8.47, 1.46, 29.44 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 53 + HD2 LYS 53 OK 100 100 100 100 4.4-5.4 5.9=86, 3.0/2438=82...(23) H VAL 54 + HD2 LYS 53 OK 66 88 75 100 4.6-6.8 6887/3.6=77, 3.6/2438=75...(11) H ARG 79 - HD2 LYS 53 poor 18 73 25 - 5.2-9.2 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 3.3-5.0 2389/1.8=83, 5.3=77...(54) Violated in 2 structures by 0.01 A. Peak 2439 from cnoeabs.peaks (1.84, 1.46, 29.44 ppm; 3.98 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.3-4.0 3.6=100 HB3 LYS 90 - HB2 ARG 91 far 6 57 10 - 4.2-7.4 HB2 LYS 90 - HB2 ARG 91 far 4 39 10 - 4.3-7.4 HB2 GLU 88 - HB2 ARG 91 far 0 36 0 - 5.3-7.6 HB2 GLU 104 - HD2 LYS 53 far 0 73 0 - 5.8-15.4 HB ILE 93 - HB2 ARG 91 far 0 29 0 - 7.0-7.7 HB3 GLU 104 - HD2 LYS 53 far 0 79 0 - 7.5-16.9 HB3 LEU 57 - HB2 ARG 91 far 0 51 0 - 9.9-12.6 Violated in 1 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 = 0.98: * HB3 LYS 53 + HD2 LYS 53 OK 94 100 95 99 2.5-4.0 2451/1.8=60, 3.6=53...(47) 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 10 55 40 45 2.1-8.5 7438/3.9=11, 4015/3.0=7...(11) HB3 ARG 79 - HD2 LYS 53 far 0 75 0 - 5.3-10.5 HB ILE 52 - HD2 LYS 53 far 0 96 0 - 7.2-8.3 HB2 LEU 2 - HD2 LYS 53 far 0 96 0 - 8.3-11.2 HG2 PRO 86 - HB2 ARG 91 far 0 57 0 - 8.6-12.7 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 10 assignments used, quality = 1.00: * HD3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 79 - HD2 LYS 53 far 0 94 0 - 4.6-9.9 HG3 ARG 79 - HD2 LYS 53 far 0 95 0 - 4.7-9.9 HG3 LYS 90 - HB2 ARG 91 far 0 36 0 - 5.0-8.3 HB2 LEU 3 - HD2 LYS 53 far 0 100 0 - 5.7-8.6 HG LEU 103 - HD2 LYS 53 far 0 77 0 - 5.9-13.7 HB2 LEU 103 - HD2 LYS 53 far 0 71 0 - 7.3-13.2 HG LEU 2 - HD2 LYS 53 far 0 63 0 - 7.3-10.8 HB3 LEU 103 - HD2 LYS 53 far 0 79 0 - 7.5-13.4 HG12 ILE 56 - HD2 LYS 53 far 0 91 0 - 9.9-14.7 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 - 4.7-9.6 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 - 4.7-9.6 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 = 0.94: H LYS 53 + HD2 LYS 53 OK 88 88 100 100 4.4-5.4 3.0/2438=71, 5.9=64...(23) * H VAL 54 + HD2 LYS 53 OK 45 100 45 100 4.6-6.8 6887/3.6=83, 6888/3.6=74...(11) H ARG 79 - HD2 LYS 53 far 15 99 15 - 5.2-9.2 H LEU 2 - HD2 LYS 53 far 9 93 10 - 5.6-10.0 Violated in 2 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 3.8-5.5 3.9/2451=92, 5.9=89...(18) H VAL 54 + HD3 LYS 53 OK 88 88 100 100 4.4-6.2 4.4/2451=87, 6887/3.6=78...(12) H ARG 79 - HD3 LYS 53 poor 18 73 25 - 5.7-8.7 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 3.7-4.6 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 3 assignments used, quality = 1.00: * HB2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.1-3.4 3.6=100 HB2 GLU 104 - HD3 LYS 53 far 0 73 0 - 6.4-15.3 HB3 GLU 104 - HD3 LYS 53 far 0 79 0 - 8.0-16.9 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 2.2-3.2 3.6=67, 2440/1.8=44...(43) HB3 ARG 79 - HD3 LYS 53 far 0 75 0 - 5.6-9.8 HB ILE 52 - HD3 LYS 53 far 0 96 0 - 6.8-8.5 HB2 LEU 2 - HD3 LYS 53 far 0 96 0 - 8.4-11.1 Violated in 3 structures by 0.01 A. Peak 2452 from cnoeabs.peaks (1.46, 1.55, 29.44 ppm; 2.44 A): 3 out of 4 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 2.6-3.0 3.0=56, 1.8/2433=31...(48) HG3 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.4-3.0 3.0=56, 1.8/2433=31...(47) HG13 ILE 52 - HD3 LYS 53 far 0 100 0 - 6.3-8.6 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 4 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 2.4-3.0 3.0=56, 1.8/2433=31...(47) HG2 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.6-3.0 3.0=56, 1.8/2433=31...(48) HG13 ILE 52 - HD3 LYS 53 far 0 99 0 - 6.3-8.6 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 4 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 2.6-3.0 3.0=56, 1.8/2433=31...(48) HG3 LYS 53 + HD3 LYS 53 OK 95 99 100 96 2.4-3.0 3.0=56, 1.8/2433=31...(47) HG13 ILE 52 - HD3 LYS 53 far 0 100 0 - 6.3-8.6 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 2.2-2.9 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 2.2-2.9 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 4.4-6.2 6887/3.6=89...(12) H LYS 53 + HD3 LYS 53 OK 88 88 100 100 3.8-5.5 3.9/2451=89, 3.0/2389=79...(18) H ARG 79 - HD3 LYS 53 far 10 99 10 - 5.7-8.7 H LEU 2 - HD3 LYS 53 far 5 93 5 - 6.1-9.6 Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 5.70 A): 3 out of 7 assignments used, quality = 0.91: * H LYS 53 + HE2 LYS 53 OK 70 100 70 100 5.2-7.0 ~2389=52, ~2438=52...(20) H LYS 53 + HE3 LYS 53 OK 60 100 60 100 5.5-6.8 ~2389=52, ~2438=52...(19) H VAL 54 + HE3 LYS 53 OK 26 88 30 99 4.9-7.8 6887/5.0=64, 6888/5.0=57...(10) H VAL 54 - HE2 LYS 53 poor 18 88 20 - 5.1-7.9 H ARG 79 - HE3 LYS 53 far 7 73 10 - 6.2-9.9 H ARG 79 - HE2 LYS 53 far 4 73 5 - 6.0-9.7 H ALA 67 - HE3 LYS 82 far 0 45 0 - 8.1-11.7 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 4.5-6.0 6.0=98, 2438/3.0=88...(37) HA LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.5-6.2 6.0=98, 2438/3.0=88...(38) HA SER 59 + HE3 LYS 82 OK 40 41 100 97 3.7-6.3 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 16 assignments used, quality = 1.00: * HB2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.8-4.9 5.0=51, ~2451=46...(45) HB2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.1-4.9 5.0=51, ~2451=46...(46) HB3 LYS 90 + HE2 LYS 90 OK 83 83 100 100 3.5-4.9 4.8=58, ~4005=44...(40) HB2 LYS 90 + HE2 LYS 90 OK 57 60 95 100 3.0-5.2 4.8=58, ~4005=44...(45) HB2 GLU 104 - HE2 LYS 53 far 0 73 0 - 6.0-15.1 HB2 GLU 88 - HE2 LYS 90 far 0 56 0 - 6.4-9.0 HB ILE 93 - HE2 LYS 90 far 0 46 0 - 6.5-9.4 HB3 LEU 57 - HE2 LYS 90 far 0 76 0 - 7.4-13.2 HB2 GLU 88 - HE3 LYS 82 far 0 29 0 - 7.6-10.8 HB2 GLU 104 - HE3 LYS 53 far 0 73 0 - 7.7-13.8 HB3 GLU 104 - HE2 LYS 53 far 0 79 0 - 7.8-16.5 HB3 LYS 68 - HE3 LYS 82 far 0 31 0 - 8.0-13.5 HB2 LYS 68 - HE3 LYS 82 far 0 48 0 - 8.4-13.2 HB3 LYS 66 - HE3 LYS 82 far 0 40 0 - 8.9-13.0 HB3 GLU 104 - HE3 LYS 53 far 0 78 0 - 9.4-15.2 HB3 LEU 57 - HE3 LYS 82 far 0 42 0 - 9.5-11.3 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 21 assignments used, quality = 0.99: * HB3 LYS 53 + HE2 LYS 53 OK 85 100 85 100 2.5-5.2 2451/3.0=70, 5.0=45...(43) HD3 LYS 90 + HE2 LYS 90 OK 81 81 100 100 2.3-3.0 3.0=100 HB3 LYS 53 + HE3 LYS 53 OK 75 100 75 100 3.2-5.1 2451/3.0=70, 5.0=45...(43) HG2 PRO 86 - HE2 LYS 90 far 0 83 0 - 4.8-7.9 HB3 ARG 91 - HE2 LYS 90 far 0 85 0 - 4.8-8.8 HB3 ARG 79 - HE2 LYS 53 far 0 75 0 - 5.8-10.5 HD3 LYS 20 - HE2 LYS 90 far 0 81 0 - 5.8-12.8 HG3 LYS 20 - HE2 LYS 90 far 0 81 0 - 6.0-12.0 HB3 ARG 79 - HE3 LYS 53 far 0 75 0 - 6.3-11.0 HB ILE 52 - HE3 LYS 53 far 0 96 0 - 6.9-9.7 HB ILE 52 - HE2 LYS 53 far 0 96 0 - 7.0-9.6 HD2 LYS 20 - HE2 LYS 90 far 0 83 0 - 7.2-12.9 HD3 LYS 68 - HE3 LYS 82 far 0 27 0 - 7.3-12.3 HD2 LYS 68 - HE3 LYS 82 far 0 28 0 - 7.7-13.5 HD3 LYS 13 - HE2 LYS 90 far 0 76 0 - 8.1-14.5 HG12 ILE 15 - HE2 LYS 90 far 0 83 0 - 8.7-14.9 HD2 LYS 13 - HE2 LYS 90 far 0 78 0 - 8.8-13.6 HD3 LYS 66 - HE3 LYS 82 far 0 43 0 - 9.2-15.5 HB2 LEU 2 - HE2 LYS 53 far 0 96 0 - 9.3-11.7 HD3 LYS 24 - HE2 LYS 90 far 0 81 0 - 9.4-13.7 HB2 LEU 2 - HE3 LYS 53 far 0 95 0 - 9.5-11.5 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: HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(19) HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) HG3 LYS 53 + HE2 LYS 53 OK 86 100 90 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HG3 LYS 53 + HE3 LYS 53 OK 86 100 90 96 2.1-3.7 3.9=36, 2433/3.0=25...(40) * HG2 LYS 53 + HE2 LYS 53 OK 77 100 80 96 2.3-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE3 LYS 53 OK 57 100 60 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HD2 LYS 82 + HE3 LYS 82 OK 43 48 100 88 2.6-3.0 3.0=81, 3.5/3668=19...(4) HG3 ARG 91 - HE2 LYS 90 lone 3 81 25 13 2.9-10.7 10285/3.8=4, ~4039=4...(5) HB3 LEU 64 - HE3 LYS 82 far 2 34 5 - 3.3-6.4 HG LEU 64 - HE3 LYS 82 far 0 42 0 - 4.6-8.6 HB2 ARG 91 - HE2 LYS 90 far 0 69 0 - 4.7-9.6 HG2 LYS 20 - HE2 LYS 90 far 0 84 0 - 6.1-12.5 HG LEU 57 - HE2 LYS 90 far 0 46 0 - 6.8-11.4 HG12 ILE 7 - HE2 LYS 90 far 0 44 0 - 7.0-13.1 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.7-9.5 QB ALA 22 - HE2 LYS 90 far 0 62 0 - 8.4-11.2 HG3 LYS 13 - HE2 LYS 90 far 0 52 0 - 8.8-14.4 HG LEU 29 - HE2 LYS 90 far 0 62 0 - 9.6-14.8 HG2 LYS 13 - HE2 LYS 90 far 0 54 0 - 9.7-13.8 HG2 LYS 66 - HE3 LYS 82 far 0 33 0 - 9.8-14.9 HG LEU 57 - HE3 LYS 82 far 0 24 0 - 9.8-11.7 HG12 ILE 7 - HE3 LYS 82 far 0 23 0 - 10.0-11.9 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 21 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 9192/9198=10...(19) HD2 LYS 53 + HE3 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) * HG3 LYS 53 + HE2 LYS 53 OK 86 100 90 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HG3 LYS 53 + HE3 LYS 53 OK 86 100 90 96 2.1-3.7 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE2 LYS 53 OK 77 100 80 96 2.3-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE3 LYS 53 OK 57 100 60 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HD2 LYS 82 + HE3 LYS 82 OK 41 47 100 88 2.6-3.0 3.0=81, 3.5/3668=19...(4) HG3 ARG 91 - HE2 LYS 90 poor 19 77 25 - 2.9-10.7 HB3 LEU 64 - HE3 LYS 82 far 2 38 5 - 3.3-6.4 HG LEU 64 - HE3 LYS 82 far 0 45 0 - 4.6-8.6 HB2 ARG 91 - HE2 LYS 90 far 0 75 0 - 4.7-9.6 HG2 LYS 20 - HE2 LYS 90 far 0 81 0 - 6.1-12.5 HG LEU 57 - HE2 LYS 90 far 0 54 0 - 6.8-11.4 HG13 ILE 52 - HE2 LYS 53 far 0 99 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 98 0 - 7.7-9.5 QB ALA 22 - HE2 LYS 90 far 0 54 0 - 8.4-11.2 HG3 LYS 13 - HE2 LYS 90 far 0 60 0 - 8.8-14.4 HG LEU 29 - HE2 LYS 90 far 0 54 0 - 9.6-14.8 HG2 LYS 13 - HE2 LYS 90 far 0 46 0 - 9.7-13.8 HG2 LYS 66 - HE3 LYS 82 far 0 38 0 - 9.8-14.9 HG LEU 57 - HE3 LYS 82 far 0 28 0 - 9.8-11.7 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 21 assignments used, quality = 1.00: * HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) HG3 LYS 53 + HE2 LYS 53 OK 86 99 90 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HG3 LYS 53 + HE3 LYS 53 OK 85 99 90 96 2.1-3.7 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE2 LYS 53 OK 77 100 80 96 2.3-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE3 LYS 53 OK 57 100 60 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HD2 LYS 82 + HE3 LYS 82 OK 43 49 100 88 2.6-3.0 3.0=81, 3.5/3668=19...(4) HG3 ARG 91 - HE2 LYS 90 lone 3 83 25 13 2.9-10.7 10285/3.8=4, ~4039=4...(5) HB3 LEU 64 - HE3 LYS 82 far 2 30 5 - 3.3-6.4 HG LEU 64 - HE3 LYS 82 far 0 39 0 - 4.6-8.6 HB2 ARG 91 - HE2 LYS 90 far 0 63 0 - 4.7-9.6 HG2 LYS 20 - HE2 LYS 90 far 0 85 0 - 6.1-12.5 HG12 ILE 7 - HE2 LYS 90 far 0 51 0 - 7.0-13.1 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.7-9.5 QB ALA 22 - HE2 LYS 90 far 0 68 0 - 8.4-11.2 HG3 LYS 13 - HE2 LYS 90 far 0 46 0 - 8.8-14.4 HG LEU 29 - HE2 LYS 90 far 0 68 0 - 9.6-14.8 HG2 LYS 13 - HE2 LYS 90 far 0 60 0 - 9.7-13.8 HG2 LYS 66 - HE3 LYS 82 far 0 29 0 - 9.8-14.9 HG12 ILE 7 - HE3 LYS 82 far 0 26 0 - 10.0-11.9 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 2.2-2.9 3.0=100 HG3 LYS 90 + HE2 LYS 90 OK 52 56 100 93 2.1-3.7 3.8=61, ~4005=37...(22) HD3 LYS 82 + HE3 LYS 82 OK 44 44 100 100 2.4-3.0 3.0=100 HG3 ARG 79 - HE3 LYS 53 far 5 94 5 - 4.1-10.7 HG3 ARG 79 - HE2 LYS 53 far 0 95 0 - 4.2-10.1 HG2 ARG 79 - HE2 LYS 53 far 0 94 0 - 4.7-10.6 HG LEU 103 - HE2 LYS 53 far 0 77 0 - 4.8-12.4 HG2 ARG 79 - HE3 LYS 53 far 0 94 0 - 4.9-10.2 HG LEU 103 - HE3 LYS 53 far 0 77 0 - 5.4-11.4 HB2 LEU 14 - HE2 LYS 90 far 0 59 0 - 5.6-11.2 HB2 LEU 3 - HE3 LYS 53 far 0 100 0 - 5.7-9.4 HB2 LEU 103 - HE2 LYS 53 far 0 71 0 - 6.1-12.6 HB2 LEU 3 - HE2 LYS 53 far 0 100 0 - 6.1-9.6 HB2 LEU 103 - HE3 LYS 53 far 0 71 0 - 7.0-11.7 HB3 LEU 103 - HE2 LYS 53 far 0 79 0 - 7.2-12.9 HB ILE 7 - HE2 LYS 90 far 0 59 0 - 7.3-13.3 HG LEU 2 - HE2 LYS 53 far 0 63 0 - 7.9-11.5 HG LEU 2 - HE3 LYS 53 far 0 63 0 - 7.9-11.9 HB3 LEU 103 - HE3 LYS 53 far 0 78 0 - 7.9-12.0 HG2 LYS 24 - HE2 LYS 90 far 0 52 0 - 8.7-11.3 HG2 ARG 19 - HE2 LYS 90 far 0 54 0 - 9.4-14.5 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): 2 out of 9 assignments used, quality = 0.67: H LYS 53 + HE2 LYS 53 OK 57 88 65 100 5.2-7.0 2447/3.0=46, ~2389=42...(20) H LYS 53 + HE3 LYS 53 OK 22 88 25 100 5.5-6.8 2447/3.0=46, ~2389=42...(19) H VAL 54 - HE3 LYS 53 far 15 100 15 - 4.9-7.8 ! H VAL 54 - HE2 LYS 53 far 10 100 10 - 5.1-7.9 H ARG 79 - HE2 LYS 53 far 5 99 5 - 6.0-9.7 H ARG 79 - HE3 LYS 53 far 0 99 0 - 6.2-9.9 H LEU 2 - HE2 LYS 53 far 0 93 0 - 6.3-10.1 H LEU 2 - HE3 LYS 53 far 0 93 0 - 6.4-10.2 H ALA 67 - HE3 LYS 82 far 0 46 0 - 8.1-11.7 Violated in 17 structures by 0.24 A. Peak 2470 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 5.70 A): 3 out of 7 assignments used, quality = 0.91: H LYS 53 + HE2 LYS 53 OK 70 100 70 100 5.2-7.0 ~2389=52, ~2438=52...(20) * H LYS 53 + HE3 LYS 53 OK 60 100 60 100 5.5-6.8 ~2389=52, ~2438=52...(19) H VAL 54 + HE3 LYS 53 OK 26 88 30 99 4.9-7.8 6887/5.0=64, 6888/5.0=57...(10) H VAL 54 - HE2 LYS 53 poor 18 88 20 - 5.1-7.9 H ARG 79 - HE3 LYS 53 far 7 73 10 - 6.2-9.9 H ARG 79 - HE2 LYS 53 far 4 73 5 - 6.0-9.7 H ALA 67 - HE3 LYS 82 far 0 51 0 - 8.1-11.7 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 3.5-6.2 6.0=98, 2438/3.0=88...(38) HA LYS 53 + HE2 LYS 53 OK 100 100 100 100 4.5-6.0 6.0=98, 2438/3.0=88...(37) HA SER 59 + HE3 LYS 82 OK 45 46 100 97 3.7-6.3 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 16 assignments used, quality = 1.00: * HB2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.1-4.9 5.0=51, ~2451=46...(46) HB2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.8-4.9 5.0=51, ~2451=46...(45) HB3 LYS 90 + HE2 LYS 90 OK 77 77 100 100 3.5-4.9 4.8=58, ~4005=44...(39) HB2 LYS 90 + HE2 LYS 90 OK 52 55 95 100 3.0-5.2 4.8=58, ~4005=44...(45) HB2 GLU 104 - HE2 LYS 53 far 0 73 0 - 6.0-15.1 HB2 GLU 88 - HE2 LYS 90 far 0 50 0 - 6.4-9.0 HB ILE 93 - HE2 LYS 90 far 0 41 0 - 6.5-9.4 HB3 LEU 57 - HE2 LYS 90 far 0 70 0 - 7.4-13.2 HB2 GLU 88 - HE3 LYS 82 far 0 33 0 - 7.6-10.8 HB2 GLU 104 - HE3 LYS 53 far 0 73 0 - 7.7-13.8 HB3 GLU 104 - HE2 LYS 53 far 0 78 0 - 7.8-16.5 HB3 LYS 68 - HE3 LYS 82 far 0 35 0 - 8.0-13.5 HB2 LYS 68 - HE3 LYS 82 far 0 54 0 - 8.4-13.2 HB3 LYS 66 - HE3 LYS 82 far 0 45 0 - 8.9-13.0 HB3 GLU 104 - HE3 LYS 53 far 0 79 0 - 9.4-15.2 HB3 LEU 57 - HE3 LYS 82 far 0 48 0 - 9.5-11.3 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 21 assignments used, quality = 0.99: HB3 LYS 53 + HE2 LYS 53 OK 85 100 85 100 2.5-5.2 2451/3.0=70, 5.0=45...(43) * HB3 LYS 53 + HE3 LYS 53 OK 75 100 75 100 3.2-5.1 2451/3.0=70, 5.0=45...(43) HD3 LYS 90 + HE2 LYS 90 OK 75 75 100 100 2.3-3.0 3.0=100 HG2 PRO 86 - HE2 LYS 90 far 0 77 0 - 4.8-7.9 HB3 ARG 91 - HE2 LYS 90 far 0 78 0 - 4.8-8.8 HB3 ARG 79 - HE2 LYS 53 far 0 75 0 - 5.8-10.5 HD3 LYS 20 - HE2 LYS 90 far 0 75 0 - 5.8-12.8 HG3 LYS 20 - HE2 LYS 90 far 0 75 0 - 6.0-12.0 HB3 ARG 79 - HE3 LYS 53 far 0 75 0 - 6.3-11.0 HB ILE 52 - HE3 LYS 53 far 0 96 0 - 6.9-9.7 HB ILE 52 - HE2 LYS 53 far 0 96 0 - 7.0-9.6 HD2 LYS 20 - HE2 LYS 90 far 0 76 0 - 7.2-12.9 HD3 LYS 68 - HE3 LYS 82 far 0 31 0 - 7.3-12.3 HD2 LYS 68 - HE3 LYS 82 far 0 32 0 - 7.7-13.5 HD3 LYS 13 - HE2 LYS 90 far 0 70 0 - 8.1-14.5 HG12 ILE 15 - HE2 LYS 90 far 0 76 0 - 8.7-14.9 HD2 LYS 13 - HE2 LYS 90 far 0 72 0 - 8.8-13.6 HD3 LYS 66 - HE3 LYS 82 far 0 48 0 - 9.2-15.5 HB2 LEU 2 - HE2 LYS 53 far 0 95 0 - 9.3-11.7 HD3 LYS 24 - HE2 LYS 90 far 0 75 0 - 9.4-13.7 HB2 LEU 2 - HE3 LYS 53 far 0 96 0 - 9.5-11.5 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: HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(19) HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) HG3 LYS 53 + HE3 LYS 53 OK 86 100 90 96 2.1-3.7 3.9=36, 2433/3.0=25...(40) HG3 LYS 53 + HE2 LYS 53 OK 86 100 90 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE2 LYS 53 OK 77 100 80 96 2.3-4.2 3.9=36, 2433/3.0=25...(40) * HG2 LYS 53 + HE3 LYS 53 OK 58 100 60 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HD2 LYS 82 + HE3 LYS 82 OK 48 54 100 89 2.6-3.0 3.0=81, 3.5/3668=20...(4) HG3 ARG 91 - HE2 LYS 90 poor 19 75 25 - 2.9-10.7 HB3 LEU 64 - HE3 LYS 82 far 2 39 5 - 3.3-6.4 HG LEU 64 - HE3 LYS 82 far 0 48 0 - 4.6-8.6 HB2 ARG 91 - HE2 LYS 90 far 0 63 0 - 4.7-9.6 HG2 LYS 20 - HE2 LYS 90 far 0 77 0 - 6.1-12.5 HG LEU 57 - HE2 LYS 90 far 0 41 0 - 6.8-11.4 HG12 ILE 7 - HE2 LYS 90 far 0 40 0 - 7.0-13.1 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.7-9.5 QB ALA 22 - HE2 LYS 90 far 0 56 0 - 8.4-11.2 HG3 LYS 13 - HE2 LYS 90 far 0 47 0 - 8.8-14.4 HG LEU 29 - HE2 LYS 90 far 0 56 0 - 9.6-14.8 HG2 LYS 13 - HE2 LYS 90 far 0 49 0 - 9.7-13.8 HG2 LYS 66 - HE3 LYS 82 far 0 38 0 - 9.8-14.9 HG LEU 57 - HE3 LYS 82 far 0 27 0 - 9.8-11.7 HG12 ILE 7 - HE3 LYS 82 far 0 26 0 - 10.0-11.9 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 21 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 9192/9198=10...(19) HD2 LYS 53 + HE3 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) HG3 LYS 53 + HE2 LYS 53 OK 86 100 90 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) * HG3 LYS 53 + HE3 LYS 53 OK 86 100 90 96 2.1-3.7 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE2 LYS 53 OK 77 100 80 96 2.3-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE3 LYS 53 OK 57 100 60 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HD2 LYS 82 + HE3 LYS 82 OK 47 53 100 89 2.6-3.0 3.0=81, 3.5/3668=20...(4) HG3 ARG 91 - HE2 LYS 90 poor 18 71 25 - 2.9-10.7 HB3 LEU 64 - HE3 LYS 82 far 2 43 5 - 3.3-6.4 HG LEU 64 - HE3 LYS 82 far 0 51 0 - 4.6-8.6 HB2 ARG 91 - HE2 LYS 90 far 0 69 0 - 4.7-9.6 HG2 LYS 20 - HE2 LYS 90 far 0 75 0 - 6.1-12.5 HG LEU 57 - HE2 LYS 90 far 0 49 0 - 6.8-11.4 HG13 ILE 52 - HE2 LYS 53 far 0 98 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 99 0 - 7.7-9.5 QB ALA 22 - HE2 LYS 90 far 0 49 0 - 8.4-11.2 HG3 LYS 13 - HE2 LYS 90 far 0 55 0 - 8.8-14.4 HG LEU 29 - HE2 LYS 90 far 0 49 0 - 9.6-14.8 HG2 LYS 13 - HE2 LYS 90 far 0 41 0 - 9.7-13.8 HG2 LYS 66 - HE3 LYS 82 far 0 43 0 - 9.8-14.9 HG LEU 57 - HE3 LYS 82 far 0 32 0 - 9.8-11.7 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 21 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) * HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 9192/9198=10...(18) HG3 LYS 53 + HE3 LYS 53 OK 86 99 90 96 2.1-3.7 3.9=36, 2433/3.0=25...(40) HG3 LYS 53 + HE2 LYS 53 OK 85 99 90 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE2 LYS 53 OK 77 100 80 96 2.3-4.2 3.9=36, 2433/3.0=25...(40) HG2 LYS 53 + HE3 LYS 53 OK 57 100 60 96 2.1-4.2 3.9=36, 2433/3.0=25...(40) HD2 LYS 82 + HE3 LYS 82 OK 48 55 100 89 2.6-3.0 3.0=81, 3.5/3668=20...(4) HG3 ARG 91 - HE2 LYS 90 poor 19 77 25 - 2.9-10.7 HB3 LEU 64 - HE3 LYS 82 far 2 34 5 - 3.3-6.4 HG LEU 64 - HE3 LYS 82 far 0 44 0 - 4.6-8.6 HB2 ARG 91 - HE2 LYS 90 far 0 58 0 - 4.7-9.6 HG2 LYS 20 - HE2 LYS 90 far 0 78 0 - 6.1-12.5 HG12 ILE 7 - HE2 LYS 90 far 0 46 0 - 7.0-13.1 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.7-9.5 QB ALA 22 - HE2 LYS 90 far 0 62 0 - 8.4-11.2 HG3 LYS 13 - HE2 LYS 90 far 0 41 0 - 8.8-14.4 HG LEU 29 - HE2 LYS 90 far 0 62 0 - 9.6-14.8 HG2 LYS 13 - HE2 LYS 90 far 0 55 0 - 9.7-13.8 HG2 LYS 66 - HE3 LYS 82 far 0 33 0 - 9.8-14.9 HG12 ILE 7 - HE3 LYS 82 far 0 30 0 - 10.0-11.9 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 2.2-2.9 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 2.4-3.0 3.0=100 HG3 LYS 90 + HE2 LYS 90 OK 46 50 100 92 2.1-3.7 3.8=61, ~4005=37...(21) HG3 ARG 79 - HE3 LYS 53 far 5 95 5 - 4.1-10.7 HG3 ARG 79 - HE2 LYS 53 far 0 94 0 - 4.2-10.1 HG2 ARG 79 - HE2 LYS 53 far 0 94 0 - 4.7-10.6 HG LEU 103 - HE2 LYS 53 far 0 77 0 - 4.8-12.4 HG2 ARG 79 - HE3 LYS 53 far 0 94 0 - 4.9-10.2 HG LEU 103 - HE3 LYS 53 far 0 77 0 - 5.4-11.4 HB2 LEU 14 - HE2 LYS 90 far 0 53 0 - 5.6-11.2 HB2 LEU 3 - HE3 LYS 53 far 0 100 0 - 5.7-9.4 HB2 LEU 103 - HE2 LYS 53 far 0 71 0 - 6.1-12.6 HB2 LEU 3 - HE2 LYS 53 far 0 100 0 - 6.1-9.6 HB2 LEU 103 - HE3 LYS 53 far 0 71 0 - 7.0-11.7 HB3 LEU 103 - HE2 LYS 53 far 0 78 0 - 7.2-12.9 HB ILE 7 - HE2 LYS 90 far 0 53 0 - 7.3-13.3 HG LEU 2 - HE2 LYS 53 far 0 63 0 - 7.9-11.5 HG LEU 2 - HE3 LYS 53 far 0 63 0 - 7.9-11.9 HB3 LEU 103 - HE3 LYS 53 far 0 79 0 - 7.9-12.0 HG2 LYS 24 - HE2 LYS 90 far 0 47 0 - 8.7-11.3 HG2 ARG 19 - HE2 LYS 90 far 0 49 0 - 9.4-14.5 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): 2 out of 9 assignments used, quality = 0.66: H LYS 53 + HE2 LYS 53 OK 57 88 65 100 5.2-7.0 2447/3.0=46, ~2389=42...(20) H LYS 53 + HE3 LYS 53 OK 22 88 25 100 5.5-6.8 2447/3.0=46, ~2389=42...(19) ! H VAL 54 - HE3 LYS 53 far 15 100 15 - 4.9-7.8 H VAL 54 - HE2 LYS 53 far 10 100 10 - 5.1-7.9 H ARG 79 - HE2 LYS 53 far 5 99 5 - 6.0-9.7 H ARG 79 - HE3 LYS 53 far 0 99 0 - 6.2-9.9 H LEU 2 - HE2 LYS 53 far 0 93 0 - 6.3-10.1 H LEU 2 - HE3 LYS 53 far 0 93 0 - 6.4-10.2 H ALA 67 - HE3 LYS 82 far 0 52 0 - 8.1-11.7 Violated in 17 structures by 0.24 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 LYS 53 + HA VAL 54 OK 88 88 100 99 4.6-4.8 3.9/10651=50, ~6886=46...(16) H ARG 79 + HA VAL 54 OK 85 99 100 85 4.6-5.3 2487/3.0=38...(9) H LEU 29 - HA VAL 54 far 0 59 0 - 8.8-9.5 H LEU 2 - HA VAL 54 far 0 93 0 - 8.8-10.5 H ILE 7 - HA VAL 54 far 0 73 0 - 8.8-9.5 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 3.0-3.0 3.0=100 HB VAL 5 - HA VAL 54 far 0 87 0 - 5.9-6.4 HG LEU 42 - HA VAL 54 far 0 99 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 2484 from cnoeabs.peaks (0.65, 5.16, 60.16 ppm; 3.86 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 54 + HA VAL 54 OK 100 100 100 100 2.3-2.7 3.2=100 QD2 LEU 6 - HA VAL 54 far 11 73 15 - 4.5-7.3 QD1 ILE 52 - HA VAL 54 far 0 57 0 - 5.2-6.8 QD1 LEU 29 - HA VAL 54 far 0 100 0 - 7.3-8.2 QD1 LEU 42 - HA VAL 54 far 0 70 0 - 7.6-8.9 QD2 LEU 29 - HA VAL 54 far 0 98 0 - 8.4-9.3 QD1 ILE 7 - HA VAL 54 far 0 70 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2485 from cnoeabs.peaks (0.76, 5.16, 60.16 ppm; 3.49 A): 2 out of 15 assignments used, quality = 1.00: * QG1 VAL 54 + HA VAL 54 OK 100 100 100 100 2.2-2.4 3.2=100 QG1 VAL 78 + HA VAL 54 OK 23 96 25 97 3.9-5.9 2501/3.0=28, ~10349=24...(25) QG1 VAL 5 - HA VAL 54 far 0 68 0 - 4.7-5.6 QD1 LEU 6 - HA VAL 54 far 0 99 0 - 4.7-5.9 QG2 ILE 52 - HA VAL 54 far 0 95 0 - 4.8-6.8 QD2 LEU 42 - HA VAL 54 far 0 100 0 - 5.3-6.7 QD1 LEU 27 - HA VAL 54 far 0 100 0 - 5.6-6.8 QD2 LEU 27 - HA VAL 54 far 0 73 0 - 6.2-7.5 QD2 LEU 57 - HA VAL 54 far 0 70 0 - 6.2-7.1 QG2 ILE 93 - HA VAL 54 far 0 99 0 - 7.1-8.0 QD1 ILE 93 - HA VAL 54 far 0 99 0 - 7.4-9.3 QD1 ILE 76 - HA VAL 54 far 0 59 0 - 7.6-8.8 HG13 ILE 93 - HA VAL 54 far 0 94 0 - 8.4-11.2 HG3 ARG 81 - HA VAL 54 far 0 90 0 - 8.9-12.1 QG2 ILE 7 - HA VAL 54 far 0 63 0 - 9.6-10.3 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, 6904/3.2=42...(15) 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 4 assignments used, quality = 1.00: * H VAL 54 + HB VAL 54 OK 100 100 100 100 2.6-3.0 6896=100, 6897/2.1=75...(14) H ARG 79 + HB VAL 54 OK 88 99 95 93 3.7-4.7 7284/10348=57...(10) H LYS 53 - HB VAL 54 far 0 88 0 - 5.8-6.4 H ILE 7 - HB VAL 54 far 0 73 0 - 8.7-10.0 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 3.0-3.0 3.0=100 HA VAL 78 + HB VAL 54 OK 71 71 100 99 2.6-3.7 10348=63, 3.0/11104=53...(19) HA LEU 3 - HB VAL 54 far 0 75 0 - 6.5-7.6 HA TYR 4 - HB VAL 54 far 0 96 0 - 6.7-7.2 HA ILE 7 - HB VAL 54 far 0 81 0 - 9.2-10.5 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 QD2 LEU 6 - HB VAL 54 far 0 73 0 - 5.0-7.2 QD1 LEU 42 - HB VAL 54 far 0 70 0 - 5.1-6.6 QD1 ILE 52 - HB VAL 54 far 0 57 0 - 5.4-7.0 QD1 LEU 29 - HB VAL 54 far 0 100 0 - 8.8-10.0 QD2 LEU 29 - HB VAL 54 far 0 98 0 - 9.3-10.8 QG2 VAL 58 - HB VAL 54 far 0 91 0 - 9.8-11.1 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 15 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 1.9-3.6 2501=44, 3.2/10348=35...(17) QD2 LEU 42 + HB VAL 54 OK 21 100 70 30 3.0-4.4 1947=14, 2497/2.1=7...(7) QD1 LEU 6 - HB VAL 54 poor 15 99 25 60 3.5-5.0 ~10209=15, ~10207=14...(13) QG2 ILE 52 - HB VAL 54 far 0 95 0 - 4.4-6.4 QD1 ILE 76 - HB VAL 54 far 0 59 0 - 5.4-6.6 QG1 VAL 5 - HB VAL 54 far 0 68 0 - 6.2-7.0 QD2 LEU 57 - HB VAL 54 far 0 70 0 - 6.7-7.8 QD1 LEU 27 - HB VAL 54 far 0 100 0 - 8.1-9.3 QD2 LEU 27 - HB VAL 54 far 0 73 0 - 8.7-9.9 QD1 LEU 64 - HB VAL 54 far 0 92 0 - 9.0-10.1 QD1 ILE 93 - HB VAL 54 far 0 99 0 - 9.0-10.9 QG2 ILE 93 - HB VAL 54 far 0 99 0 - 9.3-10.3 HG3 ARG 81 - HB VAL 54 far 0 90 0 - 9.5-12.1 QG2 ILE 7 - HB VAL 54 far 0 63 0 - 9.8-10.8 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 3.6-4.4 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): 2 out of 7 assignments used, quality = 1.00: * H VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.1-3.1 6897=100, 6896/2.1=73...(16) H LYS 53 + QG2 VAL 54 OK 83 88 100 94 3.4-4.2 3.0/9200=45, 4.7/6897=34...(17) H ARG 79 - QG2 VAL 54 far 5 99 5 - 4.4-5.7 H LEU 2 - QG2 VAL 54 far 0 93 0 - 7.2-8.9 H ILE 7 - QG2 VAL 54 far 0 73 0 - 8.0-9.0 H LEU 29 - QG2 VAL 54 far 0 59 0 - 8.1-9.4 H THR 31 - QG2 VAL 54 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (5.16, 0.65, 22.12 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.3-2.7 3.2=100 HA VAL 78 + QG2 VAL 54 OK 62 71 90 96 3.0-4.5 10348/2.1=38...(19) HA LEU 3 - QG2 VAL 54 poor 15 75 35 56 3.8-5.2 3.6/9227=32, 8064/2493=9...(10) HA TYR 4 - QG2 VAL 54 far 0 96 0 - 4.4-5.3 HA ILE 7 - QG2 VAL 54 far 0 81 0 - 9.0-9.9 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 0 99 0 - 4.2-5.5 HB VAL 5 - QG2 VAL 54 far 0 87 0 - 6.5-7.5 HB3 LYS 47 - QG2 VAL 54 far 0 59 0 - 7.6-9.5 HB2 GLU 43 - QG2 VAL 54 far 0 91 0 - 8.2-9.7 HB3 LYS 39 - QG2 VAL 54 far 0 88 0 - 9.2-10.5 HB3 LYS 68 - QG2 VAL 54 far 0 97 0 - 9.9-12.1 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): 4 out of 16 assignments used, quality = 1.00: * QG1 VAL 54 + QG2 VAL 54 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 78 + QG2 VAL 54 OK 66 96 75 91 2.6-3.9 2502=33, 10906/11070=25...(22) QG2 ILE 52 + QG2 VAL 54 OK 56 95 80 74 2.5-4.4 3.2/10208=22...(16) QD2 LEU 42 + QG2 VAL 54 OK 28 100 60 47 2.4-3.9 10600/9222=21...(9) QD1 LEU 6 - QG2 VAL 54 poor 18 99 25 72 3.3-4.4 8212/9223=17...(18) QD1 ILE 76 - QG2 VAL 54 far 0 59 0 - 4.2-5.3 QG1 VAL 5 - QG2 VAL 54 far 0 68 0 - 5.6-6.5 QD2 LEU 27 - QG2 VAL 54 far 0 73 0 - 6.4-7.6 QD1 LEU 27 - QG2 VAL 54 far 0 100 0 - 6.5-7.5 QD2 LEU 57 - QG2 VAL 54 far 0 70 0 - 6.8-7.5 QG2 ILE 93 - QG2 VAL 54 far 0 99 0 - 7.9-8.9 QD1 ILE 93 - QG2 VAL 54 far 0 99 0 - 8.4-9.6 QG2 ILE 7 - QG2 VAL 54 far 0 63 0 - 8.8-9.6 HG13 ILE 93 - QG2 VAL 54 far 0 94 0 - 9.0-12.0 QD1 LEU 64 - QG2 VAL 54 far 0 92 0 - 9.1-10.1 HG3 ARG 81 - QG2 VAL 54 far 0 90 0 - 9.5-11.9 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 3.9-4.3 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 3.8-4.0 4.0=99 H VAL 54 + QG1 VAL 78 OK 81 83 100 97 3.1-4.4 11101/3.2=62, 6898=36...(15) H ARG 79 + QG1 VAL 78 OK 81 81 100 100 2.1-4.3 4.3=84, 7285/2.1=77...(21) H ARG 79 + QG1 VAL 54 OK 64 99 85 76 3.7-5.1 2487/2.1=36...(8) H LYS 53 - QG1 VAL 54 far 0 88 0 - 5.4-6.1 H LYS 53 - QG1 VAL 78 far 0 68 0 - 5.5-7.1 H ILE 7 - QG1 VAL 54 far 0 73 0 - 5.6-6.5 H LEU 29 - QG1 VAL 54 far 0 59 0 - 7.1-8.0 H ALA 67 - QG1 VAL 78 far 0 80 0 - 7.2-8.7 H THR 31 - QG1 VAL 54 far 0 100 0 - 7.6-8.3 H VAL 32 - QG1 VAL 54 far 0 99 0 - 7.9-8.8 H ILE 7 - QG1 VAL 78 far 0 54 0 - 7.9-10.6 H ALA 67 - QG1 VAL 54 far 0 99 0 - 9.0-9.9 H LEU 2 - QG1 VAL 54 far 0 93 0 - 9.3-10.5 H VAL 32 - QG1 VAL 78 far 0 80 0 - 9.5-12.2 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 2.2-2.4 3.2=100 HA VAL 78 + QG1 VAL 78 OK 53 53 100 100 2.1-3.1 3.2=100 HA VAL 78 + QG1 VAL 54 OK 24 71 35 95 3.9-4.9 10348/2.1=37...(20) HA TYR 4 + QG1 VAL 54 OK 23 96 25 97 3.9-4.9 3.0/8133=33, 3.0/9246=28...(20) HA VAL 54 + QG1 VAL 78 OK 20 83 25 96 3.9-5.9 3.0/2501=26, ~10349=22...(25) HA LEU 3 - QG1 VAL 54 far 0 75 0 - 5.3-6.5 HA ILE 7 - QG1 VAL 54 far 0 81 0 - 6.4-7.3 HA TYR 4 - QG1 VAL 78 far 0 76 0 - 7.3-9.3 HA LEU 3 - QG1 VAL 78 far 0 56 0 - 7.4-8.8 HA ILE 7 - QG1 VAL 78 far 0 60 0 - 7.7-10.8 Violated in 0 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (1.89, 0.76, 21.39 ppm; 2.92 A): 2 out of 18 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 1.9-3.6 2491=37, 10348/3.2=33...(17) HG LEU 42 - QG1 VAL 78 far 4 80 5 - 3.7-5.2 HG LEU 42 - QG1 VAL 54 far 0 99 0 - 3.9-5.2 HB VAL 5 - QG1 VAL 54 far 0 87 0 - 4.6-5.6 HB3 LYS 68 - QG1 VAL 78 far 0 77 0 - 5.8-7.9 HB VAL 5 - QG1 VAL 78 far 0 66 0 - 7.6-10.4 HB3 LYS 39 - QG1 VAL 78 far 0 68 0 - 8.4-10.2 HB ILE 8 - QG1 VAL 54 far 0 99 0 - 8.6-9.7 HB3 LYS 68 - QG1 VAL 54 far 0 97 0 - 8.7-10.9 HB ILE 8 - QG1 VAL 78 far 0 80 0 - 8.7-11.7 HB2 GLU 43 - QG1 VAL 78 far 0 70 0 - 9.0-11.6 HB3 LYS 39 - QG1 VAL 54 far 0 88 0 - 9.1-10.4 HB2 GLU 43 - QG1 VAL 54 far 0 91 0 - 9.2-10.7 HB3 LYS 66 - QG1 VAL 78 far 0 66 0 - 9.2-10.5 HB3 LYS 47 - QG1 VAL 54 far 0 59 0 - 9.5-11.4 HB3 GLU 104 - QG1 VAL 78 far 0 76 0 - 9.7-17.7 HB2 ARG 19 - QG1 VAL 54 far 0 100 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (0.65, 0.76, 21.39 ppm; 2.76 A): 2 out of 16 assignments used, quality = 1.00: * QG2 VAL 54 + QG1 VAL 54 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 54 + QG1 VAL 78 OK 65 83 85 92 2.6-3.9 2497=24, 2.1/2501=24...(23) QD2 LEU 6 - QG1 VAL 54 poor 18 73 25 - 2.5-4.5 QD1 LEU 42 - QG1 VAL 78 poor 10 51 40 51 3.1-4.9 3.1/10653=31...(7) QD1 LEU 42 - QG1 VAL 54 far 0 70 0 - 4.6-5.7 QD1 ILE 52 - QG1 VAL 54 far 0 57 0 - 4.9-5.8 QD1 ILE 52 - QG1 VAL 78 far 0 41 0 - 5.2-7.0 QD2 LEU 6 - QG1 VAL 78 far 0 54 0 - 5.7-7.4 QD1 LEU 29 - QG1 VAL 54 far 0 100 0 - 5.8-6.8 QD2 LEU 29 - QG1 VAL 54 far 0 98 0 - 6.1-7.4 QG2 VAL 58 - QG1 VAL 78 far 0 70 0 - 7.2-9.6 QD1 ILE 7 - QG1 VAL 54 far 0 70 0 - 7.4-8.5 QG2 VAL 58 - QG1 VAL 54 far 0 91 0 - 8.0-9.0 QD1 LEU 29 - QG1 VAL 78 far 0 83 0 - 8.3-10.8 QD2 LEU 29 - QG1 VAL 78 far 0 79 0 - 8.8-11.4 QD1 ILE 7 - QG1 VAL 78 far 0 51 0 - 9.2-11.6 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 1.9-3.0 4.1=78, 6902/3.2=69...(20) H LEU 55 - QG1 VAL 78 poor 16 83 25 78 3.7-6.7 6904/2502=21...(14) 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): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + HA LEU 55 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 81 - HA LEU 55 far 8 77 10 - 5.3-7.7 QG1 VAL 83 - HA LEU 55 far 0 95 0 - 7.5-8.6 HG12 ILE 52 - HA LEU 55 far 0 97 0 - 8.8-12.5 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (0.96, 4.67, 52.29 ppm; 6.50 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 55 + HA LEU 55 OK 100 100 100 100 2.8-3.5 3.7=100 QG2 THR 80 + HA LEU 55 OK 96 96 100 100 5.3-6.2 3.2/9713=93...(11) QG2 VAL 5 + HA LEU 55 OK 94 94 100 100 4.1-5.4 8198/3.0=90...(21) HB2 ARG 81 - HA LEU 55 poor 16 73 40 55 6.0-8.0 3587/2538=30...(4) QG2 VAL 83 - HA LEU 55 far 0 100 0 - 8.7-9.5 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 24 99 40 60 4.3-8.2 10924/9713=24...(13) QD1 LEU 3 - HA LEU 55 far 0 82 0 - 7.7-9.1 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 3.8-4.0 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 2.1-2.2 6915=100, 6919/2538=45...(19) 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 2.7-3.4 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 LYS 82 - HB2 LEU 55 far 0 75 0 - 9.1-11.3 HA LEU 27 - HB2 LEU 55 far 0 94 0 - 9.1-11.3 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 0 77 0 - 5.6-8.7 QG1 VAL 83 - HB2 LEU 55 far 0 95 0 - 6.8-8.4 HG12 ILE 52 - HB2 LEU 55 far 0 97 0 - 9.0-12.1 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 2.0-4.4 8198=76, 8197/3.1=57...(25) HB2 ARG 81 - HB2 LEU 55 far 0 73 0 - 6.9-8.4 QG2 THR 80 - HB2 LEU 55 far 0 96 0 - 7.0-8.0 QG2 VAL 83 - HB2 LEU 55 far 0 100 0 - 7.6-9.6 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 2.1-3.2 3.1=100 HG2 ARG 81 - HB2 LEU 55 poor 20 99 20 - 4.5-7.8 QD1 LEU 3 - HB2 LEU 55 far 0 82 0 - 6.0-7.9 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 2.2-2.9 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 4.0-4.5 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 2.2-2.7 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 3 assignments used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 27 - HB3 LEU 55 far 0 94 0 - 8.5-10.4 HA LYS 82 - HB3 LEU 55 far 0 75 0 - 9.8-11.2 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 2.4-3.0 3.0=100 QG2 VAL 5 + HB3 LEU 55 OK 94 94 100 100 1.9-3.0 8198/1.8=60, 8197/3.1=55...(26) HB2 ARG 81 - HB3 LEU 55 far 0 73 0 - 6.6-8.9 QG2 THR 80 - HB3 LEU 55 far 0 96 0 - 7.4-7.9 QG2 VAL 83 - HB3 LEU 55 far 0 100 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 2526 from cnoeabs.peaks (0.44, 1.03, 42.07 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.2-3.2 3.1=100 HG2 ARG 81 - HB3 LEU 55 far 0 99 0 - 5.5-8.7 QD1 LEU 3 - HB3 LEU 55 far 0 82 0 - 6.0-7.5 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 2.0-2.5 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 2.8-3.5 3.7=100 HA LYS 82 - HG LEU 55 far 0 75 0 - 6.9-8.7 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 4 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 81 + HG LEU 55 OK 42 77 60 92 3.2-6.1 2540/2.1=30, 2548/2.1=22...(19) QG1 VAL 83 - HG LEU 55 far 0 95 0 - 5.2-6.4 HG2 LYS 82 - HG LEU 55 far 0 68 0 - 9.8-11.1 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 23 99 25 91 3.7-7.1 ~3614=24, ~9253=23...(22) QD1 LEU 3 - HG LEU 55 far 0 82 0 - 7.9-9.5 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 2.7-4.1 2544/2.1=100...(15) 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 4.1-4.6 6910=99, 2.9/2538=88...(18) H ALA 18 - QD1 LEU 55 far 0 93 0 - 9.6-11.2 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, 6915/6919=50...(22) HA LYS 82 - QD1 LEU 55 far 0 75 0 - 5.7-7.8 HA LEU 27 - QD1 LEU 55 far 0 94 0 - 9.7-11.4 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 2.1-3.2 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 2.2-3.2 3.1=100 HB3 ARG 81 + QD1 LEU 55 OK 65 77 90 93 2.1-5.1 4.0/9280=29, 2.9/3614=26...(18) QG1 VAL 83 - QD1 LEU 55 far 0 95 0 - 4.6-5.9 HG2 LYS 82 - QD1 LEU 55 far 0 68 0 - 7.9-10.1 HG12 ILE 52 - QD1 LEU 55 far 0 97 0 - 9.3-12.1 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 HB2 ARG 81 + QD1 LEU 55 OK 41 73 65 87 3.5-4.7 1.8/2540=24, 4.0/9280=23...(16) QG2 VAL 5 + QD1 LEU 55 OK 23 94 25 99 3.9-5.2 8197=52, 2549/2.1=30...(26) QG2 THR 80 - QD1 LEU 55 far 0 96 0 - 4.4-5.8 QG2 VAL 83 - QD1 LEU 55 far 0 100 0 - 5.4-7.1 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 1.9-2.1 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 2.2-3.5 6919=100, 6915/2538=52...(21) H THR 84 - QD1 LEU 55 far 0 98 0 - 9.2-11.0 Violated in 5 structures by 0.01 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 3.9-4.4 4.8=100 H ALA 18 - QD2 LEU 55 far 0 93 0 - 7.6-9.7 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 3.8-4.0 4.0=100 HA LYS 82 - QD2 LEU 55 far 0 75 0 - 6.9-8.4 HA LEU 27 - QD2 LEU 55 far 0 94 0 - 7.9-9.6 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 2.2-2.9 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 2.0-2.5 3.1=100 HB3 ARG 81 + QD2 LEU 55 OK 41 77 60 88 3.3-6.0 2540/2.1=27, 2532/2.1=18...(17) QG1 VAL 83 - QD2 LEU 55 far 5 95 5 - 4.2-5.4 HG2 LYS 82 - QD2 LEU 55 far 0 68 0 - 9.4-10.6 HG12 ILE 52 - QD2 LEU 55 far 0 97 0 - 9.5-12.3 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 1.9-3.7 2.1/8195=52, 8197/2.1=46...(28) HB2 ARG 81 - QD2 LEU 55 far 0 73 0 - 4.4-6.2 QG2 VAL 83 - QD2 LEU 55 far 0 100 0 - 5.4-6.4 QG2 THR 80 - QD2 LEU 55 far 0 96 0 - 6.3-7.0 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 1.9-2.1 2.1=100 HG2 ARG 81 - QD2 LEU 55 far 5 99 5 - 3.8-6.3 QD1 LEU 3 - QD2 LEU 55 far 0 82 0 - 5.5-7.0 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 4.2-5.0 6920=100, 6919/2.1=100...(10) H THR 84 - QD2 LEU 55 far 0 98 0 - 8.9-10.4 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 2.9-3.0 3.0=100 HB VAL 78 - HA ILE 56 far 0 95 0 - 6.0-7.6 HD2 ARG 81 - HA ILE 56 far 0 61 0 - 7.4-10.0 HB3 GLU 63 - HA ILE 56 far 0 96 0 - 8.7-9.6 HB3 LYS 82 - HA ILE 56 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2556 from cnoeabs.peaks (0.60, 4.88, 59.98 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 100 100 2.0-2.4 3.2=100 QD1 ILE 7 - HA ILE 56 far 0 91 0 - 5.8-7.2 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 2.6-3.5 3.9=95, 6924/3.0=51...(16) HG LEU 6 + HA ILE 56 OK 32 100 35 93 3.6-5.6 209/8216=43, 3.0/8223=33...(11) HB ILE 7 - HA ILE 56 far 0 99 0 - 5.3-6.3 HG LEU 57 - HA ILE 56 far 0 77 0 - 5.5-6.1 HG2 ARG 79 - HA ILE 56 far 0 100 0 - 5.9-9.8 HG3 ARG 79 - HA ILE 56 far 0 100 0 - 7.3-9.6 HG3 ARG 30 - HA ILE 56 far 0 100 0 - 9.7-10.8 HB2 LEU 3 - HA ILE 56 far 0 90 0 - 9.8-12.1 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 16 assignments used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.3-3.8 3.9=100 QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 2.1-4.0 4.2=100 QD1 ILE 8 + HA ILE 56 OK 97 100 100 97 3.5-5.5 2594=48, ~8312=44...(12) QG1 VAL 58 + HA ILE 56 OK 96 100 100 96 4.4-5.0 10714/6930=56...(8) QG1 VAL 5 + HA ILE 56 OK 94 98 100 96 3.4-4.3 178/8216=73, 8167/3.0=37...(8) QD2 LEU 6 + HA ILE 56 OK 80 81 100 99 4.7-5.6 4.6/8216=61, 3.1/8223=49...(11) QG2 VAL 78 + HA ILE 56 OK 46 100 70 66 4.5-6.8 ~9300=24, 8167/3.0=23...(5) QG1 VAL 78 - HA ILE 56 poor 19 75 25 - 4.4-7.4 QG2 VAL 58 - HA ILE 56 far 0 59 0 - 5.8-6.8 QD1 LEU 42 - HA ILE 56 far 0 84 0 - 6.4-8.4 QD1 LEU 64 - HA ILE 56 far 0 82 0 - 6.6-7.6 HG13 ILE 93 - HA ILE 56 far 0 79 0 - 7.2-9.8 HG3 ARG 81 - HA ILE 56 far 0 85 0 - 7.5-9.4 QD2 LEU 14 - HA ILE 56 far 0 100 0 - 7.5-8.5 QG2 ILE 93 - HA ILE 56 far 0 65 0 - 7.5-9.1 QD1 LEU 14 - HA ILE 56 far 0 63 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2559 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.36 A): 7 out of 15 assignments used, quality = 1.00: * QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 2.1-4.0 4.2=100 HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.3-3.8 3.9=100 QG1 VAL 58 + HA ILE 56 OK 89 98 100 91 4.4-5.0 10714/6930=43...(8) QG1 VAL 5 + HA ILE 56 OK 84 93 100 90 3.4-4.3 178/8216=57, 173/6930=28...(8) QD1 ILE 8 + HA ILE 56 OK 80 100 85 94 3.5-5.5 8313/3.2=39, 2594=37...(12) QD2 LEU 6 + HA ILE 56 OK 53 91 60 97 4.7-5.6 4.6/8216=50, 3.1/8223=41...(11) QG2 VAL 78 + HA ILE 56 OK 36 97 65 57 4.5-6.8 ~9300=19, 6925/3.0=18...(5) QG1 VAL 78 - HA ILE 56 poor 15 61 25 - 4.4-7.4 QG2 VAL 58 - HA ILE 56 far 0 73 0 - 5.8-6.8 QD1 LEU 42 - HA ILE 56 far 0 93 0 - 6.4-8.4 QD1 LEU 64 - HA ILE 56 far 0 70 0 - 6.6-7.6 HG13 ILE 93 - HA ILE 56 far 0 65 0 - 7.2-9.8 HG3 ARG 81 - HA ILE 56 far 0 73 0 - 7.5-9.4 QD2 LEU 14 - HA ILE 56 far 0 100 0 - 7.5-8.5 QD1 LEU 14 - HA ILE 56 far 0 77 0 - 9.2-10.6 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, 6932/3.2=49...(14) H VAL 5 - HA ILE 56 far 0 99 0 - 6.5-7.4 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 2.5-3.0 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 2.9-3.0 3.0=100 HA THR 31 - HB ILE 56 far 0 99 0 - 9.4-10.5 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 - 7.6-8.9 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 7 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 79 - HB ILE 56 far 0 100 0 - 5.4-9.0 HG LEU 6 - HB ILE 56 far 0 100 0 - 5.5-8.2 HG3 ARG 79 - HB ILE 56 far 0 100 0 - 6.8-9.1 HG LEU 57 - HB ILE 56 far 0 77 0 - 7.2-7.6 HB ILE 7 - HB ILE 56 far 0 99 0 - 7.8-8.9 HD3 LYS 82 - HB ILE 56 far 0 68 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 2566 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.08 A): 5 out of 15 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 2.4-3.0 2.9=100 QD1 ILE 56 + HB ILE 56 OK 97 100 100 98 2.1-3.2 3.2=86, 2596/2.1=36...(12) QG1 VAL 58 + HB ILE 56 OK 54 100 65 83 3.6-4.3 10223/9729=35, 10225=28...(11) QG2 VAL 78 + HB ILE 56 OK 41 100 60 69 3.3-6.6 10194/9329=17...(16) QD1 ILE 8 + HB ILE 56 OK 20 100 25 81 3.8-5.4 8313/2.1=31, ~8312=20...(11) QG1 VAL 78 - HB ILE 56 far 11 75 15 - 3.4-6.5 QD1 LEU 64 - HB ILE 56 far 0 82 0 - 4.3-5.4 QG2 VAL 58 - HB ILE 56 far 0 59 0 - 4.3-5.8 QG1 VAL 5 - HB ILE 56 far 0 98 0 - 5.9-6.6 QD1 LEU 42 - HB ILE 56 far 0 84 0 - 6.1-7.6 QD2 LEU 6 - HB ILE 56 far 0 81 0 - 6.2-7.7 HG3 ARG 81 - HB ILE 56 far 0 85 0 - 6.6-8.4 QD2 LEU 14 - HB ILE 56 far 0 100 0 - 8.8-9.7 HG13 ILE 93 - HB ILE 56 far 0 79 0 - 9.4-12.0 QG2 ILE 93 - HB ILE 56 far 0 65 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2567 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.24 A): 5 out of 14 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 100 100 100 100 2.1-3.2 3.2=100 HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 2.4-3.0 2.9=100 QG1 VAL 58 + HB ILE 56 OK 68 98 80 87 3.6-4.3 10223/9729=38, 10225=32...(11) QG2 VAL 78 + HB ILE 56 OK 42 97 60 72 3.3-6.6 10194/9329=17...(17) QD1 ILE 8 + HB ILE 56 OK 38 100 45 85 3.8-5.4 8313/2.1=33, ~8312=23...(11) QG1 VAL 78 - HB ILE 56 poor 12 61 20 - 3.4-6.5 QD1 LEU 64 - HB ILE 56 far 0 70 0 - 4.3-5.4 QG2 VAL 58 - HB ILE 56 far 0 73 0 - 4.3-5.8 QG1 VAL 5 - HB ILE 56 far 0 93 0 - 5.9-6.6 QD1 LEU 42 - HB ILE 56 far 0 93 0 - 6.1-7.6 QD2 LEU 6 - HB ILE 56 far 0 91 0 - 6.2-7.7 HG3 ARG 81 - HB ILE 56 far 0 73 0 - 6.6-8.4 QD2 LEU 14 - HB ILE 56 far 0 100 0 - 8.8-9.7 HG13 ILE 93 - HB ILE 56 far 0 65 0 - 9.4-12.0 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 - 9.0-10.0 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 2 assignments used, quality = 1.00: * H ILE 56 + QG2 ILE 56 OK 100 100 100 100 3.8-3.9 4.0=100 H GLU 35 - QG2 ILE 56 far 0 97 0 - 7.9-9.1 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 2.0-2.4 3.2=100 HA THR 31 - QG2 ILE 56 far 0 99 0 - 5.9-7.2 HA ARG 30 - QG2 ILE 56 far 0 75 0 - 8.2-9.4 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 8 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 78 - QG2 ILE 56 far 0 95 0 - 5.0-6.9 HB3 GLU 63 - QG2 ILE 56 far 0 96 0 - 5.1-6.5 HB2 LYS 66 - QG2 ILE 56 far 0 100 0 - 6.5-7.6 HD2 ARG 81 - QG2 ILE 56 far 0 61 0 - 7.1-8.9 HB3 LYS 82 - QG2 ILE 56 far 0 100 0 - 7.3-8.9 HB2 LYS 39 - QG2 ILE 56 far 0 68 0 - 7.4-9.3 HG3 ARG 19 - QG2 ILE 56 far 0 100 0 - 9.8-13.3 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): 1 out of 13 assignments used, quality = 1.00: * HG12 ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 6 - QG2 ILE 56 far 10 100 10 - 4.0-5.9 HB ILE 7 - QG2 ILE 56 far 0 99 0 - 5.2-6.7 HG LEU 57 - QG2 ILE 56 far 0 77 0 - 5.9-6.8 HG2 ARG 79 - QG2 ILE 56 far 0 100 0 - 6.3-9.4 HG3 ARG 79 - QG2 ILE 56 far 0 100 0 - 7.5-9.1 HD3 LYS 82 - QG2 ILE 56 far 0 68 0 - 7.5-10.0 HG2 LYS 66 - QG2 ILE 56 far 0 57 0 - 7.6-8.9 HG3 LYS 66 - QG2 ILE 56 far 0 61 0 - 7.8-8.8 HG3 ARG 30 - QG2 ILE 56 far 0 100 0 - 8.3-10.1 HG3 LYS 33 - QG2 ILE 56 far 0 82 0 - 8.5-9.9 HG2 LYS 33 - QG2 ILE 56 far 0 95 0 - 9.2-10.2 HB2 LEU 14 - QG2 ILE 56 far 0 99 0 - 9.6-12.4 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 17 assignments used, quality = 1.00: * HG13 ILE 56 + QG2 ILE 56 OK 86 100 100 86 2.2-3.2 3.2=49, 2.1/2596=25...(13) QD1 ILE 56 + QG2 ILE 56 OK 83 100 100 83 1.9-3.1 3.0=56, 10682/9734=15...(16) QG1 VAL 58 + QG2 ILE 56 OK 75 100 100 75 2.0-3.0 10223/9734=22...(18) QD1 ILE 8 + QG2 ILE 56 OK 71 100 100 71 1.8-3.0 8313=30, 2.1/8312=15...(14) QG2 VAL 58 - QG2 ILE 56 far 0 59 0 - 3.4-4.7 QD2 LEU 6 - QG2 ILE 56 far 0 81 0 - 3.6-5.2 QG1 VAL 78 - QG2 ILE 56 far 0 75 0 - 3.7-6.4 QD1 LEU 42 - QG2 ILE 56 far 0 84 0 - 4.0-6.0 QG2 VAL 78 - QG2 ILE 56 far 0 100 0 - 4.1-5.8 QD1 LEU 64 - QG2 ILE 56 far 0 82 0 - 4.4-5.4 QG1 VAL 5 - QG2 ILE 56 far 0 98 0 - 4.7-5.4 QD2 LEU 14 - QG2 ILE 56 far 0 100 0 - 6.1-7.9 HG3 ARG 81 - QG2 ILE 56 far 0 85 0 - 7.0-8.6 QD1 LEU 14 - QG2 ILE 56 far 0 63 0 - 7.6-9.7 HG13 ILE 93 - QG2 ILE 56 far 0 79 0 - 7.9-10.2 QG2 ILE 93 - QG2 ILE 56 far 0 65 0 - 8.2-9.5 QD1 ILE 52 - QG2 ILE 56 far 0 92 0 - 9.1-10.6 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 16 assignments used, quality = 1.00: HG13 ILE 56 + QG2 ILE 56 OK 86 100 100 87 2.2-3.2 3.2=50, 2.1/2596=25...(13) * QD1 ILE 56 + QG2 ILE 56 OK 85 100 100 85 1.9-3.1 3.0=58, 10682/9734=15...(16) QG1 VAL 58 + QG2 ILE 56 OK 74 98 100 76 2.0-3.0 10223/9734=22...(18) QD1 ILE 8 + QG2 ILE 56 OK 73 100 100 73 1.8-3.0 8313=31, 2.1/8312=16...(14) QG2 VAL 58 - QG2 ILE 56 far 4 73 5 - 3.4-4.7 QD2 LEU 6 - QG2 ILE 56 far 0 91 0 - 3.6-5.2 QG1 VAL 78 - QG2 ILE 56 far 0 61 0 - 3.7-6.4 QD1 LEU 42 - QG2 ILE 56 far 0 93 0 - 4.0-6.0 QG2 VAL 78 - QG2 ILE 56 far 0 97 0 - 4.1-5.8 QD1 LEU 64 - QG2 ILE 56 far 0 70 0 - 4.4-5.4 QG1 VAL 5 - QG2 ILE 56 far 0 93 0 - 4.7-5.4 QD2 LEU 14 - QG2 ILE 56 far 0 100 0 - 6.1-7.9 HG3 ARG 81 - QG2 ILE 56 far 0 73 0 - 7.0-8.6 QD1 LEU 14 - QG2 ILE 56 far 0 77 0 - 7.6-9.7 HG13 ILE 93 - QG2 ILE 56 far 0 65 0 - 7.9-10.2 QD1 ILE 52 - QG2 ILE 56 far 0 98 0 - 9.1-10.6 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 2 assignments used, quality = 1.00: * H LEU 57 + QG2 ILE 56 OK 100 100 100 100 2.2-3.4 6932=100, 6930/3.2=63...(25) H VAL 5 - QG2 ILE 56 far 0 99 0 - 7.3-8.1 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 1.9-4.3 6922/2.9=85, 4.9=83...(21) 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 2.6-3.5 3.9=100 HA THR 31 - HG12 ILE 56 far 0 99 0 - 7.9-11.3 HA ARG 30 - HG12 ILE 56 far 0 75 0 - 9.3-13.0 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 2.4-3.0 2.9=100 HB VAL 78 + HG12 ILE 56 OK 67 95 80 88 2.7-5.9 9686=35, 10288/12206=31...(13) HD2 ARG 81 - HG12 ILE 56 far 0 61 0 - 6.5-10.4 HB3 GLU 63 - HG12 ILE 56 far 0 96 0 - 9.0-10.7 HB2 LYS 66 - HG12 ILE 56 far 0 100 0 - 9.0-11.0 HB2 LYS 39 - HG12 ILE 56 far 0 68 0 - 9.1-12.6 HB3 LYS 82 - HG12 ILE 56 far 0 100 0 - 9.8-12.0 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 2.0-3.2 3.2=100 QD1 ILE 7 - HG12 ILE 56 far 0 91 0 - 8.0-9.8 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 16 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 38 100 60 64 2.1-5.0 10194/10680=15, 10196=14...(17) QG1 VAL 78 - HG12 ILE 56 poor 11 75 30 47 1.9-5.7 2.1/9686=13...(11) QD1 ILE 8 - HG12 ILE 56 far 5 100 5 - 3.3-6.6 QD2 LEU 6 - HG12 ILE 56 far 0 81 0 - 4.4-7.9 QD1 LEU 42 - HG12 ILE 56 far 0 84 0 - 4.6-6.9 QG1 VAL 58 - HG12 ILE 56 far 0 100 0 - 4.7-5.9 QG1 VAL 5 - HG12 ILE 56 far 0 98 0 - 5.1-6.4 QD1 LEU 64 - HG12 ILE 56 far 0 82 0 - 5.4-7.8 QG2 VAL 58 - HG12 ILE 56 far 0 59 0 - 6.3-7.8 HG3 ARG 81 - HG12 ILE 56 far 0 85 0 - 6.5-10.7 QD1 ILE 52 - HG12 ILE 56 far 0 92 0 - 8.8-10.4 QG2 ILE 93 - HG12 ILE 56 far 0 65 0 - 9.1-10.4 QD2 LEU 14 - HG12 ILE 56 far 0 100 0 - 9.3-10.8 HG13 ILE 93 - HG12 ILE 56 far 0 79 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (0.71, 1.53, 27.60 ppm; 2.89 A): 3 out of 15 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 38 97 60 65 2.1-5.0 2.1/9686=15...(17) QG1 VAL 78 - HG12 ILE 56 poor 18 61 30 - 1.9-5.7 QD1 ILE 8 - HG12 ILE 56 far 5 100 5 - 3.3-6.6 QD2 LEU 6 - HG12 ILE 56 far 0 91 0 - 4.4-7.9 QD1 LEU 42 - HG12 ILE 56 far 0 93 0 - 4.6-6.9 QG1 VAL 58 - HG12 ILE 56 far 0 98 0 - 4.7-5.9 QG1 VAL 5 - HG12 ILE 56 far 0 93 0 - 5.1-6.4 QD1 LEU 64 - HG12 ILE 56 far 0 70 0 - 5.4-7.8 QG2 VAL 58 - HG12 ILE 56 far 0 73 0 - 6.3-7.8 HG3 ARG 81 - HG12 ILE 56 far 0 73 0 - 6.5-10.7 QD1 ILE 52 - HG12 ILE 56 far 0 98 0 - 8.8-10.4 QD2 LEU 14 - HG12 ILE 56 far 0 100 0 - 9.3-10.8 HG13 ILE 93 - HG12 ILE 56 far 0 65 0 - 9.3-12.3 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 4.5-5.3 6932/3.2=88, 6930/3.9=84...(17) H VAL 5 - HG12 ILE 56 far 0 99 0 - 6.9-9.0 Violated in 12 structures by 0.12 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 2.0-3.9 4.9=95, 6922/2.9=89...(15) 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 2.3-3.8 3.9=100 HA THR 31 - HG13 ILE 56 far 0 99 0 - 7.5-10.2 HA ARG 30 - HG13 ILE 56 far 0 75 0 - 9.2-12.1 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 2.4-3.0 2.9=100 HB VAL 78 + HG13 ILE 56 OK 42 95 50 88 3.5-6.0 9686/1.8=39...(14) HD2 ARG 81 - HG13 ILE 56 far 0 61 0 - 6.9-11.1 HB2 LYS 66 - HG13 ILE 56 far 0 100 0 - 8.5-10.8 HB3 GLU 63 - HG13 ILE 56 far 0 96 0 - 8.6-10.6 HB2 LYS 39 - HG13 ILE 56 far 0 68 0 - 9.0-12.1 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 2.2-3.2 3.2=100 QD1 ILE 7 - HG13 ILE 56 far 0 91 0 - 7.9-9.7 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 26 100 30 88 3.0-7.0 3.0/10676=28...(20) HG2 ARG 79 - HG13 ILE 56 far 0 100 0 - 5.0-10.6 HG3 ARG 79 - HG13 ILE 56 far 0 100 0 - 6.7-10.0 HB ILE 7 - HG13 ILE 56 far 0 99 0 - 7.0-9.4 HG LEU 57 - HG13 ILE 56 far 0 77 0 - 7.9-9.3 HG3 ARG 30 - HG13 ILE 56 far 0 100 0 - 8.9-12.4 HB2 LEU 3 - HG13 ILE 56 far 0 90 0 - 9.8-13.5 HD3 LYS 53 - HG13 ILE 56 far 0 91 0 - 9.9-13.2 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 4.2-5.4 6932/3.2=92, 6930/3.9=88...(15) H VAL 5 - HG13 ILE 56 far 0 99 0 - 6.4-9.4 Violated in 4 structures by 0.02 A. Peak 2593 from cnoeabs.peaks (9.19, 0.71, 13.82 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.4-3.8 6922/3.2=79, 5.0=77...(18) H GLU 35 - QD1 ILE 8 far 14 93 15 - 5.0-7.6 H ILE 56 - QD1 ILE 8 far 0 98 0 - 5.6-7.4 H GLU 35 - QD1 ILE 56 far 0 97 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (4.88, 0.71, 13.82 ppm; 4.77 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.1-4.0 4.2=100 HA ILE 56 + QD1 ILE 8 OK 93 98 100 96 3.5-5.5 ~8312=42, 3.2/2596=41...(13) HA THR 31 - QD1 ILE 8 far 14 96 15 - 5.4-6.6 HA THR 31 - QD1 ILE 56 far 0 99 0 - 6.4-9.9 HA ARG 30 - QD1 ILE 56 far 0 75 0 - 7.6-11.5 HA ARG 30 - QD1 ILE 8 far 0 70 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.76, 0.71, 13.82 ppm; 3.37 A): 4 out of 19 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.1-3.2 3.2=100 HB VAL 78 + QD1 ILE 56 OK 58 95 85 72 2.3-4.4 9686/2.1=23...(14) HB ILE 56 + QD1 ILE 8 OK 54 98 65 86 3.8-5.4 2.1/2596=34, ~8312=25...(11) HB3 GLU 63 + QD1 ILE 8 OK 30 92 35 93 3.3-5.3 10746/3.0=32...(17) HB2 LYS 66 - QD1 ILE 8 far 0 97 0 - 4.9-6.8 HB2 LYS 66 - QD1 ILE 56 far 0 100 0 - 6.3-8.5 HD2 ARG 81 - QD1 ILE 56 far 0 61 0 - 6.8-9.7 HB VAL 78 - QD1 ILE 8 far 0 90 0 - 7.1-9.5 HB2 LYS 39 - QD1 ILE 56 far 0 68 0 - 7.2-8.8 HB3 GLU 63 - QD1 ILE 56 far 0 96 0 - 7.2-8.8 HB2 LYS 39 - QD1 ILE 8 far 0 63 0 - 7.4-8.7 HD2 LYS 33 - QD1 ILE 8 far 0 55 0 - 7.5-10.2 HB3 LYS 82 - QD1 ILE 8 far 0 98 0 - 7.9-8.9 HD3 LYS 33 - QD1 ILE 8 far 0 55 0 - 7.9-10.2 HB3 LYS 82 - QD1 ILE 56 far 0 100 0 - 8.5-10.6 HG3 ARG 46 - QD1 ILE 56 far 0 87 0 - 8.8-12.1 HD2 ARG 81 - QD1 ILE 8 far 0 57 0 - 8.8-11.6 HB ILE 15 - QD1 ILE 8 far 0 65 0 - 9.2-10.5 HB2 GLU 28 - QD1 ILE 56 far 0 91 0 - 9.7-13.3 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 98 100 100 98 1.9-3.1 3.0=90, 9734/10682=21...(17) QG2 ILE 56 + QD1 ILE 8 OK 80 98 100 82 1.8-3.0 8312/2.1=24, 2575=23...(18) QD1 ILE 7 - QD1 ILE 8 far 0 86 0 - 5.7-6.9 QD1 ILE 7 - QD1 ILE 56 far 0 91 0 - 6.8-9.1 Violated in 0 structures by 0.00 A. Peak 2597 from cnoeabs.peaks (1.53, 0.71, 13.82 ppm; 3.19 A): 1 out of 29 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 far 15 100 15 - 2.0-6.8 HG12 ILE 56 - QD1 ILE 8 far 5 98 5 - 3.3-6.6 HG2 ARG 79 - QD1 ILE 56 far 0 100 0 - 4.3-8.6 HG3 LYS 66 - QD1 ILE 8 far 0 57 0 - 5.2-7.8 HB ILE 7 - QD1 ILE 8 far 0 96 0 - 5.3-7.1 HG LEU 6 - QD1 ILE 8 far 0 97 0 - 5.5-6.9 HG2 LYS 66 - QD1 ILE 8 far 0 53 0 - 5.8-8.4 HG3 ARG 79 - QD1 ILE 56 far 0 100 0 - 5.8-8.2 HG3 LYS 33 - QD1 ILE 8 far 0 77 0 - 5.9-8.1 HB ILE 7 - QD1 ILE 56 far 0 99 0 - 6.2-9.2 HG2 LYS 33 - QD1 ILE 8 far 0 90 0 - 6.4-8.6 HG LEU 57 - QD1 ILE 8 far 0 72 0 - 6.5-8.7 HG LEU 57 - QD1 ILE 56 far 0 77 0 - 6.9-8.6 HD3 LYS 82 - QD1 ILE 8 far 0 63 0 - 7.5-9.3 HG3 ARG 30 - QD1 ILE 56 far 0 100 0 - 7.7-11.3 HB2 LEU 3 - QD1 ILE 56 far 0 90 0 - 8.0-11.8 HG2 LYS 66 - QD1 ILE 56 far 0 57 0 - 8.1-10.5 HG3 LYS 66 - QD1 ILE 56 far 0 61 0 - 8.2-10.3 HG2 LYS 73 - QD1 ILE 56 far 0 59 0 - 8.2-12.0 HG2 ARG 79 - QD1 ILE 8 far 0 97 0 - 8.3-12.4 HD3 LYS 53 - QD1 ILE 56 far 0 91 0 - 8.9-11.3 HB2 LEU 14 - QD1 ILE 8 far 0 96 0 - 8.9-11.2 HB3 GLU 28 - QD1 ILE 56 far 0 73 0 - 9.1-12.0 HG3 ARG 30 - QD1 ILE 8 far 0 98 0 - 9.1-10.7 HD3 LYS 82 - QD1 ILE 56 far 0 68 0 - 9.3-11.9 HG3 ARG 79 - QD1 ILE 8 far 0 97 0 - 9.4-12.1 HG3 LYS 33 - QD1 ILE 56 far 0 82 0 - 9.5-12.5 HG2 LYS 33 - QD1 ILE 56 far 0 95 0 - 9.8-12.7 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): 2 out of 5 assignments used, quality = 1.00: * H LEU 57 + QD1 ILE 56 OK 100 100 100 100 3.6-5.6 6932/3.0=91, 6930/4.2=80...(14) H LEU 57 + QD1 ILE 8 OK 95 98 100 97 3.3-5.3 8292/5.0=53...(16) H VAL 5 - QD1 ILE 56 far 5 99 5 - 5.6-8.6 H VAL 5 - QD1 ILE 8 far 0 95 0 - 8.4-10.1 H ARG 19 - QD1 ILE 8 far 0 74 0 - 10.0-12.4 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 2 assignments used, quality = 1.00: * H LEU 57 + HA LEU 57 OK 100 100 100 100 2.9-2.9 3.0=100 H VAL 5 - HA LEU 57 far 0 99 0 - 10.0-10.8 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 3 assignments used, quality = 1.00: * HB2 LEU 57 + HA LEU 57 OK 100 100 100 100 2.4-2.7 2.9=100 HB2 LEU 6 - HA LEU 57 far 0 96 0 - 6.5-8.0 QB ALA 18 - HA LEU 57 far 0 73 0 - 6.6-7.2 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 5 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 - 7.5-8.5 HB VAL 5 - HA LEU 57 far 0 63 0 - 8.4-9.4 HB2 LYS 68 - HA LEU 57 far 0 97 0 - 9.2-11.9 HB ILE 93 - HA LEU 57 far 0 91 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 2605 from cnoeabs.peaks (1.50, 5.39, 52.09 ppm; 4.46 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 57 + HA LEU 57 OK 100 100 100 100 3.7-3.7 4.3=100 HB3 LEU 64 - HA LEU 57 far 0 99 0 - 5.7-6.6 HB ILE 7 - HA LEU 57 far 0 91 0 - 5.9-6.8 HG12 ILE 56 - HA LEU 57 far 0 77 0 - 6.1-6.8 HG2 ARG 79 - HA LEU 57 far 0 71 0 - 6.8-10.0 HG3 ARG 79 - HA LEU 57 far 0 70 0 - 7.3-10.4 HG LEU 6 - HA LEU 57 far 0 87 0 - 7.9-9.7 HG LEU 64 - HA LEU 57 far 0 91 0 - 8.3-9.1 HB2 LEU 14 - HA LEU 57 far 0 91 0 - 9.3-10.9 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 13 assignments used, quality = 1.00: * QD2 LEU 57 + HA LEU 57 OK 99 100 100 99 2.0-3.4 2.1/2642=72, 4.0=60...(19) QD1 LEU 57 + HA LEU 57 OK 72 73 100 98 1.9-2.6 2642=65, 6949/6945=30...(21) QD1 ILE 93 - HA LEU 57 far 0 84 0 - 6.0-7.2 QG2 ILE 7 - HA LEU 57 far 0 100 0 - 6.5-6.9 QD2 LEU 38 - HA LEU 57 far 0 82 0 - 6.5-9.0 QG2 ILE 8 - HA LEU 57 far 0 99 0 - 6.8-7.3 QG1 VAL 54 - HA LEU 57 far 0 70 0 - 7.4-8.0 QD1 LEU 6 - HA LEU 57 far 0 85 0 - 7.5-8.5 QG2 VAL 32 - HA LEU 57 far 0 65 0 - 7.7-8.7 QD1 ILE 15 - HA LEU 57 far 0 65 0 - 8.2-9.7 QD2 LEU 42 - HA LEU 57 far 0 79 0 - 8.9-10.7 QG2 ILE 15 - HA LEU 57 far 0 97 0 - 8.9-10.3 QD1 LEU 70 - HA LEU 57 far 0 92 0 - 9.6-13.5 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 9 assignments used, quality = 1.00: * QD1 LEU 57 + HA LEU 57 OK 100 100 100 100 1.9-2.6 2642=100, 2648/6945=45...(21) QD2 LEU 57 + HA LEU 57 OK 72 73 100 99 2.0-3.4 2.1/2642=71, 4.0=58...(21) QD2 LEU 64 - HA LEU 57 far 0 68 0 - 6.4-7.3 QD1 LEU 38 - HA LEU 57 far 0 71 0 - 6.5-9.9 QG2 ILE 7 - HA LEU 57 far 0 79 0 - 6.5-6.9 QD2 LEU 38 - HA LEU 57 far 0 100 0 - 6.5-9.0 QG2 VAL 32 - HA LEU 57 far 0 100 0 - 7.7-8.7 QG2 ILE 15 - HA LEU 57 far 0 94 0 - 8.9-10.3 QD1 LEU 70 - HA LEU 57 far 0 98 0 - 9.6-13.5 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 2.1-2.2 6945=100, 2648/2642=38...(18) 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 3 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 - 8.9-10.0 H VAL 5 - HB2 LEU 57 far 0 99 0 - 9.9-11.0 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 2.4-2.7 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 6 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 - 6.0-7.4 HB ILE 93 - HB2 LEU 57 far 0 91 0 - 7.9-9.6 HB VAL 5 - HB2 LEU 57 far 0 63 0 - 8.0-9.1 HB3 LYS 90 - HB2 LEU 57 far 0 99 0 - 8.3-11.2 HB2 LYS 90 - HB2 LEU 57 far 0 98 0 - 8.6-11.3 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 9 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 64 91 70 100 4.1-5.7 8277/1.8=59, 3.0/9345=50...(30) HB2 LEU 14 - HB2 LEU 57 far 0 91 0 - 6.8-8.8 HB3 LEU 64 - HB2 LEU 57 far 0 99 0 - 7.6-8.4 HG12 ILE 56 - HB2 LEU 57 far 0 77 0 - 8.1-8.5 HG2 ARG 79 - HB2 LEU 57 far 0 71 0 - 8.8-11.8 HG LEU 6 - HB2 LEU 57 far 0 87 0 - 8.8-10.1 HB2 ARG 91 - HB2 LEU 57 far 0 96 0 - 9.0-12.0 HG3 ARG 79 - HB2 LEU 57 far 0 70 0 - 9.3-12.3 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 12 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 0 84 0 - 4.7-5.8 QG2 ILE 7 - HB2 LEU 57 far 0 100 0 - 4.9-6.1 QD1 ILE 15 - HB2 LEU 57 far 0 65 0 - 6.5-8.6 QG2 ILE 8 - HB2 LEU 57 far 0 99 0 - 6.7-7.5 QG2 ILE 15 - HB2 LEU 57 far 0 97 0 - 7.0-9.0 QD2 LEU 38 - HB2 LEU 57 far 0 82 0 - 7.4-10.2 QG2 VAL 32 - HB2 LEU 57 far 0 65 0 - 7.6-9.0 QG1 VAL 54 - HB2 LEU 57 far 0 70 0 - 8.3-8.9 QD1 LEU 6 - HB2 LEU 57 far 0 85 0 - 8.3-9.4 QD1 LEU 27 - HB2 LEU 57 far 0 82 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 8 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 - 4.9-6.1 QG2 ILE 15 - HB2 LEU 57 far 0 94 0 - 7.0-9.0 QD2 LEU 38 - HB2 LEU 57 far 0 100 0 - 7.4-10.2 QG2 VAL 32 - HB2 LEU 57 far 0 100 0 - 7.6-9.0 QD1 LEU 38 - HB2 LEU 57 far 0 71 0 - 7.6-11.4 QD2 LEU 64 - HB2 LEU 57 far 0 68 0 - 7.9-8.9 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 3.3-3.6 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 2.3-2.7 3.9=100 H ARG 19 - HB3 LEU 57 far 0 79 0 - 8.0-9.1 H VAL 5 - HB3 LEU 57 far 0 99 0 - 8.2-9.5 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): 1 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 far 4 73 5 - 4.2-4.8 HB2 LEU 6 - HB3 LEU 57 far 0 96 0 - 5.8-6.9 HB2 LEU 29 - HB3 LEU 57 far 0 65 0 - 7.8-8.9 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 9 assignments used, quality = 1.00: * HG LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.3-2.6 3.0=100 HB ILE 7 + HB3 LEU 57 OK 91 91 100 100 3.0-4.0 8277=62, 3.0/8272=61...(30) HG12 ILE 56 - HB3 LEU 57 far 0 77 0 - 6.8-7.7 HG LEU 6 - HB3 LEU 57 far 0 87 0 - 7.2-8.6 HB2 LEU 14 - HB3 LEU 57 far 0 91 0 - 7.6-9.4 HG2 ARG 79 - HB3 LEU 57 far 0 71 0 - 8.2-11.8 HB3 LEU 64 - HB3 LEU 57 far 0 99 0 - 8.3-9.1 HG3 ARG 79 - HB3 LEU 57 far 0 70 0 - 8.9-12.2 HB2 ARG 91 - HB3 LEU 57 far 0 96 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2622 from cnoeabs.peaks (0.80, 1.82, 42.45 ppm; 3.49 A): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.1-2.6 3.1=100 QD1 LEU 57 + HB3 LEU 57 OK 73 73 100 100 3.1-3.2 3.1=100 QG2 ILE 7 - HB3 LEU 57 far 15 100 15 - 4.3-4.8 QD1 ILE 93 - HB3 LEU 57 far 8 84 10 - 4.1-5.4 QD1 ILE 15 - HB3 LEU 57 far 0 65 0 - 6.2-8.0 QD2 LEU 38 - HB3 LEU 57 far 0 82 0 - 6.5-9.6 QG2 ILE 8 - HB3 LEU 57 far 0 99 0 - 6.5-7.3 QG2 VAL 32 - HB3 LEU 57 far 0 65 0 - 6.5-7.7 QG2 ILE 15 - HB3 LEU 57 far 0 97 0 - 6.6-7.8 QG1 VAL 54 - HB3 LEU 57 far 0 70 0 - 6.9-7.9 QD1 LEU 6 - HB3 LEU 57 far 0 85 0 - 7.0-8.2 QD1 LEU 27 - HB3 LEU 57 far 0 82 0 - 8.8-10.3 QD2 LEU 42 - HB3 LEU 57 far 0 79 0 - 9.0-11.2 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 8 assignments used, quality = 1.00: * QD1 LEU 57 + HB3 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 QD2 LEU 57 + HB3 LEU 57 OK 73 73 100 100 2.1-2.6 3.1=100 QG2 ILE 7 + HB3 LEU 57 OK 43 79 55 100 4.3-4.8 3.0/8272=50, 3.0/8287=47...(31) QD2 LEU 38 - HB3 LEU 57 far 0 100 0 - 6.5-9.6 QG2 VAL 32 - HB3 LEU 57 far 0 100 0 - 6.5-7.7 QG2 ILE 15 - HB3 LEU 57 far 0 94 0 - 6.6-7.8 QD1 LEU 38 - HB3 LEU 57 far 0 71 0 - 6.7-10.6 QD2 LEU 64 - HB3 LEU 57 far 0 68 0 - 8.8-9.7 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): 1 out of 5 assignments used, quality = 1.00: * H LEU 57 + HG LEU 57 OK 100 100 100 100 4.0-4.4 6938/3.0=81, 4.9=79...(16) H VAL 5 - HG3 ARG 30 far 8 51 15 - 5.2-7.6 H ARG 19 - HG LEU 57 far 0 79 0 - 8.0-9.4 H VAL 5 - HG LEU 57 far 0 99 0 - 8.6-9.7 H ARG 19 - HG3 ARG 30 far 0 36 0 - 9.4-12.1 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 3.7-3.7 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 25 73 100 34 3.9-4.9 8278/275=10...(8) HB2 LEU 29 - HG3 ARG 30 far 0 28 0 - 6.0-8.7 HB2 LEU 6 - HG3 ARG 30 far 0 47 0 - 6.1-8.3 HG2 LYS 40 - HG3 ARG 30 far 0 26 0 - 7.3-10.4 HB2 LEU 6 - HG LEU 57 far 0 96 0 - 7.5-8.7 HB2 LEU 29 - HG LEU 57 far 0 65 0 - 7.8-8.6 QB ALA 18 - HG3 ARG 30 far 0 33 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (1.82, 1.50, 26.28 ppm; 4.43 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 57 + HG LEU 57 OK 100 100 100 100 2.3-2.6 3.0=100 HB ILE 93 - HG LEU 57 far 0 91 0 - 5.7-7.5 HB VAL 5 - HG3 ARG 30 far 0 27 0 - 6.1-9.2 HB VAL 5 - HG LEU 57 far 0 63 0 - 6.2-7.5 HB2 GLU 88 - HG LEU 57 far 0 96 0 - 6.3-7.5 HB3 LYS 90 - HG LEU 57 far 0 99 0 - 7.2-9.4 HB2 LYS 90 - HG LEU 57 far 0 98 0 - 7.3-9.6 HB2 LEU 42 - HG3 ARG 30 far 0 47 0 - 9.8-12.6 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 25 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 34 84 100 40 2.9-4.0 10021/10214=19...(10) QG2 VAL 32 - HG3 ARG 30 far 0 28 0 - 5.0-6.5 QD1 LEU 6 - HG3 ARG 30 far 0 40 0 - 5.1-6.6 QG2 ILE 7 - HG LEU 57 far 0 100 0 - 5.5-6.5 QG1 VAL 54 - HG3 ARG 30 far 0 30 0 - 6.0-7.8 QG2 ILE 7 - HG3 ARG 30 far 0 53 0 - 6.8-7.7 QG2 ILE 15 - HG LEU 57 far 0 97 0 - 7.1-9.0 QG2 ILE 15 - HG3 ARG 30 far 0 49 0 - 7.2-8.7 QD2 LEU 38 - HG3 ARG 30 far 0 38 0 - 7.2-11.4 QG1 VAL 54 - HG LEU 57 far 0 70 0 - 7.5-8.4 QD1 ILE 15 - HG LEU 57 far 0 65 0 - 7.7-9.5 QD1 LEU 27 - HG LEU 57 far 0 82 0 - 7.8-9.1 QD2 LEU 38 - HG LEU 57 far 0 82 0 - 8.2-11.4 QD2 LEU 42 - HG3 ARG 30 far 0 36 0 - 8.3-10.4 QG2 VAL 32 - HG LEU 57 far 0 65 0 - 8.3-9.5 QD1 LEU 6 - HG LEU 57 far 0 85 0 - 8.4-9.5 QG2 ILE 8 - HG LEU 57 far 0 99 0 - 8.4-9.1 QD2 LEU 57 - HG3 ARG 30 far 0 53 0 - 8.9-10.9 QD1 ILE 93 - HG3 ARG 30 far 0 39 0 - 8.9-10.7 QD1 LEU 27 - HG3 ARG 30 far 0 38 0 - 9.0-11.9 QD1 ILE 15 - HG3 ARG 30 far 0 28 0 - 9.4-10.6 QG2 ILE 52 - HG3 ARG 30 far 0 47 0 - 9.5-13.3 QD1 ILE 76 - HG3 ARG 30 far 0 53 0 - 9.7-11.9 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 15 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 QG2 VAL 32 - HG3 ARG 30 far 0 53 0 - 5.0-6.5 QG2 ILE 7 - HG LEU 57 far 0 79 0 - 5.5-6.5 QG2 ILE 7 - HG3 ARG 30 far 0 36 0 - 6.8-7.7 QG2 ILE 15 - HG LEU 57 far 0 94 0 - 7.1-9.0 QG2 ILE 15 - HG3 ARG 30 far 0 46 0 - 7.2-8.7 QD2 LEU 38 - HG3 ARG 30 far 0 53 0 - 7.2-11.4 QD1 LEU 38 - HG3 ARG 30 far 0 31 0 - 7.8-11.2 QD2 LEU 38 - HG LEU 57 far 0 100 0 - 8.2-11.4 QD1 LEU 38 - HG LEU 57 far 0 71 0 - 8.2-12.2 QG2 VAL 32 - HG LEU 57 far 0 100 0 - 8.3-9.5 QD2 LEU 57 - HG3 ARG 30 far 0 33 0 - 8.9-10.9 QD2 LEU 64 - HG LEU 57 far 0 68 0 - 9.2-10.2 QD1 ILE 76 - HG3 ARG 30 far 0 38 0 - 9.7-11.9 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 5.2-5.5 2648/2.1=100...(11) Violated in 2 structures by 0.00 A. Peak 2633 from cnoeabs.peaks (8.93, 0.80, 25.48 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.9 4.6=97, 2641/2.1=79...(24) H VAL 5 + QD1 LEU 6 OK 39 64 65 92 4.7-5.7 8183/2.1=27, 6058/4.6=26...(16) H LEU 57 - QD2 LEU 38 poor 14 64 60 35 4.7-7.8 6932/10674=12...(10) H LEU 57 - QD1 LEU 6 far 7 68 10 - 5.3-6.3 H VAL 5 - QD2 LEU 57 far 0 99 0 - 5.7-7.6 H ARG 19 - QD2 LEU 57 far 0 79 0 - 6.9-9.4 H VAL 5 - QD2 LEU 38 far 0 61 0 - 7.2-11.3 H LEU 57 - QD1 LEU 70 far 0 61 0 - 8.4-12.5 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 4 assignments used, quality = 1.00: * HA LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.0-3.4 4.0=100 HA LEU 57 - QD2 LEU 38 far 0 64 0 - 6.5-9.0 HA LEU 57 - QD1 LEU 6 far 0 68 0 - 7.5-8.5 HA LEU 57 - QD1 LEU 70 far 0 61 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (1.20, 0.80, 25.48 ppm; 3.34 A): 2 out of 19 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 2.1-2.8 3.1=100 HB2 LEU 6 - QD2 LEU 38 poor 14 57 65 38 2.6-6.6 ~12070=9, ~10231=8...(10) QB ALA 18 - QD2 LEU 57 poor 9 73 55 21 3.6-5.6 2627/2.1=8, 8276/244=5...(6) HB2 LEU 6 - QD2 LEU 57 far 0 96 0 - 4.5-6.7 QG2 THR 34 - QD2 LEU 38 far 0 53 0 - 5.5-7.0 HB2 LEU 29 - QD2 LEU 57 far 0 65 0 - 5.7-7.9 QG2 THR 34 - QD1 LEU 70 far 0 50 0 - 6.5-8.3 HG2 LYS 40 - QD1 LEU 6 far 0 35 0 - 6.6-8.0 HB2 LEU 6 - QD1 LEU 70 far 0 54 0 - 7.2-10.4 HB2 LEU 57 - QD2 LEU 38 far 0 64 0 - 7.4-10.2 HB2 LEU 29 - QD1 LEU 6 far 0 37 0 - 7.6-8.4 QB ALA 18 - QD1 LEU 6 far 0 42 0 - 7.7-8.6 HG2 LYS 40 - QD2 LEU 38 far 0 32 0 - 7.9-9.3 QB ALA 18 - QD2 LEU 38 far 0 40 0 - 8.0-10.9 QG2 THR 34 - QD1 LEU 6 far 0 56 0 - 8.3-9.6 HB2 LEU 57 - QD1 LEU 6 far 0 68 0 - 8.3-9.4 HG2 LYS 40 - QD1 LEU 70 far 0 30 0 - 8.5-10.4 HB2 LEU 29 - QD2 LEU 38 far 0 35 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (1.82, 0.80, 25.48 ppm; 3.59 A): 3 out of 35 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 38 45 90 95 2.5-4.8 ~10822=27, 3.0/8952=25...(28) HB3 LYS 66 + QD1 LEU 70 OK 25 32 85 93 3.1-6.5 3.0/9517=53, 4.0/9506=23...(21) HB VAL 5 - QD2 LEU 57 poor 19 63 45 65 4.1-6.2 2.1/9364=22, ~10695=15...(10) HB3 LYS 39 - QD1 LEU 70 poor 9 30 30 - 2.1-5.7 HB3 LYS 66 - QD2 LEU 38 poor 7 34 20 - 3.7-6.8 HB2 LEU 42 - QD1 LEU 6 far 3 60 5 - 4.3-5.9 HB2 LYS 39 - QD2 LEU 38 far 2 47 5 - 4.4-6.5 HB3 LYS 39 - QD2 LEU 38 far 0 32 0 - 4.5-7.5 HB ILE 93 - QD2 LEU 57 far 0 91 0 - 4.8-6.5 HB2 LEU 42 - QD1 LEU 70 far 0 54 0 - 4.9-6.4 HB2 LEU 42 - QD2 LEU 38 far 0 57 0 - 5.9-7.0 HB VAL 5 - QD1 LEU 6 far 0 36 0 - 6.0-7.0 HB3 LEU 57 - QD2 LEU 38 far 0 64 0 - 6.5-9.6 HB2 LYS 39 - QD1 LEU 6 far 0 50 0 - 6.5-7.8 HB2 GLU 88 - QD2 LEU 57 far 0 96 0 - 6.6-7.9 HB2 LYS 68 - QD1 LEU 70 far 0 56 0 - 6.6-9.0 HB3 LYS 39 - QD1 LEU 6 far 0 35 0 - 6.8-8.2 HB3 LEU 57 - QD1 LEU 6 far 0 68 0 - 7.0-8.2 HB3 LYS 90 - QD2 LEU 57 far 0 99 0 - 7.2-9.5 HB2 LYS 90 - QD2 LEU 57 far 0 98 0 - 7.2-9.3 HG3 ARG 46 - QD1 LEU 6 far 0 36 0 - 7.5-10.9 HB2 LYS 68 - QD2 LEU 38 far 0 59 0 - 7.7-9.8 HB VAL 5 - QD2 LEU 38 far 0 34 0 - 7.9-12.1 HG2 ARG 46 - QD1 LEU 6 far 0 68 0 - 8.0-11.3 HB3 LYS 66 - QD1 LEU 6 far 0 36 0 - 8.2-10.6 HB2 LYS 53 - QD1 LEU 6 far 0 60 0 - 8.3-9.6 HB2 LYS 53 - QD2 LEU 57 far 0 95 0 - 8.3-9.0 HG3 ARG 46 - QD1 LEU 70 far 0 32 0 - 8.4-12.3 HB2 LYS 68 - QD2 LEU 57 far 0 97 0 - 8.8-11.5 HG2 ARG 46 - QD1 LEU 70 far 0 61 0 - 9.1-12.6 HB2 LYS 68 - QD1 LEU 6 far 0 62 0 - 9.3-11.1 HB2 GLU 104 - QD2 LEU 57 far 0 96 0 - 9.4-18.5 HG3 ARG 46 - QD2 LEU 38 far 0 34 0 - 9.9-13.8 HG2 ARG 46 - QD2 LEU 38 far 0 64 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 2637 from cnoeabs.peaks (1.50, 0.80, 25.48 ppm; 3.26 A): 4 out of 52 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 7 + QD2 LEU 57 OK 53 91 60 97 2.9-5.3 244=32, 8277/3.1=27...(30) HG LEU 6 + QD1 LEU 6 OK 53 53 100 100 2.1-2.1 2.1=100 HG12 ILE 56 + QD1 LEU 6 OK 24 45 65 81 2.4-6.0 ~10676=19, 2.1/324=19...(15) HG12 ILE 56 - QD2 LEU 38 poor 17 42 40 - 2.7-7.4 HG3 LYS 66 - QD1 LEU 70 far 9 59 15 - 2.7-6.8 HG LEU 6 - QD2 LEU 38 far 7 49 15 - 3.9-7.7 HG2 LYS 66 - QD1 LEU 70 far 6 58 10 - 3.3-7.5 HG3 LYS 66 - QD2 LEU 38 far 3 62 5 - 4.1-8.3 HG2 LYS 73 - QD1 LEU 70 far 0 59 0 - 4.4-7.3 HG2 ARG 79 - QD2 LEU 57 far 0 71 0 - 4.6-8.1 HG12 ILE 56 - QD2 LEU 57 far 0 77 0 - 4.8-5.7 HG3 ARG 79 - QD2 LEU 57 far 0 70 0 - 4.9-8.7 HG2 LYS 66 - QD2 LEU 38 far 0 62 0 - 5.1-8.7 HG3 ARG 30 - QD1 LEU 6 far 0 46 0 - 5.1-6.6 HG LEU 6 - QD2 LEU 57 far 0 87 0 - 5.1-7.5 HG12 ILE 56 - QD1 LEU 70 far 0 40 0 - 6.1-10.3 HB3 LEU 64 - QD2 LEU 57 far 0 99 0 - 6.4-8.4 HB ILE 7 - QD2 LEU 38 far 0 53 0 - 6.6-9.8 HD3 LYS 40 - QD1 LEU 6 far 0 37 0 - 6.6-8.6 HB ILE 7 - QD1 LEU 6 far 0 56 0 - 6.6-7.3 HG3 LYS 33 - QD2 LEU 38 far 0 64 0 - 7.0-8.2 HB3 LEU 64 - QD2 LEU 38 far 0 61 0 - 7.1-8.7 HD2 LYS 40 - QD1 LEU 6 far 0 36 0 - 7.1-9.7 HG3 ARG 30 - QD2 LEU 38 far 0 44 0 - 7.2-11.4 HG2 ARG 79 - QD1 LEU 6 far 0 41 0 - 7.3-11.2 HD3 LYS 40 - QD2 LEU 38 far 0 35 0 - 7.5-9.9 HB2 ARG 91 - QD2 LEU 57 far 0 96 0 - 7.5-9.9 HD2 LYS 40 - QD2 LEU 38 far 0 34 0 - 7.8-10.2 HG LEU 64 - QD2 LEU 38 far 0 53 0 - 7.9-9.6 HG LEU 64 - QD1 LEU 70 far 0 50 0 - 8.0-10.8 HG3 LYS 33 - QD1 LEU 6 far 0 68 0 - 8.1-9.6 HG2 LYS 73 - QD2 LEU 38 far 0 62 0 - 8.1-11.4 HG3 ARG 79 - QD1 LEU 6 far 0 40 0 - 8.2-10.8 HG LEU 57 - QD2 LEU 38 far 0 64 0 - 8.2-11.4 HB3 LEU 64 - QD1 LEU 70 far 0 58 0 - 8.3-11.6 HG LEU 6 - QD1 LEU 70 far 0 47 0 - 8.3-11.3 HG2 ARG 79 - QD2 LEU 38 far 0 39 0 - 8.3-13.6 HG LEU 64 - QD2 LEU 57 far 0 91 0 - 8.4-10.4 HG LEU 57 - QD1 LEU 6 far 0 68 0 - 8.4-9.5 HD3 LYS 40 - QD1 LEU 70 far 0 33 0 - 8.5-11.2 HD2 LYS 40 - QD1 LEU 70 far 0 32 0 - 8.5-11.2 HB2 LEU 14 - QD2 LEU 57 far 0 91 0 - 8.6-10.0 HG3 ARG 30 - QD2 LEU 57 far 0 79 0 - 8.9-10.9 HG LEU 2 - QD1 LEU 6 far 0 62 0 - 9.4-11.4 HG3 LYS 33 - QD1 LEU 70 far 0 61 0 - 9.5-12.4 HG2 LYS 53 - QD1 LEU 6 far 0 35 0 - 9.6-10.9 HG3 LYS 53 - QD1 LEU 6 far 0 41 0 - 9.6-11.1 HG3 ARG 79 - QD2 LEU 38 far 0 37 0 - 9.7-13.2 HB3 LEU 64 - QD1 LEU 6 far 0 64 0 - 9.7-10.9 HG2 LYS 47 - QD1 LEU 6 far 0 65 0 - 9.8-12.4 HG3 LYS 66 - QD1 LEU 6 far 0 66 0 - 9.9-11.8 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 3.8-5.0 2648/2.1=100...(13) H VAL 58 - QD2 LEU 38 lone 5 64 40 19 6.4-8.5 9371/9526=8, 4.6/2633=7 H VAL 58 - QD1 LEU 6 far 0 68 0 - 8.2-9.3 H VAL 58 - QD1 LEU 70 far 0 61 0 - 9.2-13.0 H ASP 61 - QD2 LEU 38 far 0 36 0 - 9.8-11.6 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 3 assignments used, quality = 1.00: * H LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.1-4.5 4.6=84, 3.0/2642=83...(15) H VAL 5 - QD1 LEU 57 far 0 99 0 - 7.7-9.9 H ARG 19 - QD1 LEU 57 far 0 79 0 - 8.1-9.7 Violated in 8 structures by 0.04 A. Peak 2642 from cnoeabs.peaks (5.39, 0.83, 23.91 ppm; 3.15 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 57 + QD1 LEU 57 OK 98 100 100 98 1.9-2.6 4.0=48, 6945/2648=39...(22) 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 far 4 73 5 - 4.2-5.7 HB2 LEU 6 - QD1 LEU 57 far 0 96 0 - 5.9-8.6 QG2 THR 34 - QD2 LEU 70 far 0 48 0 - 7.2-9.2 HB2 LEU 29 - QD1 LEU 57 far 0 65 0 - 8.1-9.2 HG2 LYS 40 - QD2 LEU 70 far 0 29 0 - 9.0-11.5 HB2 LEU 6 - QD2 LEU 70 far 0 52 0 - 9.2-10.6 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 LYS 39 + QD2 LEU 70 OK 34 43 85 94 2.8-5.9 3.0/8952=29...(23) HB2 GLU 88 + QD1 LEU 57 OK 28 96 35 84 4.2-6.6 7402/9926=36...(9) HB3 LYS 39 + QD2 LEU 70 OK 23 29 85 93 3.8-6.2 3.0/8952=29...(20) HB3 LYS 66 - QD2 LEU 70 far 3 30 10 - 4.4-6.5 HB2 LEU 42 - QD2 LEU 70 far 0 51 0 - 5.4-7.3 HB ILE 93 - QD1 LEU 57 far 0 91 0 - 5.8-7.5 HB VAL 5 - QD1 LEU 57 far 0 63 0 - 6.3-8.2 HB2 LYS 90 - QD1 LEU 57 far 0 98 0 - 6.6-9.1 HB2 LYS 68 - QD2 LEU 70 far 0 53 0 - 7.2-8.8 HB3 LYS 90 - QD1 LEU 57 far 0 99 0 - 7.4-9.4 HB2 GLU 104 - QD1 LEU 57 far 0 96 0 - 8.3-19.9 HB2 LYS 53 - QD1 LEU 57 far 0 95 0 - 8.6-11.1 HG3 ARG 46 - QD2 LEU 70 far 0 30 0 - 8.7-11.7 HB2 LYS 68 - QD1 LEU 57 far 0 97 0 - 8.7-12.1 HG2 ARG 46 - QD2 LEU 70 far 0 58 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 2645 from cnoeabs.peaks (1.50, 0.83, 23.91 ppm; 3.07 A): 1 out of 20 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 poor 14 56 25 - 3.3-4.7 HG3 LYS 66 - QD2 LEU 70 far 0 57 0 - 4.2-6.5 HG2 LYS 66 - QD2 LEU 70 far 0 56 0 - 4.4-7.0 HG2 ARG 79 - QD1 LEU 57 far 0 71 0 - 5.1-8.8 HG12 ILE 56 - QD1 LEU 57 far 0 77 0 - 5.1-7.7 HB ILE 7 - QD1 LEU 57 far 0 91 0 - 5.2-6.1 HG3 ARG 79 - QD1 LEU 57 far 0 70 0 - 5.2-9.2 HB2 ARG 91 - QD1 LEU 57 far 0 96 0 - 6.0-8.8 HB3 LEU 64 - QD1 LEU 57 far 0 99 0 - 6.4-7.1 HG LEU 6 - QD1 LEU 57 far 0 87 0 - 6.8-9.6 HB2 LEU 14 - QD1 LEU 57 far 0 91 0 - 6.9-9.8 HG12 ILE 56 - QD2 LEU 70 far 0 38 0 - 7.8-10.0 HG LEU 64 - QD1 LEU 57 far 0 91 0 - 8.2-9.4 HG LEU 64 - QD2 LEU 70 far 0 48 0 - 8.4-10.5 HD3 LYS 40 - QD2 LEU 70 far 0 31 0 - 8.8-11.4 HB3 LEU 103 - QD1 LEU 57 far 0 90 0 - 9.4-16.9 HB3 LEU 64 - QD2 LEU 70 far 0 55 0 - 9.5-11.1 HD2 LYS 40 - QD2 LEU 70 far 0 30 0 - 9.6-12.4 HG LEU 6 - QD2 LEU 70 far 0 45 0 - 9.9-11.7 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 1 assignment used, quality = 1.00: * H VAL 58 + QD1 LEU 57 OK 100 100 100 100 3.2-3.8 6950=75, 6945/2642=71...(14) Violated in 0 structures by 0.00 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 - 8.2-8.6 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 65 70 95 99 2.9-4.6 3.2/9374=54...(27) QD2 LEU 14 - HA VAL 58 far 11 71 15 - 4.3-5.5 QD1 LEU 14 - HA VAL 58 far 0 100 0 - 5.8-7.0 QD1 ILE 56 - HA VAL 58 far 0 73 0 - 6.9-7.8 HG13 ILE 56 - HA VAL 58 far 0 59 0 - 7.7-8.9 QD2 LEU 6 - HA VAL 58 far 0 99 0 - 7.9-9.5 QD1 LEU 29 - HA VAL 58 far 0 90 0 - 8.5-9.3 QD2 LEU 29 - HA VAL 58 far 0 71 0 - 8.9-10.1 QD1 LEU 42 - HA VAL 58 far 0 98 0 - 9.6-11.3 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 14 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 76 99 80 96 2.9-4.6 3.2/9374=42...(26) QD2 LEU 14 - HA VAL 58 far 0 98 0 - 4.3-5.5 QD1 LEU 64 - HA VAL 58 far 0 91 0 - 6.3-6.8 QD1 ILE 15 - HA VAL 58 far 0 59 0 - 6.3-7.7 QD1 ILE 56 - HA VAL 58 far 0 98 0 - 6.9-7.8 HG13 ILE 15 - HA VAL 58 far 0 70 0 - 7.3-8.5 QG1 VAL 5 - HA VAL 58 far 0 100 0 - 7.4-8.5 HG3 ARG 81 - HA VAL 58 far 0 93 0 - 7.6-10.6 HG13 ILE 56 - HA VAL 58 far 0 100 0 - 7.7-8.9 QD2 LEU 6 - HA VAL 58 far 0 70 0 - 7.9-9.5 QG2 VAL 78 - HA VAL 58 far 0 100 0 - 8.9-11.8 QG1 VAL 78 - HA VAL 58 far 0 85 0 - 9.2-12.0 QD1 LEU 42 - HA VAL 58 far 0 73 0 - 9.6-11.3 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 2.3-2.6 6958=100, 6959/3.0=50...(17) H ILE 8 + HA VAL 58 OK 96 100 100 96 2.6-3.3 8298=64, 6094/9374=41...(12) H ARG 81 - HA VAL 58 far 0 59 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (8.54, 2.60, 33.16 ppm; 5.14 A): 1 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 far 0 68 0 - 6.1-6.7 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 15 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 58 70 85 99 3.2-4.5 2670/2.1=33, 3.2/8301=29...(29) QD1 LEU 42 + HG3 MET 74 OK 31 61 55 93 1.9-5.7 9605/3.4=43, 9615/1.8=34...(22) QD2 LEU 14 - HB VAL 58 far 0 71 0 - 6.2-7.4 QD1 ILE 56 - HG3 MET 74 far 0 41 0 - 6.2-10.4 QG2 VAL 54 - HG3 MET 74 far 0 54 0 - 6.3-10.8 QD1 ILE 56 - HB VAL 58 far 0 73 0 - 7.0-8.0 QD1 LEU 14 - HB VAL 58 far 0 100 0 - 7.2-8.4 QD1 ILE 52 - HG3 MET 74 far 0 56 0 - 8.3-11.5 HG13 ILE 56 - HB VAL 58 far 0 59 0 - 8.5-9.6 QD2 LEU 6 - HB VAL 58 far 0 99 0 - 8.7-10.6 HG13 ILE 56 - HG3 MET 74 far 0 32 0 - 8.8-13.3 QD2 LEU 6 - HG3 MET 74 far 0 63 0 - 8.8-12.4 QD1 ILE 8 - HG3 MET 74 far 0 39 0 - 9.2-12.7 QD1 LEU 42 - HB VAL 58 far 0 98 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (0.72, 2.60, 33.16 ppm; 3.25 A): 2 out of 22 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 72 99 75 98 3.2-4.5 3.2/8301=26, 2653/3.0=22...(30) QD1 LEU 42 - HG3 MET 74 poor 19 41 55 84 1.9-5.7 9615/1.8=26, ~10340=17...(19) QG1 VAL 78 - HG3 MET 74 far 0 50 0 - 4.6-9.1 QG2 VAL 78 - HG3 MET 74 far 0 66 0 - 5.0-9.8 QD1 LEU 64 - HB VAL 58 far 0 91 0 - 5.3-5.9 QD2 LEU 14 - HB VAL 58 far 0 98 0 - 6.2-7.4 QD1 ILE 56 - HG3 MET 74 far 0 61 0 - 6.2-10.4 QD1 ILE 56 - HB VAL 58 far 0 98 0 - 7.0-8.0 QD1 ILE 15 - HB VAL 58 far 0 59 0 - 8.1-9.5 QD1 ILE 52 - HG3 MET 74 far 0 49 0 - 8.3-11.5 HG3 ARG 81 - HB VAL 58 far 0 93 0 - 8.4-11.3 HG13 ILE 56 - HB VAL 58 far 0 100 0 - 8.5-9.6 QD2 LEU 6 - HB VAL 58 far 0 70 0 - 8.7-10.6 HG13 ILE 56 - HG3 MET 74 far 0 65 0 - 8.8-13.3 QD2 LEU 6 - HG3 MET 74 far 0 39 0 - 8.8-12.4 QG2 VAL 78 - HB VAL 58 far 0 100 0 - 9.0-12.0 QG1 VAL 5 - HB VAL 58 far 0 100 0 - 9.1-10.1 QD1 ILE 8 - HG3 MET 74 far 0 63 0 - 9.2-12.7 HG13 ILE 15 - HB VAL 58 far 0 70 0 - 9.3-10.8 QG1 VAL 78 - HB VAL 58 far 0 85 0 - 9.6-12.1 QD1 LEU 42 - HB VAL 58 far 0 73 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (8.80, 2.60, 33.16 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HB VAL 58 OK 100 100 100 100 2.0-2.5 6959=100, 6961/2.1=72...(17) H ILE 8 - HB VAL 58 far 5 100 5 - 4.5-5.5 H ARG 81 - HB VAL 58 far 0 59 0 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 2661 from cnoeabs.peaks (8.54, 0.68, 19.32 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 58 + QG2 VAL 58 OK 100 100 100 100 1.9-2.3 6953=100, 6954/2.1=70...(18) H ASP 61 - QG2 VAL 58 far 0 68 0 - 4.8-5.5 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): 2 out of 15 assignments used, quality = 1.00: * QG1 VAL 58 + QG2 VAL 58 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 64 + QG2 VAL 58 OK 77 91 100 85 2.8-3.3 2843/9475=21...(22) QD1 ILE 8 - QG2 VAL 58 far 0 99 0 - 3.8-4.5 QD1 ILE 56 - QG2 VAL 58 far 0 98 0 - 5.3-6.3 HG3 ARG 81 - QG2 VAL 58 far 0 93 0 - 5.4-7.7 QD2 LEU 14 - QG2 VAL 58 far 0 98 0 - 5.8-6.6 HG13 ILE 56 - QG2 VAL 58 far 0 100 0 - 6.3-7.8 QG2 VAL 78 - QG2 VAL 58 far 0 100 0 - 6.4-9.2 QG1 VAL 78 - QG2 VAL 58 far 0 85 0 - 7.2-9.6 QG1 VAL 5 - QG2 VAL 58 far 0 100 0 - 7.2-8.3 QD1 ILE 15 - QG2 VAL 58 far 0 59 0 - 7.9-9.0 QD2 LEU 6 - QG2 VAL 58 far 0 70 0 - 8.1-9.2 QD1 LEU 42 - QG2 VAL 58 far 0 73 0 - 8.2-9.1 HG13 ILE 15 - QG2 VAL 58 far 0 70 0 - 9.2-10.1 HG13 ILE 93 - QG2 VAL 58 far 0 88 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (8.80, 0.68, 19.32 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * H SER 59 + QG2 VAL 58 OK 100 100 100 100 2.5-3.7 6960=100, 6959/2.1=88...(18) H ARG 81 + QG2 VAL 58 OK 52 59 100 87 4.0-4.9 4.7/9755=38...(11) H ILE 8 - QG2 VAL 58 far 0 100 0 - 5.1-5.5 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 2.5-3.1 6954=100, 6953/2.1=84...(18) H ASP 61 - QG1 VAL 58 far 0 68 0 - 6.7-7.2 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 1.9-2.1 2.1=100 QD1 ILE 8 + QG1 VAL 58 OK 59 70 100 85 1.7-2.3 3.2/10224=22, 2.1/311=16...(29) QD1 ILE 56 - QG1 VAL 58 far 0 73 0 - 4.2-5.0 HG13 ILE 56 - QG1 VAL 58 far 0 59 0 - 5.1-6.0 QD2 LEU 14 - QG1 VAL 58 far 0 71 0 - 5.4-6.5 QD2 LEU 6 - QG1 VAL 58 far 0 99 0 - 6.1-7.4 QD1 LEU 42 - QG1 VAL 58 far 0 98 0 - 6.6-7.6 QD1 LEU 14 - QG1 VAL 58 far 0 100 0 - 6.8-7.8 QD1 LEU 29 - QG1 VAL 58 far 0 90 0 - 7.8-8.5 QD2 LEU 29 - QG1 VAL 58 far 0 71 0 - 8.1-9.3 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): 2 out of 3 assignments used, quality = 1.00: * H SER 59 + QG1 VAL 58 OK 100 100 100 100 3.4-3.8 6961=100, 6959/2.1=78...(20) H ILE 8 + QG1 VAL 58 OK 99 100 100 99 3.1-4.0 6094/10224=54...(15) H ARG 81 - QG1 VAL 58 poor 12 59 20 - 3.8-5.3 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 - 6.4-7.4 H ARG 81 - HA SER 59 far 0 59 0 - 8.1-9.2 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 3 assignments used, quality = 1.00: * HB2 SER 59 + HA SER 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 85 - HA SER 59 far 0 73 0 - 8.9-9.8 HA GLU 62 - HA SER 59 far 0 63 0 - 10.0-10.3 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 2.4-3.0 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 3.0-3.5 3.6=100 H LEU 64 - HA SER 59 far 0 98 0 - 6.6-7.0 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 2.6-3.8 4.0=100 H ILE 8 - HB2 SER 59 far 0 100 0 - 5.6-8.2 H ARG 81 - HB2 SER 59 far 0 59 0 - 9.3-11.3 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 2.4-3.0 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 3.1-4.4 4.6=100 H LEU 64 - HB2 SER 59 far 0 98 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (8.80, 4.04, 65.60 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HB3 SER 59 OK 100 100 100 100 2.5-3.3 4.0=100 H ILE 8 - HB3 SER 59 far 0 100 0 - 5.4-7.4 H ARG 81 - HB3 SER 59 far 0 59 0 - 9.6-11.4 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 2.4-3.0 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 - 8.6-10.7 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 3.6-4.5 4.6=100 H LEU 64 - HB3 SER 59 far 0 98 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 2688 from cnoeabs.peaks (7.73, 4.81, 52.01 ppm; 4.36 A): 1 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 far 5 98 5 - 5.3-5.6 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): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 60 + HA ASN 60 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 82 - HA ASN 60 far 3 63 5 - 4.7-6.6 HB2 ASN 10 - HA ASN 60 far 0 65 0 - 9.4-12.2 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 2.3-3.0 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 3.3-4.3 4.5=83, 6974/3.0=45...(5) Violated in 4 structures by 0.00 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 2.2-2.4 3.6=100 H VAL 58 - HA ASN 60 far 0 68 0 - 7.6-8.2 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 2.2-3.9 4.0=100 H LEU 64 + HB2 ASN 60 OK 83 98 90 95 4.1-5.6 7011/9453=41...(9) 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 2.4-3.0 3.0=100 HA THR 34 - HB2 ASN 60 far 0 75 0 - 9.2-11.5 HA VAL 83 - HB2 ASN 60 far 0 96 0 - 10.0-11.1 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 2.1-3.7 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 2.1-3.5 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 2.6-4.3 6992=100, 6993/1.8=91...(6) H VAL 58 - HB2 ASN 60 far 0 68 0 - 7.4-9.1 Violated in 1 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 2.9-3.9 4.0=100 H LEU 64 + HB3 ASN 60 OK 75 98 90 85 4.2-5.6 7011/9454=44...(6) 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 2.3-3.0 3.0=100 HA THR 34 - HB3 ASN 60 far 0 75 0 - 8.8-12.7 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 6 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 - 6.1-8.4 HE3 LYS 66 - HB3 ASN 60 far 0 99 0 - 8.1-11.6 HE2 LYS 66 - HB3 ASN 60 far 0 100 0 - 8.4-11.7 HB2 ASN 10 - HB3 ASN 60 far 0 65 0 - 9.2-11.9 HE2 LYS 68 - HB3 ASN 60 far 0 94 0 - 9.5-14.9 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 3.0-4.1 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 3.2-4.1 3.5=100 Violated in 0 structures by 0.00 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 2.5-3.8 6993=100, 6992/1.8=80...(7) H VAL 58 - HB3 ASN 60 far 0 68 0 - 7.7-9.1 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 2.8-2.8 3.0=100 H VAL 58 - HA ASP 61 far 0 68 0 - 7.4-8.2 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 2.6-3.0 3.0=100 HG3 GLU 63 - HA ASP 61 far 0 100 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 2712 from cnoeabs.peaks (2.73, 4.37, 57.35 ppm; 3.64 A): 2 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 47 100 50 94 2.0-5.3 3.0/9766=37, 3.0/9767=33...(16) HB2 ASP 65 - HA ASP 61 far 5 94 5 - 4.4-6.6 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 3.4-3.6 3.6=100 H GLU 63 + HA ASP 61 OK 89 91 100 98 4.2-4.8 3.6/10743=53...(10) 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 1 assignment used, quality = 1.00: * H ASP 61 + HB2 ASP 61 OK 100 100 100 100 2.1-3.6 4.0=100 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 1 assignment used, quality = 1.00: * HA ASP 61 + HB2 ASP 61 OK 100 100 100 100 2.6-3.0 3.0=100 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 0 100 0 - 4.1-7.3 HB2 ASP 65 - HB2 ASP 61 far 0 94 0 - 4.5-7.5 HE3 LYS 40 - HB3 ASP 36 far 0 55 0 - 4.7-9.6 HE2 LYS 40 - HB3 ASP 36 far 0 57 0 - 5.0-9.7 HE2 LYS 40 - HB2 ASP 36 far 0 57 0 - 5.5-10.1 HE3 LYS 40 - HB2 ASP 36 far 0 55 0 - 5.7-10.1 Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (8.40, 2.51, 40.38 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 62 + HB2 ASP 61 OK 100 100 100 100 2.6-3.7 4.4=94, 7004/1.8=86...(9) H GLU 63 - HB2 ASP 61 poor 19 91 25 83 4.9-6.0 9456/3.0=38, 4.5/7003=38...(6) 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 2.2-3.6 4.0=100 H ASP 61 - HB2 ASP 65 far 0 76 0 - 6.3-8.3 H VAL 58 - HB3 ASP 61 far 0 68 0 - 9.7-10.7 H VAL 58 - HB2 ASP 65 far 0 44 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 2720 from cnoeabs.peaks (4.37, 2.73, 40.38 ppm; 3.57 A): 1 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 far 4 76 5 - 4.4-6.6 HA ARG 81 - HB2 ASP 65 far 0 76 0 - 9.3-11.3 HA ARG 81 - HB3 ASP 61 far 0 100 0 - 9.8-11.4 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 far 0 76 0 - 4.5-7.5 HG3 GLU 63 - HB3 ASP 61 far 0 100 0 - 6.8-8.6 HG3 GLU 63 - HB2 ASP 65 far 0 75 0 - 7.3-8.9 HG3 GLN 72 - HB2 ASP 65 far 0 54 0 - 9.8-13.1 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): 2 out of 4 assignments used, quality = 1.00: * H GLU 62 + HB3 ASP 61 OK 100 100 100 100 2.5-4.2 7004=100, 7003/1.8=67...(10) H GLU 62 + HB2 ASP 65 OK 43 76 60 94 4.6-6.4 3.0/2732=50, ~2864=46...(9) H GLU 63 - HB2 ASP 65 far 6 64 10 - 5.2-5.9 H GLU 63 - HB3 ASP 61 far 5 91 5 - 4.9-6.2 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 2.7-3.0 3.0=100 HB2 GLU 35 - HA GLU 62 far 0 99 0 - 8.9-13.1 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 2.3-3.0 3.0=100 HB2 LEU 64 - HA GLU 62 far 0 87 0 - 4.9-5.5 HG2 GLU 69 - HA GLU 62 far 0 61 0 - 6.9-8.7 HB3 GLU 35 - HA GLU 62 far 0 99 0 - 7.6-11.5 HB2 GLU 69 - HA GLU 62 far 0 61 0 - 7.9-9.7 HB3 GLU 69 - HA GLU 62 far 0 61 0 - 9.3-10.7 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 2.2-3.9 4.0=68, 1.8/2749=32...(20) HG3 GLU 62 + HA GLU 62 OK 98 100 100 98 2.4-3.4 4.0=68, 1.8/2749=33...(20) HG2 GLU 63 - HA GLU 62 far 0 73 0 - 5.2-7.2 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 2.2-3.9 4.0=68, 1.8/2749=32...(20) * HG3 GLU 62 + HA GLU 62 OK 98 100 100 98 2.4-3.4 4.0=68, 1.8/2749=33...(20) HG2 GLU 63 - HA GLU 62 far 0 73 0 - 5.2-7.2 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 3.3-3.9 7044=100, 7064/7060=79...(9) H GLU 69 - HA GLU 62 far 0 94 0 - 7.7-9.0 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 2.7-4.0 2858=81, 1.8/2864=79...(8) HB3 ASP 61 + HA GLU 62 OK 22 94 25 95 3.9-5.6 7004/3.0=59...(9) HE2 LYS 82 - HA GLU 62 far 0 87 0 - 6.4-10.0 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 3.1-3.8 2864=100, 7067/7060=74...(9) 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 2.1-3.2 4.0=100 H GLU 63 + HB2 GLU 62 OK 89 91 100 99 2.5-3.5 7015=87, 7016/1.8=52...(10) 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 2.7-3.0 3.0=100 HA LYS 47 - HB3 GLU 44 far 0 69 0 - 6.6-8.8 HA LYS 47 - HB2 GLU 44 far 0 69 0 - 7.5-8.9 HB2 SER 59 - HB2 GLU 62 far 0 63 0 - 8.0-10.5 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 15 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 - HB2 GLU 44 far 0 66 0 - 3.9-5.3 HB3 GLU 43 - HB3 GLU 44 far 0 66 0 - 4.5-5.9 HB3 GLU 35 - HB2 GLU 62 far 0 99 0 - 6.0-11.2 HB2 LEU 64 - HB2 GLU 62 far 0 87 0 - 6.5-7.0 HG2 GLU 28 - HB3 GLU 44 far 0 65 0 - 8.0-12.1 HG2 GLU 28 - HB2 GLU 44 far 0 65 0 - 8.2-12.4 HG3 GLU 28 - HB3 GLU 44 far 0 65 0 - 8.5-11.7 HG3 GLU 28 - HB2 GLU 44 far 0 65 0 - 8.6-11.4 HG2 GLU 69 - HB2 GLU 62 far 0 61 0 - 8.9-11.2 HB3 GLU 37 - HB2 GLU 44 far 0 46 0 - 9.0-10.9 HB2 GLU 69 - HB2 GLU 62 far 0 61 0 - 9.3-11.7 HB2 MET 74 - HB2 GLU 44 far 0 64 0 - 9.4-11.1 HB3 LEU 38 - HB2 GLU 44 far 0 76 0 - 9.7-12.1 HB3 GLU 37 - HB3 GLU 44 far 0 46 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (2.26, 2.02, 28.48 ppm; 3.64 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 GLU 63 - HB2 GLU 62 poor 20 73 55 50 3.3-5.8 4.8/7015=33...(3) HB2 TYR 4 - HB2 GLU 44 far 0 61 0 - 6.7-10.3 HB2 TYR 4 - HB3 GLU 44 far 0 61 0 - 7.9-10.0 HB2 GLU 48 - HB3 GLU 44 far 0 50 0 - 8.2-11.0 HB2 GLU 48 - HB2 GLU 44 far 0 50 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 2739 from cnoeabs.peaks (2.26, 2.02, 28.48 ppm; 3.64 A): 2 out of 7 assignments used, quality = 1.00: HG2 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 GLU 63 - HB2 GLU 62 poor 20 73 55 50 3.3-5.8 4.8/7015=33...(3) HB2 TYR 4 - HB2 GLU 44 far 0 61 0 - 6.7-10.3 HB2 TYR 4 - HB3 GLU 44 far 0 61 0 - 7.9-10.0 HB2 GLU 48 - HB3 GLU 44 far 0 50 0 - 8.2-11.0 HB2 GLU 48 - HB2 GLU 44 far 0 50 0 - 8.5-11.3 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 2.5-3.5 7015=100, 7016/1.8=63...(11) H GLU 62 + HB2 GLU 62 OK 91 91 100 100 2.1-3.2 4.0=100 H TYR 4 - HB2 GLU 44 far 0 66 0 - 9.3-12.4 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 2.1-3.1 7007=100, 7006/1.8=94...(16) H GLU 63 + HB3 GLU 62 OK 88 91 100 97 2.5-4.2 7015/1.8=71, 4.6=64...(11) 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 2.3-3.0 3.0=100 HB2 SER 59 - HB3 GLU 62 far 0 63 0 - 8.6-11.7 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 - 8.1-13.2 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): 2 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 far 11 73 15 - 3.3-7.3 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (2.26, 2.09, 28.48 ppm; 3.50 A): 2 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 far 11 73 15 - 3.3-7.3 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 2.5-4.2 7015/1.8=87, 4.6=74...(11) H GLU 62 + HB3 GLU 62 OK 91 91 100 100 2.1-3.1 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 + HG3 GLU 62 OK 99 100 100 99 3.7-4.4 7007/2.9=70, 7006/2.9=67...(12) * H GLU 62 + HG2 GLU 62 OK 94 100 95 99 3.7-4.6 7007/2.9=70, 7006/2.9=67...(11) H GLU 63 + HG2 GLU 62 OK 39 91 50 86 2.8-5.1 7015/2.9=49, 7016/2.9=35...(8) H GLU 63 + HG3 GLU 62 OK 36 91 45 87 3.2-5.3 7015/2.9=49, 7016/2.9=35...(8) 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 7 assignments used, quality = 1.00: * HA GLU 62 + HG2 GLU 62 OK 95 100 100 95 2.2-3.9 4.0=54, 2728/1.8=31...(20) HA GLU 62 + HG3 GLU 62 OK 95 100 100 95 2.4-3.4 4.0=54, 2728/1.8=31...(20) HA GLU 23 + HG2 GLU 23 OK 41 41 100 99 2.3-3.5 1016=68, 1043/1.8=43...(13) HA GLU 99 - HG2 GLU 95 far 0 93 0 - 6.2-8.8 HA LYS 24 - HG2 GLU 23 far 0 46 0 - 6.2-6.7 HB2 SER 59 - HG2 GLU 62 far 0 63 0 - 9.0-12.6 HA GLU 104 - HG2 GLU 95 far 0 92 0 - 9.9-17.6 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 17 assignments used, quality = 1.00: * HB2 GLU 62 + HG2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.3-3.0 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 5 91 5 - 3.4-7.3 HB2 GLU 98 - HG2 GLU 95 lone 2 68 30 11 3.5-6.5 4376/4.1=11 HB3 GLU 98 - HG2 GLU 95 far 0 70 0 - 4.3-8.1 HB2 GLU 99 - HG2 GLU 95 far 0 70 0 - 5.0-8.3 HB3 GLU 99 - HG2 GLU 95 far 0 78 0 - 5.2-8.8 HB2 MET 21 - HG2 GLU 23 far 0 30 0 - 5.8-8.1 HB2 GLU 35 - HG3 GLU 62 far 0 99 0 - 6.5-12.5 HB2 GLU 35 - HG2 GLU 62 far 0 99 0 - 7.3-11.0 HG12 ILE 93 - HG2 GLU 95 far 0 78 0 - 7.7-11.1 HB2 GLU 35 - HG2 GLU 37 far 0 70 0 - 7.8-8.8 HG12 ILE 93 - HG2 GLU 23 far 0 44 0 - 8.1-10.9 HB2 MET 21 - HG2 GLU 95 far 0 57 0 - 8.4-11.9 QE MET 74 - HG2 GLU 37 far 0 67 0 - 9.2-10.7 HB3 GLU 17 - HG2 GLU 23 far 0 53 0 - 9.7-12.0 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 50 55 100 92 2.6-3.0 2.9=68, 3.0/1016=28...(11) HB3 GLU 37 + HG2 GLU 37 OK 34 39 100 89 2.4-2.7 3.0=60, 4.1/6574=19...(12) HB2 MET 21 - HG2 GLU 23 far 0 27 0 - 5.8-8.1 QE MET 21 - HG2 GLU 23 far 0 53 0 - 5.9-7.5 HB3 LEU 38 - HG2 GLU 37 far 0 65 0 - 6.2-8.0 HG2 GLU 28 - HG2 GLU 23 far 0 41 0 - 6.3-10.9 HB2 LEU 64 - HG3 GLU 62 far 0 87 0 - 6.7-8.2 HB3 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.9-10.3 HB2 LEU 64 - HG2 GLU 62 far 0 87 0 - 7.0-8.5 HB3 GLU 35 - HG3 GLU 62 far 0 99 0 - 7.0-11.4 HG2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.1-10.0 QE MET 21 - HG2 GLU 95 far 0 90 0 - 7.1-8.6 HG2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.1-10.7 HG3 GLU 104 - HG2 GLU 95 far 0 90 0 - 7.2-18.6 HG3 GLU 28 - HG2 GLU 23 far 0 41 0 - 7.7-10.6 HB2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.8-10.6 HB2 GLU 16 - HG2 GLU 23 far 0 51 0 - 7.9-10.7 HB2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.9-10.4 HB3 GLU 35 - HG2 GLU 37 far 0 70 0 - 8.1-9.0 HB3 GLU 88 - HG2 GLU 95 far 0 89 0 - 8.3-12.5 HB2 MET 21 - HG2 GLU 95 far 0 52 0 - 8.4-11.9 HB3 GLU 69 - HG3 GLU 62 far 0 61 0 - 9.1-11.7 HB3 GLU 69 - HG2 GLU 62 far 0 61 0 - 9.2-12.0 HB3 LEU 38 - HG3 GLU 62 far 0 96 0 - 9.2-14.2 HB3 LEU 38 - HG2 GLU 62 far 0 96 0 - 10.0-13.3 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 6 assignments used, quality = 1.00: H GLU 62 + HG3 GLU 62 OK 89 91 100 98 3.7-4.4 7007/2.9=60, 7006/2.9=57...(11) H GLU 62 + HG2 GLU 62 OK 80 91 90 98 3.7-4.6 7007/2.9=60, 7006/2.9=57...(11) H GLU 95 + HG2 GLU 95 OK 75 76 100 100 2.3-3.9 7541=71, 7542/1.8=65...(13) * H GLU 63 + HG2 GLU 62 OK 45 100 50 89 2.8-5.1 7015/2.9=55, 7016/2.9=39...(8) H GLU 63 + HG3 GLU 62 OK 40 100 45 90 3.2-5.3 7015/2.9=55, 7016/2.9=39...(8) H ILE 93 - HG2 GLU 95 far 0 80 0 - 4.7-8.2 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 + HG3 GLU 62 OK 99 100 100 99 3.7-4.4 7007/2.9=70, 7006/2.9=67...(12) H GLU 62 + HG2 GLU 62 OK 94 100 95 99 3.7-4.6 7007/2.9=70, 7006/2.9=67...(11) H GLU 63 + HG2 GLU 62 OK 39 91 50 86 2.8-5.1 7015/2.9=49, 7016/2.9=35...(8) H GLU 63 + HG3 GLU 62 OK 36 91 45 87 3.2-5.3 7015/2.9=49, 7016/2.9=35...(8) 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 7 assignments used, quality = 1.00: HA GLU 62 + HG2 GLU 62 OK 95 100 100 95 2.2-3.9 4.0=54, 2728/1.8=31...(20) * HA GLU 62 + HG3 GLU 62 OK 95 100 100 95 2.4-3.4 4.0=54, 2728/1.8=31...(20) HA GLU 23 + HG2 GLU 23 OK 41 41 100 99 2.3-3.5 1016=68, 1043/1.8=43...(13) HA GLU 99 - HG2 GLU 95 far 0 93 0 - 6.2-8.8 HA LYS 24 - HG2 GLU 23 far 0 46 0 - 6.2-6.7 HB2 SER 59 - HG2 GLU 62 far 0 63 0 - 9.0-12.6 HA GLU 104 - HG2 GLU 95 far 0 92 0 - 9.9-17.6 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 17 assignments used, quality = 1.00: HB2 GLU 62 + HG2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 * HB2 GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.3-3.0 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 5 91 5 - 3.4-7.3 HB2 GLU 98 - HG2 GLU 95 lone 2 68 30 11 3.5-6.5 4376/4.1=11 HB3 GLU 98 - HG2 GLU 95 far 0 70 0 - 4.3-8.1 HB2 GLU 99 - HG2 GLU 95 far 0 70 0 - 5.0-8.3 HB3 GLU 99 - HG2 GLU 95 far 0 78 0 - 5.2-8.8 HB2 MET 21 - HG2 GLU 23 far 0 30 0 - 5.8-8.1 HB2 GLU 35 - HG3 GLU 62 far 0 99 0 - 6.5-12.5 HB2 GLU 35 - HG2 GLU 62 far 0 99 0 - 7.3-11.0 HG12 ILE 93 - HG2 GLU 95 far 0 78 0 - 7.7-11.1 HB2 GLU 35 - HG2 GLU 37 far 0 70 0 - 7.8-8.8 HG12 ILE 93 - HG2 GLU 23 far 0 44 0 - 8.1-10.9 HB2 MET 21 - HG2 GLU 95 far 0 57 0 - 8.4-11.9 QE MET 74 - HG2 GLU 37 far 0 67 0 - 9.2-10.7 HB3 GLU 17 - HG2 GLU 23 far 0 53 0 - 9.7-12.0 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 50 55 100 92 2.6-3.0 2.9=68, 3.0/1016=28...(11) HB3 GLU 37 + HG2 GLU 37 OK 34 39 100 89 2.4-2.7 3.0=60, 4.1/6574=19...(12) HB2 MET 21 - HG2 GLU 23 far 0 27 0 - 5.8-8.1 QE MET 21 - HG2 GLU 23 far 0 53 0 - 5.9-7.5 HB3 LEU 38 - HG2 GLU 37 far 0 65 0 - 6.2-8.0 HG2 GLU 28 - HG2 GLU 23 far 0 41 0 - 6.3-10.9 HB2 LEU 64 - HG3 GLU 62 far 0 87 0 - 6.7-8.2 HB3 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.9-10.3 HB2 LEU 64 - HG2 GLU 62 far 0 87 0 - 7.0-8.5 HB3 GLU 35 - HG3 GLU 62 far 0 99 0 - 7.0-11.4 HG2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.1-10.0 QE MET 21 - HG2 GLU 95 far 0 90 0 - 7.1-8.6 HG2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.1-10.7 HG3 GLU 104 - HG2 GLU 95 far 0 90 0 - 7.2-18.6 HG3 GLU 28 - HG2 GLU 23 far 0 41 0 - 7.7-10.6 HB2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.8-10.6 HB2 GLU 16 - HG2 GLU 23 far 0 51 0 - 7.9-10.7 HB2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.9-10.4 HB3 GLU 35 - HG2 GLU 37 far 0 70 0 - 8.1-9.0 HB3 GLU 88 - HG2 GLU 95 far 0 89 0 - 8.3-12.5 HB2 MET 21 - HG2 GLU 95 far 0 52 0 - 8.4-11.9 HB3 GLU 69 - HG3 GLU 62 far 0 61 0 - 9.1-11.7 HB3 GLU 69 - HG2 GLU 62 far 0 61 0 - 9.2-12.0 HB3 LEU 38 - HG3 GLU 62 far 0 96 0 - 9.2-14.2 HB3 LEU 38 - HG2 GLU 62 far 0 96 0 - 10.0-13.3 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 6 assignments used, quality = 1.00: H GLU 62 + HG3 GLU 62 OK 89 91 100 98 3.7-4.4 7007/2.9=60, 7006/2.9=57...(11) H GLU 62 + HG2 GLU 62 OK 80 91 90 98 3.7-4.6 7007/2.9=60, 7006/2.9=57...(11) H GLU 95 + HG2 GLU 95 OK 75 76 100 100 2.3-3.9 7541=71, 7542/1.8=65...(13) H GLU 63 + HG2 GLU 62 OK 45 100 50 89 2.8-5.1 7015/2.9=55, 7016/2.9=39...(8) * H GLU 63 + HG3 GLU 62 OK 40 100 45 90 3.2-5.3 7015/2.9=55, 7016/2.9=39...(8) H ILE 93 - HG2 GLU 95 far 0 80 0 - 4.7-8.2 Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (8.38, 3.91, 58.27 ppm; 3.75 A): 1 out of 2 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 far 0 91 0 - 5.1-5.3 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 2.3-2.5 3.0=100 HG2 GLU 35 - HA GLU 63 far 0 100 0 - 5.8-10.5 HG3 GLU 35 - HA GLU 63 far 0 100 0 - 6.7-10.2 Violated in 0 structures by 0.00 A. Peak 2765 from cnoeabs.peaks (1.78, 3.91, 58.27 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 63 + HA GLU 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 66 - HA GLU 63 far 15 98 15 - 4.0-4.9 HB ILE 56 - HA GLU 63 far 0 96 0 - 8.0-9.0 HB3 LYS 82 - HA GLU 63 far 0 97 0 - 8.9-10.2 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 3 assignments used, quality = 1.00: * HG2 GLU 63 + HA GLU 63 OK 100 100 100 100 2.6-3.8 3.8=82, 1.8/2767=68...(18) HG3 GLU 62 + HA GLU 63 OK 25 73 40 83 3.2-6.5 4.9/10741=22, ~7015=22...(19) HG2 GLU 62 + HA GLU 63 OK 22 73 35 84 3.2-6.5 4.9/10741=22, ~7015=22...(20) Violated in 2 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 2.7-3.8 3.8=96, 7023/2.9=63...(20) HB2 ASP 61 - HA GLU 63 far 0 100 0 - 7.5-8.5 Violated in 2 structures by 0.00 A. Peak 2768 from cnoeabs.peaks (7.72, 3.91, 58.27 ppm; 4.31 A): 1 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 far 0 98 0 - 5.4-5.9 H GLU 37 - HA GLU 63 far 0 87 0 - 9.3-11.9 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 3.3-4.0 7061=100, 7070/2771=67...(15) H SER 9 - HA GLU 63 far 0 99 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (1.77, 3.91, 58.27 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.98: HB3 GLU 63 + HA GLU 63 OK 98 98 100 100 3.0-3.0 3.0=100 ! HB2 LYS 66 - HA GLU 63 far 15 100 15 - 4.0-4.9 HB ILE 56 - HA GLU 63 far 0 100 0 - 8.0-9.0 HB3 LYS 82 - HA GLU 63 far 0 100 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (1.86, 3.91, 58.27 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.98: * HB3 LYS 66 + HA GLU 63 OK 98 100 100 98 2.6-3.3 2896=64, 7070/7061=54...(11) HB ILE 8 - HA GLU 63 far 0 70 0 - 5.1-6.2 HB3 LYS 68 - HA GLU 63 far 0 99 0 - 7.6-10.1 HB2 LYS 68 - HA GLU 63 far 0 88 0 - 8.4-10.1 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 2 assignments used, quality = 1.00: * H GLU 63 + HB2 GLU 63 OK 100 100 100 100 3.6-3.6 7020=97, 7021/1.8=62...(12) H GLU 62 - HB2 GLU 63 far 0 91 0 - 6.0-6.2 Violated in 20 structures by 0.08 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 2.3-2.5 3.0=100 HA GLU 35 - HB2 GLU 63 far 0 82 0 - 6.4-8.6 HB3 SER 9 - HB2 GLU 63 far 0 98 0 - 7.1-9.1 HA LEU 38 - HB2 GLU 63 far 0 57 0 - 8.6-10.3 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 0 98 0 - 5.8-7.1 HB ILE 56 - HB2 GLU 63 far 0 96 0 - 7.0-8.0 HB3 LYS 82 - HB2 GLU 63 far 0 97 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 2776 from cnoeabs.peaks (2.29, 2.20, 29.93 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 62 - HB2 GLU 63 far 0 73 0 - 5.0-8.4 HG3 GLU 62 - HB2 GLU 63 far 0 73 0 - 5.3-8.5 HG2 GLU 37 - HB2 GLU 63 far 0 63 0 - 10.0-13.3 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 2.4-3.0 3.0=100 HB2 ASP 61 - HB2 GLU 63 far 0 100 0 - 8.3-9.0 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 3.4-3.8 7031=100, 7032/1.8=74...(9) H ASN 60 + HB2 GLU 63 OK 98 98 100 100 3.6-4.8 9413=96, 9414/1.8=75...(14) H GLU 37 - HB2 GLU 63 far 0 87 0 - 9.6-11.6 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 2 assignments used, quality = 1.00: * H GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.4-2.8 4.0=100 H GLU 62 + HB3 GLU 63 OK 88 91 100 97 4.6-5.2 4.5/7021=49...(13) 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 3 assignments used, quality = 1.00: * HA GLU 63 + HB3 GLU 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 SER 9 - HB3 GLU 63 far 0 98 0 - 7.2-9.6 HA GLU 35 - HB3 GLU 63 far 0 82 0 - 7.8-10.3 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 HG2 GLU 35 - HB3 GLU 63 far 0 100 0 - 8.7-13.2 HG3 GLU 35 - HB3 GLU 63 far 0 100 0 - 9.4-13.0 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): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 GLU 62 - HB3 GLU 63 far 0 73 0 - 4.8-7.6 HG3 GLU 62 - HB3 GLU 63 far 0 73 0 - 5.2-7.7 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 2.2-2.9 3.0=100 HB2 ASP 61 - HB3 GLU 63 far 0 100 0 - 6.7-7.6 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 2 assignments used, quality = 1.00: * H LEU 64 + HB3 GLU 63 OK 100 100 100 100 2.3-2.8 7032=94, 7031/1.8=81...(17) H ASN 60 + HB3 GLU 63 OK 98 98 100 100 2.4-3.3 9414=97, 9413/1.8=83...(18) 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 2 assignments used, quality = 1.00: * H GLU 63 + HG2 GLU 63 OK 100 100 100 100 1.9-3.8 7023/1.8=87, 2772/3.0=67...(16) H GLU 62 + HG2 GLU 63 OK 54 91 65 92 3.9-6.1 9453/10234=33...(12) 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 9 assignments used, quality = 1.00: * HA GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.6-3.8 3.8=100 HA GLU 43 + HG3 GLU 43 OK 26 26 100 100 2.2-3.7 3.7=100 HA TYR 41 - HG3 GLU 43 far 0 39 0 - 5.1-7.5 HA GLU 44 - HG3 GLU 43 far 0 33 0 - 6.3-6.5 HB3 SER 9 - HG2 GLU 63 far 0 98 0 - 6.4-10.2 HA GLU 35 - HG2 GLU 63 far 0 82 0 - 7.1-10.1 HB3 SER 9 - HG3 GLU 16 far 0 98 0 - 8.3-11.0 HA GLU 35 - HG3 GLU 43 far 0 29 0 - 9.8-12.4 HB2 SER 97 - HG2 GLU 23 far 0 30 0 - 9.8-12.0 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 12 assignments used, quality = 0.98: * HB2 GLU 63 + HG2 GLU 63 OK 91 100 100 91 2.3-3.0 3.0=67, 3.0/2766=19...(11) 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 - 6.9-11.2 HB3 GLU 16 - HG2 GLU 23 far 0 35 0 - 8.1-11.8 HB3 GLU 75 - HG3 GLU 43 far 0 41 0 - 8.3-12.1 HG2 GLU 35 - HG2 GLU 63 far 0 100 0 - 8.7-12.7 HG3 GLU 35 - HG3 GLU 43 far 0 42 0 - 8.7-12.2 HG2 GLU 35 - HG3 GLU 43 far 0 42 0 - 8.9-12.1 HG2 GLU 75 - HG3 GLU 43 far 0 31 0 - 9.3-13.9 HG3 GLU 75 - HG3 GLU 43 far 0 33 0 - 9.4-13.5 HG3 GLU 35 - HG2 GLU 63 far 0 100 0 - 9.5-12.6 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 15 assignments used, quality = 1.00: * HB3 GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 LEU 42 - HG3 GLU 43 poor 16 28 80 73 3.5-5.0 4.6/6696=29...(9) HG3 ARG 19 - HG3 GLU 16 far 5 94 5 - 4.2-6.9 HG3 ARG 46 - HG3 GLU 43 far 4 41 10 - 3.9-8.5 HG3 ARG 19 - HG2 GLU 23 far 0 49 0 - 4.9-7.9 HB2 LYS 39 - HG3 GLU 43 far 0 35 0 - 5.0-7.5 HB2 LYS 66 - HG2 GLU 63 far 0 98 0 - 6.8-8.6 HB2 GLU 28 - HG2 GLU 23 far 0 30 0 - 6.9-10.3 HB2 LYS 90 - HG3 GLU 16 far 0 69 0 - 6.9-14.5 HB3 LYS 82 - HG2 GLU 63 far 0 97 0 - 8.0-9.6 HB ILE 93 - HG2 GLU 23 far 0 42 0 - 8.0-10.2 HD2 LYS 90 - HG3 GLU 16 far 0 59 0 - 8.7-13.2 HB2 LYS 90 - HG2 GLU 23 far 0 32 0 - 9.0-13.1 HB ILE 56 - HG2 GLU 63 far 0 96 0 - 9.1-10.6 HD2 LYS 90 - HG2 GLU 23 far 0 27 0 - 9.4-14.5 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 7 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 0 40 0 - 5.5-8.1 HB2 ASP 61 - HG2 GLU 63 far 0 100 0 - 6.5-9.1 HB3 ASP 36 - HG3 GLU 43 far 0 41 0 - 8.0-12.2 HB2 ASP 36 - HG3 GLU 43 far 0 40 0 - 8.6-11.7 HG3 GLU 23 - HG3 GLU 16 far 0 85 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (7.72, 2.29, 36.00 ppm; 4.73 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 64 + HG2 GLU 63 OK 100 100 100 100 3.7-5.2 7033=82, 7031/3.0=80...(13) H ASN 60 + HG2 GLU 63 OK 98 98 100 100 2.7-4.5 9412=95, 9411/1.8=83...(14) H MET 21 - HG2 GLU 23 poor 9 33 65 43 4.3-6.8 6339/5.0=27, 3.6/719=19 H ALA 25 - HG2 GLU 23 far 3 55 5 - 5.6-6.3 H MET 74 - HG3 GLU 43 far 0 28 0 - 7.0-9.9 H MET 21 - HG3 GLU 16 far 0 71 0 - 7.2-10.0 H GLU 37 - HG3 GLU 43 far 0 32 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (8.38, 2.52, 36.00 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 63 + HG3 GLU 63 OK 100 100 100 100 1.9-3.5 7023=100, 2772/3.0=57...(16) H GLU 62 + HG3 GLU 63 OK 33 91 40 91 4.1-5.7 4.5/7023=36...(11) 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 3 assignments used, quality = 1.00: * HA GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.7-3.8 3.8=100 HB3 SER 9 - HG3 GLU 63 far 0 98 0 - 6.0-9.5 HA GLU 35 - HG3 GLU 63 far 0 82 0 - 7.4-10.1 Violated in 0 structures by 0.00 A. Peak 2795 from cnoeabs.peaks (2.20, 2.52, 36.00 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 35 - HG3 GLU 63 far 0 100 0 - 8.5-13.0 HG3 GLU 35 - HG3 GLU 63 far 0 100 0 - 8.6-12.9 HB3 GLU 16 - HG3 GLU 23 far 0 35 0 - 8.7-12.1 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 2.2-2.9 3.0=100 HG3 ARG 19 - HG3 GLU 23 far 2 49 5 - 4.1-8.9 HB2 LYS 66 - HG3 GLU 63 far 0 98 0 - 6.9-8.4 HB2 GLU 28 - HG3 GLU 23 far 0 30 0 - 7.3-10.6 HB ILE 93 - HG3 GLU 23 far 0 42 0 - 8.1-10.9 HB3 LYS 82 - HG3 GLU 63 far 0 97 0 - 8.3-9.6 HB2 LYS 90 - HG3 GLU 23 far 0 32 0 - 9.2-14.2 HB ILE 56 - HG3 GLU 63 far 0 96 0 - 9.4-10.5 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 18 73 25 - 3.0-7.8 HG3 GLU 62 - HG3 GLU 63 far 0 73 0 - 4.5-8.2 HG3 GLU 16 - HG3 GLU 23 far 0 56 0 - 9.5-13.0 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): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + HG3 GLU 63 OK 100 100 100 100 4.0-4.9 7031/3.0=84, 7032/3.0=79...(13) H ASN 60 + HG3 GLU 63 OK 98 98 100 100 2.6-4.7 9411=94, 9412/1.8=85...(13) H ALA 25 - HG3 GLU 23 far 8 55 15 - 5.6-6.5 H MET 21 - HG3 GLU 23 far 5 33 15 - 4.4-7.4 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 2.8-2.9 3.0=100 H ASN 60 - HA LEU 64 far 0 98 0 - 5.6-6.5 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 6 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 GLU 69 - HA LEU 64 far 0 97 0 - 7.3-7.9 HB3 GLU 62 - HA LEU 64 far 0 87 0 - 7.4-8.6 HB2 GLU 69 - HA LEU 64 far 0 97 0 - 7.8-8.9 HB3 GLU 35 - HA LEU 64 far 0 73 0 - 8.1-10.8 HB3 GLU 69 - HA LEU 64 far 0 97 0 - 9.4-10.2 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 8 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 99 99 100 100 3.2-3.5 2827=63, 2.1/2843=63...(25) HG2 LYS 66 - HA LEU 64 far 0 100 0 - 6.2-8.1 HD2 LYS 82 - HA LEU 64 far 0 75 0 - 6.2-7.4 HG LEU 38 - HA LEU 64 far 0 75 0 - 6.3-10.6 HG3 LYS 66 - HA LEU 64 far 0 100 0 - 7.2-8.4 HB2 LEU 38 - HA LEU 64 far 0 68 0 - 7.9-9.6 HG LEU 57 - HA LEU 64 far 0 99 0 - 9.6-10.4 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 3.2-3.5 2827=64, 2.1/2843=63...(25) HB3 LEU 64 + HA LEU 64 OK 99 99 100 100 2.2-2.3 3.0=100 HG2 LYS 66 - HA LEU 64 far 0 99 0 - 6.2-8.1 HD2 LYS 82 - HA LEU 64 far 0 91 0 - 6.2-7.4 HG LEU 38 - HA LEU 64 far 0 91 0 - 6.3-10.6 HG3 LYS 66 - HA LEU 64 far 0 98 0 - 7.2-8.4 HB2 LEU 38 - HA LEU 64 far 0 85 0 - 7.9-9.6 HG LEU 57 - HA LEU 64 far 0 91 0 - 9.6-10.4 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 6 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 4.0-4.1 4.0=98, 2.1/2843=85...(28) QD1 LEU 38 - HA LEU 64 far 0 100 0 - 5.5-7.8 HG13 ILE 8 - HA LEU 64 far 0 85 0 - 6.1-8.1 QD1 LEU 57 - HA LEU 64 far 0 68 0 - 6.9-7.7 QG2 VAL 32 - HA LEU 64 far 0 75 0 - 8.1-9.3 HG13 ILE 7 - HA LEU 64 far 0 75 0 - 9.6-10.9 Violated in 20 structures by 0.05 A. Peak 2806 from cnoeabs.peaks (0.74, 3.75, 58.94 ppm; 3.18 A): 2 out of 13 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 2.4-2.7 2843=88, 2.1/2827=49...(31) QG1 VAL 58 + HA LEU 64 OK 90 91 100 99 2.1-2.8 2.1/9475=61, 9385=56...(23) QD1 ILE 8 - HA LEU 64 far 4 73 5 - 4.0-5.2 QD1 ILE 56 - HA LEU 64 far 0 70 0 - 4.7-7.1 HG13 ILE 56 - HA LEU 64 far 0 82 0 - 6.1-8.3 QG2 VAL 78 - HA LEU 64 far 0 92 0 - 6.6-9.7 QG1 VAL 78 - HA LEU 64 far 0 100 0 - 7.3-9.6 HG3 ARG 81 - HA LEU 64 far 0 100 0 - 7.7-9.9 QD1 LEU 6 - HA LEU 64 far 0 79 0 - 8.2-9.5 QD2 LEU 42 - HA LEU 64 far 0 85 0 - 8.5-9.7 QG1 VAL 54 - HA LEU 64 far 0 92 0 - 9.0-9.9 QD2 LEU 14 - HA LEU 64 far 0 71 0 - 9.2-10.1 QG1 VAL 5 - HA LEU 64 far 0 96 0 - 9.5-10.4 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 3 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 - 6.0-6.8 H GLN 72 - HA LEU 64 far 0 98 0 - 9.4-10.0 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 3 assignments used, quality = 1.00: * H ALA 67 + HA LEU 64 OK 100 100 100 100 3.3-3.7 7081=100, 2.9/2981=83...(13) H ARG 79 - HA LEU 64 far 0 93 0 - 9.1-10.6 H ILE 7 - HA LEU 64 far 0 90 0 - 9.9-11.3 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 2.3-2.7 2981=100, 2985/7099=50...(17) HB2 LYS 82 + HA LEU 64 OK 79 100 85 93 4.1-5.5 10252/2805=45...(15) HG3 LYS 68 - HA LEU 64 far 15 98 15 - 4.0-6.9 HG12 ILE 8 - HA LEU 64 far 0 84 0 - 7.1-8.5 HB2 LEU 70 - HA LEU 64 far 0 73 0 - 8.0-10.2 QB ALA 89 - HA LEU 64 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2810 from cnoeabs.peaks (7.72, 2.11, 41.70 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.1-2.3 7037/1.8=86, 3.9=78...(25) H ASN 60 - HB2 LEU 64 far 0 98 0 - 4.6-5.9 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 2.9-3.0 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): 2 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 2.5-2.6 3.0=92, 2827/3.0=32...(13) HD2 LYS 82 - HB2 LEU 64 far 0 75 0 - 4.2-5.3 HG2 LYS 66 - HB2 LEU 64 far 0 100 0 - 6.7-9.0 HG3 LYS 66 - HB2 LEU 64 far 0 100 0 - 8.0-9.5 HG LEU 38 - HB2 LEU 64 far 0 75 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (1.48, 2.11, 41.70 ppm; 2.90 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 99 100 100 99 2.5-2.6 3.0=92, 2827/3.0=33...(13) HB3 LEU 64 + HB2 LEU 64 OK 99 99 100 100 1.8-1.8 1.8=100 HD2 LYS 82 - HB2 LEU 64 far 0 91 0 - 4.2-5.3 HG2 LYS 66 - HB2 LEU 64 far 0 99 0 - 6.7-9.0 HG3 LYS 66 - HB2 LEU 64 far 0 98 0 - 8.0-9.5 HG LEU 38 - HB2 LEU 64 far 0 91 0 - 9.0-13.2 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 4 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.0-2.3 3.1=100 QD1 LEU 57 - HB2 LEU 64 far 0 68 0 - 7.8-8.5 QD1 LEU 38 - HB2 LEU 64 far 0 100 0 - 7.9-10.1 HG13 ILE 8 - HB2 LEU 64 far 0 85 0 - 8.5-10.4 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 9 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 3.1-3.2 3.1=100 QG1 VAL 58 + HB2 LEU 64 OK 90 91 100 100 4.0-4.5 2.1/10219=60...(20) QD1 ILE 8 - HB2 LEU 64 far 0 73 0 - 5.9-7.2 QD1 ILE 56 - HB2 LEU 64 far 0 70 0 - 7.2-9.4 HG3 ARG 81 - HB2 LEU 64 far 0 100 0 - 7.8-11.1 QG2 VAL 78 - HB2 LEU 64 far 0 92 0 - 8.7-11.9 HG13 ILE 56 - HB2 LEU 64 far 0 82 0 - 9.0-11.0 QG1 VAL 78 - HB2 LEU 64 far 0 100 0 - 9.5-11.8 QD2 LEU 14 - HB2 LEU 64 far 0 71 0 - 9.6-10.7 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 2.5-2.9 7049=100, 2825/1.8=64...(28) H GLU 69 - HB2 LEU 64 far 0 94 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (7.72, 1.49, 41.70 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.8-3.2 7037=100, 2810/1.8=72...(24) H ASN 60 - HB3 LEU 64 far 0 98 0 - 4.7-5.9 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 8 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 62 - HB3 LEU 64 far 0 87 0 - 7.8-8.8 HG2 GLU 69 - HB3 LEU 64 far 0 97 0 - 8.5-9.4 HB VAL 83 - HB3 LEU 64 far 0 100 0 - 9.1-10.1 HB2 GLU 69 - HB3 LEU 64 far 0 97 0 - 9.4-10.8 HG3 GLU 104 - HB3 LEU 64 far 0 96 0 - 9.7-28.0 HG2 GLU 104 - HB3 LEU 64 far 0 68 0 - 10.0-26.6 HB3 GLU 35 - HB3 LEU 64 far 0 73 0 - 10.0-12.8 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 6 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.4-2.6 3.1=100 QD1 LEU 57 - HB3 LEU 64 far 0 68 0 - 6.4-7.1 QD1 LEU 38 - HB3 LEU 64 far 0 100 0 - 7.1-9.7 HG13 ILE 8 - HB3 LEU 64 far 0 85 0 - 7.5-9.7 QG2 VAL 32 - HB3 LEU 64 far 0 75 0 - 9.6-10.8 HG13 ILE 7 - HB3 LEU 64 far 0 75 0 - 9.9-11.0 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 11 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.1-2.3 3.1=100 QG1 VAL 58 + HB3 LEU 64 OK 90 91 100 100 3.0-3.8 9383=52, 9385/3.0=47...(22) QD1 ILE 8 - HB3 LEU 64 far 0 73 0 - 5.3-6.5 QD1 ILE 56 - HB3 LEU 64 far 0 70 0 - 6.2-8.4 HG3 ARG 81 - HB3 LEU 64 far 0 100 0 - 6.3-9.4 QG2 VAL 78 - HB3 LEU 64 far 0 92 0 - 7.7-11.0 HG13 ILE 56 - HB3 LEU 64 far 0 82 0 - 7.8-9.6 QG1 VAL 78 - HB3 LEU 64 far 0 100 0 - 8.5-11.1 QD2 LEU 14 - HB3 LEU 64 far 0 71 0 - 8.7-9.8 QD1 LEU 6 - HB3 LEU 64 far 0 79 0 - 9.7-10.9 QG1 VAL 5 - HB3 LEU 64 far 0 96 0 - 10.0-10.8 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 3.9-4.1 7049/1.8=95...(27) H GLU 69 - HB3 LEU 64 far 0 94 0 - 7.7-8.5 Violated in 3 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (7.72, 1.48, 27.00 ppm; 3.97 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 64 + HG LEU 64 OK 100 100 100 100 4.0-4.3 7037/3.0=75, 2810/3.0=65...(15) H GLU 37 + HG LEU 38 OK 21 64 40 83 3.6-7.1 6579/5.3=32...(15) H SER 49 - HG13 ILE 52 far 0 63 0 - 5.0-7.2 H ASN 60 - HG LEU 64 far 0 98 0 - 7.1-8.3 H LEU 64 - HG LEU 38 far 0 81 0 - 7.7-11.7 H VAL 78 - HG13 ILE 52 far 0 34 0 - 7.8-9.8 HD22 ASN 51 - HG13 ILE 52 far 0 41 0 - 8.1-9.8 H SER 85 - HG3 ARG 91 far 0 35 0 - 8.6-11.0 H MET 74 - HG LEU 38 far 0 57 0 - 8.8-11.7 H MET 21 - HG3 ARG 91 far 0 31 0 - 9.1-13.3 H ASN 60 - HG LEU 38 far 0 76 0 - 9.8-12.8 Violated in 11 structures by 0.07 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 3.2-3.5 2843/2.1=80, 4.3=69...(25) HA LEU 64 - HG LEU 38 far 0 81 0 - 6.3-10.6 HA ALA 18 - HG3 ARG 91 far 0 38 0 - 8.0-11.6 HA3 GLY 100 - HG13 ILE 52 far 0 37 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (2.11, 1.48, 27.00 ppm; 3.32 A): 1 out of 22 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 GLU 35 - HG LEU 38 far 3 52 5 - 4.1-5.7 HB3 GLU 88 - HG3 ARG 91 far 0 28 0 - 4.4-6.8 HB3 GLU 37 - HG LEU 38 far 0 76 0 - 4.5-7.9 HG3 GLU 37 - HG LEU 38 far 0 80 0 - 4.8-8.3 HG2 GLU 88 - HG3 ARG 91 far 0 35 0 - 5.0-7.4 HG2 GLU 69 - HG LEU 64 far 0 97 0 - 6.1-7.5 HG2 GLU 44 - HG13 ILE 52 far 0 52 0 - 6.5-10.9 QE MET 21 - HG3 ARG 91 far 0 47 0 - 6.6-8.5 HB VAL 83 - HG3 ARG 91 far 0 52 0 - 6.7-9.5 HB2 GLU 69 - HG LEU 38 far 0 75 0 - 7.3-10.8 HB2 GLU 69 - HG LEU 64 far 0 97 0 - 7.5-9.2 HB3 PRO 86 - HG3 ARG 91 far 0 50 0 - 7.8-12.8 HG2 GLU 69 - HG LEU 38 far 0 75 0 - 8.0-12.1 HB3 GLU 62 - HG LEU 64 far 0 87 0 - 8.0-8.9 HB3 GLU 69 - HG LEU 64 far 0 97 0 - 8.8-10.0 HB3 GLU 69 - HG LEU 38 far 0 75 0 - 8.8-12.3 HB2 LEU 64 - HG LEU 38 far 0 81 0 - 9.0-13.2 HG2 GLU 104 - HG3 ARG 91 far 0 28 0 - 9.0-24.5 HB2 PRO 86 - HG3 ARG 91 far 0 51 0 - 9.2-12.7 HG3 GLU 104 - HG LEU 64 far 0 96 0 - 9.2-27.9 HG2 GLU 104 - HG LEU 64 far 0 68 0 - 9.9-26.4 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): 4 out of 19 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 33 55 60 99 2.3-5.9 12039=81, 2.1/12040=62...(18) QG2 VAL 32 + HG LEU 38 OK 28 54 60 87 2.5-4.9 2.1/8944=31...(13) QG2 ILE 76 - HG13 ILE 52 far 8 54 15 - 4.1-6.2 HG13 ILE 8 - HG LEU 38 far 6 62 10 - 4.0-7.0 QD1 LEU 57 - HG3 ARG 91 far 0 28 0 - 5.6-9.4 QD1 LEU 57 - HG LEU 64 far 0 68 0 - 8.2-9.4 QD1 LEU 38 - HG LEU 64 far 0 100 0 - 8.3-10.1 QD1 LEU 57 - HG LEU 38 far 0 47 0 - 8.7-12.6 QG2 ILE 76 - HG LEU 38 far 0 68 0 - 8.8-10.9 QD1 LEU 38 - HG13 ILE 52 far 0 65 0 - 8.9-13.6 QD2 LEU 103 - HG13 ILE 52 far 0 35 0 - 9.1-16.5 QD2 LEU 64 - HG LEU 38 far 0 81 0 - 9.2-12.8 HG13 ILE 8 - HG LEU 64 far 0 85 0 - 9.4-11.6 HG13 ILE 7 - HG LEU 38 far 0 54 0 - 9.8-13.1 QD1 LEU 103 - HG3 ARG 91 far 0 52 0 - 9.8-20.2 QD2 LEU 103 - HG3 ARG 91 far 0 27 0 - 9.9-20.7 QD2 LEU 103 - HG LEU 64 far 0 65 0 - 10.0-20.4 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 39 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 2.0-3.2 3.2=92, 2356/2.1=16...(13) QD1 ILE 8 + HG LEU 38 OK 25 52 75 64 2.4-5.3 8855/3.7=19, 12201=12...(12) QD1 ILE 56 - HG LEU 38 poor 7 49 45 33 3.0-6.8 8855/3.7=9, 12202/3.0=6...(8) HG13 ILE 56 - HG LEU 38 far 3 60 5 - 4.0-8.7 QD1 LEU 6 - HG LEU 38 far 0 57 0 - 4.1-5.2 QG1 VAL 58 - HG LEU 38 far 0 68 0 - 4.7-7.4 QG1 VAL 58 - HG LEU 64 far 0 91 0 - 5.0-5.7 QG2 VAL 78 - HG13 ILE 52 far 0 55 0 - 5.1-9.3 QD2 LEU 42 - HG LEU 38 far 0 62 0 - 5.3-7.1 QG1 VAL 54 - HG13 ILE 52 far 0 55 0 - 5.4-6.4 QD2 LEU 42 - HG13 ILE 52 far 0 49 0 - 5.5-8.1 QG1 VAL 78 - HG13 ILE 52 far 0 65 0 - 5.6-7.7 QG2 VAL 78 - HG LEU 38 far 0 69 0 - 5.7-9.3 QD1 ILE 93 - HG3 ARG 91 far 0 36 0 - 5.8-8.4 QG1 VAL 78 - HG LEU 38 far 0 80 0 - 6.1-8.7 QG1 VAL 54 - HG LEU 38 far 0 69 0 - 6.2-8.6 QD1 ILE 56 - HG LEU 64 far 0 70 0 - 6.7-9.5 QD2 LEU 27 - HG13 ILE 52 far 0 61 0 - 6.8-8.4 QD1 ILE 8 - HG LEU 64 far 0 73 0 - 6.8-8.1 QD1 LEU 6 - HG13 ILE 52 far 0 44 0 - 7.1-9.1 QD1 LEU 64 - HG LEU 38 far 0 81 0 - 7.1-10.9 HG13 ILE 93 - HG3 ARG 91 far 0 52 0 - 7.3-9.8 QG2 VAL 78 - HG LEU 64 far 0 92 0 - 7.6-11.1 HG3 ARG 81 - HG3 ARG 91 far 0 52 0 - 7.6-13.3 QG2 ILE 93 - HG3 ARG 91 far 0 50 0 - 7.6-9.0 QG1 VAL 5 - HG3 ARG 91 far 0 47 0 - 7.9-10.9 QD1 LEU 27 - HG13 ILE 52 far 0 47 0 - 8.0-9.5 HG3 ARG 81 - HG LEU 64 far 0 100 0 - 8.1-10.6 QD1 ILE 56 - HG13 ILE 52 far 0 38 0 - 8.3-10.2 QD2 LEU 14 - HG3 ARG 91 far 0 31 0 - 8.4-11.4 QG1 VAL 5 - HG LEU 38 far 0 74 0 - 8.5-11.5 HG13 ILE 56 - HG LEU 64 far 0 82 0 - 8.5-11.4 QG1 VAL 78 - HG LEU 64 far 0 100 0 - 8.7-10.8 QG1 VAL 5 - HG13 ILE 52 far 0 59 0 - 8.8-10.6 QD1 LEU 27 - HG3 ARG 91 far 0 37 0 - 9.5-11.5 HG13 ILE 56 - HG13 ILE 52 far 0 47 0 - 9.8-12.2 QD2 LEU 42 - HG LEU 64 far 0 85 0 - 9.9-11.4 QD1 ILE 15 - HG LEU 38 far 0 71 0 - 9.9-12.2 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 2.5-3.3 7052/2.1=85, 7049/3.0=84...(20) H GLU 69 - HG LEU 64 far 0 94 0 - 5.8-6.8 H GLU 69 - HG LEU 38 far 0 71 0 - 6.5-10.8 H GLN 72 - HG LEU 38 far 0 76 0 - 7.8-11.5 H ASP 65 - HG LEU 38 far 0 81 0 - 8.0-12.5 H GLN 72 - HG LEU 64 far 0 98 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (7.72, 0.86, 25.46 ppm; 4.48 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 4.0-4.1 4.5=97, 7037/3.1=84...(20) H ASN 60 - QD2 LEU 64 far 5 98 5 - 5.3-6.6 H VAL 78 - QD1 LEU 103 far 2 31 5 - 5.2-15.3 HD22 ASN 51 - QD1 LEU 103 far 0 37 0 - 5.8-15.5 H SER 85 - QD2 LEU 64 far 0 79 0 - 9.1-10.6 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 2 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 100 100 4.0-4.1 4.0=100 HA3 GLY 100 - QD1 LEU 103 far 0 33 0 - 5.4-11.2 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 13 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.0-2.3 3.1=100 HG2 GLU 104 - QD1 LEU 103 far 2 33 5 - 3.2-9.0 HG3 GLU 104 - QD1 LEU 103 far 0 54 0 - 4.7-8.7 HG2 GLU 69 - QD2 LEU 64 far 0 97 0 - 6.8-8.3 HG3 GLU 104 - QD2 LEU 64 far 0 96 0 - 7.3-23.1 HB3 GLU 62 - QD2 LEU 64 far 0 87 0 - 7.4-7.7 HG2 GLU 104 - QD2 LEU 64 far 0 68 0 - 7.5-22.0 HB VAL 83 - QD2 LEU 64 far 0 100 0 - 8.1-9.4 HB2 GLU 69 - QD2 LEU 64 far 0 97 0 - 8.2-9.7 HG2 GLU 88 - QD2 LEU 64 far 0 79 0 - 9.1-12.7 HB3 GLU 88 - QD2 LEU 64 far 0 68 0 - 9.2-11.2 HB3 GLU 69 - QD2 LEU 64 far 0 97 0 - 9.3-10.3 HB2 GLU 75 - QD1 LEU 103 far 0 47 0 - 10.0-19.3 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.49, 0.86, 25.46 ppm; 3.15 A): 3 out of 13 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.4-2.6 3.1=100 HG LEU 64 + QD2 LEU 64 OK 99 99 100 100 2.1-2.1 2.1=100 HB3 LEU 103 + QD1 LEU 103 OK 36 36 100 100 2.1-3.2 3.1=100 HD2 LYS 82 - QD2 LEU 64 far 0 75 0 - 4.1-5.0 HD2 LYS 53 - QD1 LEU 103 far 0 38 0 - 5.2-12.0 HG2 LYS 53 - QD1 LEU 103 far 0 42 0 - 6.1-13.4 HG3 LYS 53 - QD1 LEU 103 far 0 48 0 - 6.1-13.0 HG2 LYS 66 - QD2 LEU 64 far 0 100 0 - 7.5-9.1 HG3 LYS 66 - QD2 LEU 64 far 0 100 0 - 8.7-9.8 HB2 ARG 91 - QD1 LEU 103 far 0 59 0 - 9.1-20.3 HG LEU 38 - QD2 LEU 64 far 0 75 0 - 9.2-12.8 HG LEU 57 - QD2 LEU 64 far 0 99 0 - 9.2-10.2 HG3 ARG 91 - QD1 LEU 103 far 0 30 0 - 9.8-20.2 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (1.48, 0.86, 25.46 ppm; 3.15 A): 2 out of 12 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 2.4-2.6 3.1=100 HD2 LYS 82 - QD2 LEU 64 far 0 91 0 - 4.1-5.0 HD2 LYS 53 - QD1 LEU 103 far 0 49 0 - 5.2-12.0 HG2 LYS 53 - QD1 LEU 103 far 0 52 0 - 6.1-13.4 HG3 LYS 53 - QD1 LEU 103 far 0 56 0 - 6.1-13.0 HG2 LYS 66 - QD2 LEU 64 far 0 99 0 - 7.5-9.1 HG3 LYS 66 - QD2 LEU 64 far 0 98 0 - 8.7-9.8 HB2 ARG 91 - QD1 LEU 103 far 0 59 0 - 9.1-20.3 HG LEU 38 - QD2 LEU 64 far 0 91 0 - 9.2-12.8 HG LEU 57 - QD2 LEU 64 far 0 91 0 - 9.2-10.2 HG3 ARG 91 - QD1 LEU 103 far 0 41 0 - 9.8-20.2 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 27 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 58 - QD2 LEU 64 far 0 91 0 - 4.7-5.2 HG3 ARG 81 - QD2 LEU 64 far 0 100 0 - 5.5-8.2 QG2 VAL 78 - QD1 LEU 103 far 0 50 0 - 5.6-14.5 QG1 VAL 78 - QD1 LEU 103 far 0 59 0 - 6.1-14.8 HG3 ARG 81 - QD1 LEU 103 far 0 60 0 - 6.3-14.9 QD1 ILE 56 - QD2 LEU 64 far 0 70 0 - 6.5-8.8 QD1 ILE 8 - QD2 LEU 64 far 0 73 0 - 6.5-7.5 QG2 VAL 78 - QD2 LEU 64 far 0 92 0 - 7.2-10.2 QG2 ILE 52 - QD1 LEU 103 far 0 31 0 - 7.5-14.4 QD1 ILE 56 - QD1 LEU 103 far 0 34 0 - 7.5-16.7 QD1 LEU 64 - QD1 LEU 103 far 0 60 0 - 7.7-16.1 QG1 VAL 54 - QD1 LEU 103 far 0 50 0 - 7.9-16.1 QG1 VAL 78 - QD2 LEU 64 far 0 100 0 - 8.2-10.0 QD2 LEU 42 - QD1 LEU 103 far 0 45 0 - 8.2-16.9 HG13 ILE 56 - QD2 LEU 64 far 0 82 0 - 8.2-10.0 QD2 LEU 14 - QD2 LEU 64 far 0 71 0 - 8.7-9.7 QD1 LEU 27 - QD1 LEU 103 far 0 42 0 - 8.7-13.8 QG1 VAL 5 - QD1 LEU 103 far 0 54 0 - 8.9-15.6 QD2 LEU 27 - QD1 LEU 103 far 0 56 0 - 9.1-14.5 QG2 ILE 93 - QD1 LEU 103 far 0 58 0 - 9.3-15.2 QD2 LEU 42 - QD2 LEU 64 far 0 85 0 - 9.7-10.8 QG1 VAL 5 - QD2 LEU 64 far 0 96 0 - 9.7-10.6 QG1 VAL 54 - QD2 LEU 64 far 0 92 0 - 9.8-10.9 HG13 ILE 56 - QD1 LEU 103 far 0 42 0 - 9.8-20.4 QD1 LEU 6 - QD2 LEU 64 far 0 79 0 - 9.9-10.7 QD1 LEU 6 - QD1 LEU 103 far 0 40 0 - 10.0-18.7 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 4 assignments used, quality = 1.00: * H ASP 65 + QD2 LEU 64 OK 100 100 100 100 3.7-3.9 7052=100, 7049/3.1=73...(21) H GLU 69 - QD2 LEU 64 far 0 94 0 - 6.8-7.6 H GLN 72 - QD1 LEU 103 far 0 56 0 - 9.6-20.5 H GLN 72 - QD2 LEU 64 far 0 98 0 - 9.6-10.3 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 4.3-4.4 4.5=91, 7037/3.1=82...(20) H ASN 60 - QD1 LEU 64 far 0 98 0 - 6.2-7.3 H VAL 78 - QD1 LEU 64 far 0 63 0 - 8.1-9.9 H SER 85 - QD1 LEU 64 far 0 79 0 - 10.0-11.1 Violated in 0 structures by 0.00 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 2.4-2.7 4.0=57, 2827/2.1=54...(32) Violated in 0 structures by 0.00 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 3.1-3.2 3.1=100 HG2 GLU 69 - QD1 LEU 64 far 0 97 0 - 5.7-6.9 HG3 GLU 104 - QD1 LEU 64 far 0 96 0 - 6.0-21.5 HG2 GLU 104 - QD1 LEU 64 far 0 68 0 - 6.5-20.3 HB2 GLU 69 - QD1 LEU 64 far 0 97 0 - 7.0-7.9 HB3 GLU 69 - QD1 LEU 64 far 0 97 0 - 8.0-8.8 HB3 GLU 62 - QD1 LEU 64 far 0 87 0 - 8.2-9.0 HB VAL 83 - QD1 LEU 64 far 0 100 0 - 8.5-9.6 HB3 GLU 35 - QD1 LEU 64 far 0 73 0 - 9.3-11.3 HB3 GLU 88 - QD1 LEU 64 far 0 68 0 - 9.4-11.4 HG2 GLU 88 - QD1 LEU 64 far 0 79 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.49, 0.74, 24.36 ppm; 2.99 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 99 100 100 99 2.1-2.3 3.1=87, 3.0/2843=42...(21) HG LEU 64 + QD1 LEU 64 OK 99 99 100 100 2.1-2.1 2.1=100 HD2 LYS 82 - QD1 LEU 64 far 0 75 0 - 5.8-6.7 HG2 LYS 66 - QD1 LEU 64 far 0 100 0 - 7.0-8.4 HG LEU 38 - QD1 LEU 64 far 0 75 0 - 7.1-10.9 HG LEU 57 - QD1 LEU 64 far 0 99 0 - 8.0-9.0 HG3 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.1-9.0 HB2 LEU 38 - QD1 LEU 64 far 0 68 0 - 8.3-10.0 HG LEU 6 - QD1 LEU 64 far 0 68 0 - 9.8-11.2 HG2 LYS 73 - QD1 LEU 64 far 0 100 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (1.48, 0.74, 24.36 ppm; 2.99 A): 2 out of 9 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 2.1-2.3 3.1=87, 3.0/2843=42...(21) HD2 LYS 82 - QD1 LEU 64 far 0 91 0 - 5.8-6.7 HG2 LYS 66 - QD1 LEU 64 far 0 99 0 - 7.0-8.4 HG LEU 38 - QD1 LEU 64 far 0 91 0 - 7.1-10.9 HG LEU 57 - QD1 LEU 64 far 0 91 0 - 8.0-9.0 HG3 LYS 66 - QD1 LEU 64 far 0 98 0 - 8.1-9.0 HB2 LEU 38 - QD1 LEU 64 far 0 85 0 - 8.3-10.0 HG2 LYS 73 - QD1 LEU 64 far 0 98 0 - 10.0-12.4 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 9 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 57 - QD1 LEU 64 far 0 68 0 - 5.2-6.4 QD1 LEU 38 - QD1 LEU 64 far 0 100 0 - 6.3-8.0 HG13 ILE 8 - QD1 LEU 64 far 0 85 0 - 7.1-9.2 QD2 LEU 103 - QD1 LEU 64 far 0 65 0 - 7.1-15.5 QD1 LEU 103 - QD1 LEU 64 far 0 100 0 - 7.7-16.1 QG2 VAL 32 - QD1 LEU 64 far 0 75 0 - 8.5-9.4 HG13 ILE 7 - QD1 LEU 64 far 0 75 0 - 9.6-10.6 QG2 ILE 76 - QD1 LEU 64 far 0 91 0 - 9.6-11.3 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 3.7-4.4 4.9=100 H GLU 69 + QD1 LEU 64 OK 93 94 100 99 5.1-5.8 7118/9504=60...(15) H GLN 72 - QD1 LEU 64 far 0 98 0 - 7.5-8.2 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 2.8-2.8 3.0=100 H GLU 69 + HA ASP 65 OK 79 94 90 93 3.6-4.5 7118=41, 7115/7100=40...(16) H GLN 72 - HA ASP 65 far 0 98 0 - 7.9-8.6 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 HB3 ASP 61 - HA ASP 65 far 0 94 0 - 6.5-8.9 HE2 LYS 82 - HA ASP 65 far 0 87 0 - 7.2-11.1 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 2.7-3.0 3.0=100 HB3 TYR 41 - HA ASP 36 far 0 48 0 - 8.0-10.6 HG3 MET 74 - HA ASP 36 far 0 41 0 - 9.0-10.4 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 3.5-3.6 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 - 9.3-10.1 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 3 assignments used, quality = 1.00: * H LYS 68 + HA ASP 65 OK 100 100 100 100 3.3-3.7 7100=93, 7115/7118=47...(21) H ASP 36 + HA ASP 36 OK 48 48 100 100 2.8-2.9 3.0=100 H GLU 43 - HA ASP 36 far 0 47 0 - 8.3-9.0 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 6 assignments used, quality = 0.74: HB3 LYS 68 + HA ASP 65 OK 63 71 90 97 2.4-4.7 1.8/2997=39, 4.0/7100=35...(23) * HB2 LYS 68 + HA ASP 65 OK 29 100 30 98 3.1-4.7 2997=45, 2998/7100=41...(21) HB3 LYS 39 - HA ASP 36 poor 19 36 60 88 2.9-5.0 1.8/10560=42...(11) HB3 LYS 66 - HA ASP 65 far 0 88 0 - 5.6-6.0 HB2 LEU 42 - HA ASP 36 far 0 30 0 - 7.5-8.5 HB3 LYS 66 - HA ASP 36 far 0 37 0 - 8.5-11.6 Violated in 13 structures by 0.12 A. Peak 2857 from cnoeabs.peaks (1.87, 4.31, 57.27 ppm; 3.48 A): 3 out of 7 assignments used, quality = 0.93: * HB3 LYS 68 + HA ASP 65 OK 89 100 90 98 2.4-4.7 3009=49, 3010/7100=40...(24) HB3 LYS 39 + HA ASP 36 OK 27 46 65 91 2.9-5.0 1.8/10560=42, 3009=33...(11) HB2 LYS 68 + HA ASP 65 OK 21 71 30 97 3.1-4.7 1.8/3009=39, 4.0/7100=36...(21) HB3 LYS 66 - HA ASP 65 far 0 99 0 - 5.6-6.0 HG LEU 42 - HA ASP 36 far 0 35 0 - 8.2-9.2 HB3 LYS 66 - HA ASP 36 far 0 46 0 - 8.5-11.6 HB2 GLU 43 - HA ASP 36 far 0 26 0 - 9.7-10.9 Violated in 5 structures by 0.01 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 2.7-4.0 2732=82, 2864/1.8=79...(8) HA GLU 62 + HB3 ASP 61 OK 22 76 30 94 3.9-5.6 3.0/7004=58...(9) HB2 SER 59 - HB3 ASP 61 far 0 41 0 - 8.5-10.4 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 3 assignments used, quality = 1.00: * H ASP 65 + HB2 ASP 65 OK 100 100 100 100 2.1-3.0 7055=100, 7056/1.8=80...(15) H ASP 65 - HB3 ASP 61 far 0 76 0 - 4.9-6.7 H GLU 69 - HB2 ASP 65 far 0 94 0 - 5.4-6.7 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 - 6.5-8.9 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 - 4.8-8.5 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 2.8-3.4 7066=100, 7067/1.8=83...(13) H LYS 66 - HB3 ASP 61 far 0 76 0 - 6.8-9.0 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 3.1-3.8 2733=68, 7060/7067=60...(9) HA GLN 72 - HB3 ASP 77 far 0 69 0 - 6.9-9.0 HA GLU 104 - HB3 ASP 77 far 0 99 0 - 9.7-18.9 Violated in 0 structures by 0.00 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 2.2-3.2 7056=100, 7055/1.8=81...(15) H GLU 69 - HB3 ASP 65 far 0 94 0 - 4.9-6.2 H GLN 72 - HB3 ASP 77 far 0 96 0 - 9.0-10.6 H GLN 72 - HB3 ASP 65 far 0 98 0 - 9.4-10.9 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 2.7-3.0 3.0=100 HA LEU 103 - HB3 ASP 77 far 0 96 0 - 5.2-16.0 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 - 4.8-8.5 HE2 LYS 82 - HB3 ASP 65 far 0 87 0 - 7.7-11.8 HB3 ASN 51 - HB3 ASP 77 far 0 57 0 - 7.8-10.1 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 2.1-3.5 7067=100, 7066/1.8=81...(16) Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (7.80, 4.08, 58.43 ppm; 3.36 A): 3 out of 5 assignments used, quality = 1.00: * H LYS 66 + HA LYS 66 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 20 + HA GLU 17 OK 44 56 100 78 3.7-4.2 6296/3.6=27, 8526/5.0=19...(13) H ASN 26 + HA LYS 24 OK 23 34 100 66 3.7-3.9 6409/3.6=29, 8606/3.0=20...(7) H LYS 73 - HA LYS 66 far 0 59 0 - 7.7-8.6 H LYS 20 - HA LYS 24 far 0 65 0 - 8.4-9.4 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 2.2-3.8 4.1=50, 3.0/2105=33...(30) HG3 ARG 19 - HA GLU 17 far 0 58 0 - 4.9-6.9 HD2 LYS 90 - HA GLU 17 far 0 42 0 - 5.4-7.0 HB ILE 15 - HA GLU 17 far 0 30 0 - 7.5-7.9 HB3 GLU 63 - HA LYS 66 far 0 98 0 - 7.8-8.4 HB ILE 93 - HA GLU 17 far 0 30 0 - 7.8-9.8 HB2 LYS 39 - HA LYS 66 far 0 73 0 - 8.2-10.8 HB VAL 78 - HA ARG 46 far 0 81 0 - 8.4-10.8 HB ILE 93 - HA LYS 24 far 0 36 0 - 8.7-10.1 HB ILE 56 - HA LYS 66 far 0 100 0 - 9.2-9.9 HG3 ARG 19 - HA LYS 24 far 0 67 0 - 9.6-13.0 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 16 assignments used, quality = 1.00: * HB3 LYS 66 + HA LYS 66 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 ARG 46 + HA ARG 46 OK 50 50 100 99 2.3-3.8 4.1=48, 1.8/2096=46...(29) HB3 LYS 90 - HA GLU 17 far 6 42 15 - 3.9-7.7 HB2 LYS 20 - HA GLU 17 far 2 41 5 - 2.7-5.5 HB3 LYS 68 - HA LYS 66 far 0 99 0 - 5.1-7.0 HB2 LYS 68 - HA LYS 66 far 0 88 0 - 5.4-7.3 HB2 ARG 19 - HA GLU 17 far 0 37 0 - 5.9-7.5 HB2 LYS 20 - HA LYS 24 far 0 47 0 - 6.3-9.0 HB VAL 54 - HA ARG 46 far 0 69 0 - 7.7-10.4 HG LEU 42 - HA ARG 46 far 0 52 0 - 8.1-9.2 HB2 LYS 12 - HA GLU 17 far 0 59 0 - 8.5-9.9 HB3 LYS 39 - HA LYS 66 far 0 100 0 - 9.0-11.6 HB2 ARG 19 - HA LYS 24 far 0 44 0 - 9.6-12.2 HG LEU 42 - HA LYS 66 far 0 68 0 - 9.7-11.7 HB3 LYS 12 - HA GLU 17 far 0 58 0 - 9.7-11.0 HB ILE 8 - HA LYS 66 far 0 70 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.26 A): 3 out of 23 assignments used, quality = 1.00: * HG2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.1-3.4 3.7=67, 2.9/2942=47...(32) HG3 LYS 66 + HA LYS 66 OK 100 100 100 100 3.3-3.8 3.7=67, 2.9/2942=47...(30) HG3 LYS 24 + HA LYS 24 OK 59 60 100 99 2.0-3.9 3.7=70, 6386/3.0=35...(41) HG2 LYS 20 - HA GLU 17 poor 8 34 25 - 2.6-6.0 HG2 LYS 47 - HA ARG 46 far 0 87 0 - 5.1-7.0 HG13 ILE 52 - HA ARG 46 far 0 54 0 - 6.1-7.6 HG LEU 38 - HA LYS 66 far 0 73 0 - 6.2-9.9 HB2 LEU 38 - HA LYS 66 far 0 65 0 - 6.6-10.3 HG2 LYS 73 - HA LYS 66 far 0 100 0 - 6.6-9.7 HG LEU 64 - HA LYS 66 far 0 99 0 - 6.9-7.3 HG3 LYS 13 - HA GLU 17 far 0 58 0 - 7.3-9.9 HG2 LYS 20 - HA LYS 24 far 0 40 0 - 7.4-9.9 HG3 LYS 24 - HA GLU 17 far 0 52 0 - 7.7-11.3 HB2 LEU 27 - HA LYS 24 far 0 40 0 - 7.7-8.5 HB2 LEU 14 - HA GLU 17 far 0 37 0 - 7.9-8.5 HG LEU 2 - HA ARG 46 far 0 69 0 - 8.2-10.1 HB3 LEU 64 - HA LYS 66 far 0 100 0 - 8.2-8.6 HG2 LYS 53 - HA ARG 46 far 0 64 0 - 9.0-11.4 HG3 ARG 91 - HA GLU 17 far 0 28 0 - 9.1-14.7 HB2 ARG 91 - HA GLU 17 far 0 58 0 - 9.3-12.7 HB ILE 7 - HA GLU 17 far 0 37 0 - 9.3-10.1 HG LEU 57 - HA GLU 17 far 0 56 0 - 9.7-11.6 HG12 ILE 56 - HA LYS 66 far 0 57 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.26 A): 3 out of 22 assignments used, quality = 1.00: HG2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.1-3.4 3.7=67, 2.9/2942=47...(31) * HG3 LYS 66 + HA LYS 66 OK 100 100 100 100 3.3-3.8 3.7=67, 2.9/2942=47...(30) HG3 LYS 24 + HA LYS 24 OK 61 61 100 99 2.0-3.9 3.7=70, 6386/3.0=36...(41) HG2 LYS 20 - HA GLU 17 poor 8 32 25 - 2.6-6.0 HG2 LYS 47 - HA ARG 46 far 0 87 0 - 5.1-7.0 HG13 ILE 52 - HA ARG 46 far 0 50 0 - 6.1-7.6 HG LEU 38 - HA LYS 66 far 0 70 0 - 6.2-9.9 HB2 LEU 38 - HA LYS 66 far 0 61 0 - 6.6-10.3 HG2 LYS 73 - HA LYS 66 far 0 100 0 - 6.6-9.7 HG LEU 64 - HA LYS 66 far 0 98 0 - 6.9-7.3 HG3 LYS 13 - HA GLU 17 far 0 58 0 - 7.3-9.9 HG2 LYS 20 - HA LYS 24 far 0 37 0 - 7.4-9.9 HG3 LYS 24 - HA GLU 17 far 0 53 0 - 7.7-11.3 HB2 LEU 27 - HA LYS 24 far 0 37 0 - 7.7-8.5 HB2 LEU 14 - HA GLU 17 far 0 40 0 - 7.9-8.5 HG LEU 2 - HA ARG 46 far 0 72 0 - 8.2-10.1 HB3 LEU 64 - HA LYS 66 far 0 100 0 - 8.2-8.6 HG2 LYS 53 - HA ARG 46 far 0 60 0 - 9.0-11.4 HB2 ARG 91 - HA GLU 17 far 0 58 0 - 9.3-12.7 HB ILE 7 - HA GLU 17 far 0 40 0 - 9.3-10.1 HG LEU 57 - HA GLU 17 far 0 57 0 - 9.7-11.6 HG12 ILE 56 - HA LYS 66 far 0 61 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.60, 4.08, 58.43 ppm; 3.80 A): 2 out of 14 assignments used, quality = 1.00: * HD2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.9-4.5 1.8/2942=81, 2931=47...(47) HG2 LYS 24 + HA LYS 24 OK 61 61 100 100 3.2-3.9 3.7=100 HG3 LYS 90 - HA GLU 17 poor 18 52 45 77 4.1-6.4 12027/2.9=33...(8) HG3 LYS 47 - HA ARG 46 far 0 73 0 - 4.9-6.7 HG2 ARG 19 - HA GLU 17 far 0 52 0 - 5.1-8.1 HG3 LYS 73 - HA LYS 66 far 0 100 0 - 7.0-8.8 HG LEU 27 - HA LYS 24 far 0 67 0 - 7.2-7.8 HG2 LYS 24 - HA GLU 17 far 0 53 0 - 8.2-10.9 HD3 LYS 94 - HA LYS 24 far 0 67 0 - 8.4-12.7 HG2 ARG 19 - HA LYS 24 far 0 60 0 - 8.7-12.3 HB3 LEU 29 - HA GLU 17 far 0 58 0 - 9.0-10.0 HD2 LYS 94 - HA LYS 24 far 0 53 0 - 9.1-11.9 HD3 LYS 94 - HA GLU 17 far 0 59 0 - 9.1-11.9 HB3 LEU 29 - HA LYS 24 far 0 67 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (1.70, 4.08, 58.43 ppm; 3.27 A): 4 out of 28 assignments used, quality = 1.00: * HD3 LYS 66 + HA LYS 66 OK 100 100 100 100 1.8-3.7 2942=79, 2943/3.0=46...(48) HD3 LYS 24 + HA LYS 24 OK 66 67 100 99 2.1-4.1 3.0/1096=40, 1118=32...(75) HG LEU 70 + HA LYS 66 OK 66 100 80 82 3.2-4.8 3150/7139=25...(15) HD2 LYS 24 + HA LYS 24 OK 63 67 95 99 2.0-4.6 3.0/1096=40, 1118=31...(71) HD2 LYS 20 - HA GLU 17 poor 16 45 65 56 2.0-5.6 3.5/870=9, 2.8/894=9...(20) HG3 LYS 20 - HA GLU 17 poor 15 42 35 - 2.5-5.8 HD3 LYS 20 - HA GLU 17 poor 14 42 60 56 2.0-6.2 3.5/870=9, 2.8/894=9...(20) HD3 LYS 90 - HA GLU 17 far 6 58 10 - 4.1-8.0 HB3 LEU 70 - HA LYS 66 far 0 97 0 - 4.6-7.3 HD2 LYS 90 - HA GLU 17 far 0 29 0 - 5.4-7.0 HB ILE 52 - HA ARG 46 far 0 59 0 - 5.4-6.9 HD3 LYS 73 - HA LYS 66 far 0 65 0 - 5.7-10.2 HD2 LYS 13 - HA GLU 17 far 0 59 0 - 5.9-9.8 HD2 LYS 73 - HA LYS 66 far 0 70 0 - 6.1-10.6 HD2 LYS 47 - HA ARG 46 far 0 73 0 - 6.4-8.0 HD3 LYS 13 - HA GLU 17 far 0 59 0 - 6.5-10.2 HD3 LYS 47 - HA ARG 46 far 0 75 0 - 6.5-7.9 HG2 PRO 86 - HA GLU 17 far 0 57 0 - 6.9-8.9 HG3 LYS 20 - HA LYS 24 far 0 49 0 - 7.5-9.9 HB ILE 15 - HA GLU 17 far 0 41 0 - 7.5-7.9 HD3 LYS 20 - HA LYS 24 far 0 49 0 - 7.8-11.3 HD3 LYS 24 - HA GLU 17 far 0 58 0 - 7.9-11.7 HD2 LYS 20 - HA LYS 24 far 0 52 0 - 8.4-11.6 HD2 LYS 24 - HA GLU 17 far 0 58 0 - 8.9-12.0 HD2 LYS 12 - HA GLU 17 far 0 59 0 - 9.1-13.2 HD3 LYS 12 - HA GLU 17 far 0 59 0 - 9.3-13.2 HG12 ILE 15 - HA GLU 17 far 0 57 0 - 9.4-9.9 HB3 ARG 91 - HA GLU 17 far 0 50 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 4.13 A): 3 out of 15 assignments used, quality = 1.00: * HE2 LYS 66 + HA LYS 66 OK 100 100 100 100 3.3-4.8 2.9/2942=72, 2.9/2876=38...(52) HE3 LYS 66 + HA LYS 66 OK 100 100 100 100 2.2-4.8 2.9/2942=72, 2.9/2876=38...(50) HE2 LYS 20 + HA GLU 17 OK 23 52 70 63 2.0-7.1 3.6/894=12, 927=11...(18) HE3 LYS 20 - HA GLU 17 poor 19 51 60 63 2.3-7.0 3.6/894=12, 1.8/938=11...(18) HE2 LYS 68 - HA LYS 66 far 0 96 0 - 5.6-10.0 HE2 LYS 94 - HA LYS 24 far 0 51 0 - 6.4-13.3 HE3 LYS 68 - HA LYS 66 far 0 98 0 - 6.5-10.0 HE2 LYS 39 - HA LYS 66 far 0 87 0 - 7.2-12.8 HE3 LYS 94 - HA LYS 24 far 0 60 0 - 7.5-13.5 HE3 LYS 20 - HA LYS 24 far 0 59 0 - 7.7-12.0 HE3 LYS 39 - HA LYS 66 far 0 94 0 - 7.7-12.4 HE2 LYS 20 - HA LYS 24 far 0 60 0 - 7.9-12.2 HE2 LYS 94 - HA GLU 17 far 0 44 0 - 9.7-14.2 HB2 ASN 60 - HA LYS 66 far 0 100 0 - 9.7-10.9 HE3 LYS 94 - HA GLU 17 far 0 52 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 3.89 A): 3 out of 18 assignments used, quality = 1.00: * HE3 LYS 66 + HA LYS 66 OK 100 100 100 100 2.2-4.8 2.9/2942=65, 2.9/2876=34...(50) HE2 LYS 66 + HA LYS 66 OK 100 100 100 100 3.3-4.8 2.9/2942=65, 2.9/2876=34...(52) HE2 LYS 20 + HA GLU 17 OK 22 56 65 60 2.0-7.1 938=12, 3.6/894=11...(18) HE3 LYS 20 - HA GLU 17 poor 15 55 45 59 2.3-7.0 3.6/894=11, 1.8/938=10...(18) HE3 LYS 90 - HA GLU 17 poor 13 33 40 - 3.4-8.1 HG2 MET 21 - HA GLU 17 far 1 28 5 - 4.7-8.5 HE2 LYS 68 - HA LYS 66 far 0 99 0 - 5.6-10.0 HE2 LYS 94 - HA LYS 24 far 0 58 0 - 6.4-13.3 HE3 LYS 68 - HA LYS 66 far 0 100 0 - 6.5-10.0 HE2 LYS 39 - HA LYS 66 far 0 77 0 - 7.2-12.8 HE3 LYS 94 - HA LYS 24 far 0 65 0 - 7.5-13.5 HG2 MET 21 - HA LYS 24 far 0 33 0 - 7.5-9.2 HE3 LYS 20 - HA LYS 24 far 0 64 0 - 7.7-12.0 HE3 LYS 39 - HA LYS 66 far 0 87 0 - 7.7-12.4 HE2 LYS 20 - HA LYS 24 far 0 64 0 - 7.9-12.2 HE2 LYS 94 - HA GLU 17 far 0 50 0 - 9.7-14.2 HB2 ASN 60 - HA LYS 66 far 0 99 0 - 9.7-10.9 HE3 LYS 94 - HA GLU 17 far 0 56 0 - 9.9-13.6 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 4 assignments used, quality = 1.00: * H ALA 67 + HA LYS 66 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 54 - HA ARG 46 far 0 84 0 - 7.5-10.8 H LYS 53 - HA ARG 46 far 0 82 0 - 8.1-9.9 H LEU 29 - HA LYS 24 far 0 46 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2881 from cnoeabs.peaks (7.90, 4.08, 58.43 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA LYS 66 OK 100 100 100 100 3.5-3.6 7119=100, 7137/7139=41...(13) H ASP 65 - HA LYS 66 far 0 94 0 - 5.2-5.5 H GLN 72 - HA LYS 66 far 0 100 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (2.13, 4.08, 58.43 ppm; 3.21 A): 2 out of 15 assignments used, quality = 0.96: * HB2 GLU 69 + HA LYS 66 OK 90 100 100 90 2.6-3.5 3102=66, 4.0/2881=31...(13) HG2 GLU 69 + HA LYS 66 OK 65 100 75 86 2.3-4.3 3110/2881=37...(12) HB3 GLU 23 - HA LYS 24 far 2 49 5 - 4.1-4.7 HB3 GLU 16 - HA GLU 17 far 0 28 0 - 4.1-5.6 HB3 GLU 69 - HA LYS 66 far 0 100 0 - 4.1-4.8 QE MET 21 - HA LYS 24 far 0 47 0 - 4.6-5.5 HB3 PRO 86 - HA GLU 17 far 0 47 0 - 4.8-6.9 HB2 PRO 86 - HA GLU 17 far 0 58 0 - 5.4-7.5 QE MET 21 - HA GLU 17 far 0 41 0 - 6.5-7.8 HB3 GLU 62 - HA LYS 66 far 0 61 0 - 7.0-9.0 HG2 GLU 44 - HA ARG 46 far 0 85 0 - 7.1-9.0 HB2 GLU 75 - HA ARG 46 far 0 84 0 - 7.3-9.1 HB2 LEU 64 - HA LYS 66 far 0 97 0 - 7.6-8.0 HB3 GLU 23 - HA GLU 17 far 0 42 0 - 8.1-9.1 HB2 GLN 72 - HA LYS 66 far 0 63 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (2.13, 4.08, 58.43 ppm; 3.21 A): 2 out of 15 assignments used, quality = 0.96: HB2 GLU 69 + HA LYS 66 OK 90 100 100 90 2.6-3.5 3102=66, 4.0/2881=31...(13) HG2 GLU 69 + HA LYS 66 OK 65 100 75 86 2.3-4.3 3110/2881=37...(12) HB3 GLU 23 - HA LYS 24 far 2 49 5 - 4.1-4.7 HB3 GLU 16 - HA GLU 17 far 0 28 0 - 4.1-5.6 ! HB3 GLU 69 - HA LYS 66 far 0 100 0 - 4.1-4.8 QE MET 21 - HA LYS 24 far 0 47 0 - 4.6-5.5 HB3 PRO 86 - HA GLU 17 far 0 47 0 - 4.8-6.9 HB2 PRO 86 - HA GLU 17 far 0 58 0 - 5.4-7.5 QE MET 21 - HA GLU 17 far 0 41 0 - 6.5-7.8 HB3 GLU 62 - HA LYS 66 far 0 61 0 - 7.0-9.0 HG2 GLU 44 - HA ARG 46 far 0 85 0 - 7.1-9.0 HB2 GLU 75 - HA ARG 46 far 0 84 0 - 7.3-9.1 HB2 LEU 64 - HA LYS 66 far 0 97 0 - 7.6-8.0 HB3 GLU 23 - HA GLU 17 far 0 42 0 - 8.1-9.1 HB2 GLN 72 - HA LYS 66 far 0 63 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 2884 from cnoeabs.peaks (3.91, 1.77, 31.73 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.99: * HA GLU 63 + HB2 LYS 66 OK 99 100 100 99 4.0-4.9 2771/1.8=85...(12) HA GLU 35 + HB2 LYS 66 OK 25 82 50 61 3.7-6.7 ~10434=14, ~12158=10...(14) HA LEU 38 - HB2 LYS 66 far 0 57 0 - 7.9-10.5 Violated in 14 structures by 0.09 A. Peak 2885 from cnoeabs.peaks (7.80, 1.77, 31.73 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + HB2 LYS 66 OK 100 100 100 100 3.4-3.6 7069=100, 7070/1.8=84...(20) H LYS 73 - HB2 LYS 66 far 0 59 0 - 9.0-9.9 Violated in 18 structures by 0.09 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 - 7.0-8.9 HB2 LYS 68 - HB2 LYS 66 far 0 88 0 - 7.3-9.1 HB3 LYS 39 - HB2 LYS 66 far 0 100 0 - 7.8-10.6 HB ILE 8 - HB2 LYS 66 far 0 70 0 - 8.2-9.3 HG LEU 42 - HB2 LYS 66 far 0 68 0 - 9.2-10.9 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 8 assignments used, quality = 1.00: * HG2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 38 - HB2 LYS 66 far 0 73 0 - 4.8-7.9 HB2 LEU 38 - HB2 LYS 66 far 0 65 0 - 5.2-8.6 HG LEU 64 - HB2 LYS 66 far 0 99 0 - 7.9-8.5 HG2 LYS 73 - HB2 LYS 66 far 0 100 0 - 8.1-10.7 HB3 LEU 64 - HB2 LYS 66 far 0 100 0 - 8.2-9.2 HG12 ILE 56 - HB2 LYS 66 far 0 57 0 - 9.0-11.0 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 8 assignments used, quality = 1.00: * HG3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 38 - HB2 LYS 66 far 0 70 0 - 4.8-7.9 HB2 LEU 38 - HB2 LYS 66 far 0 61 0 - 5.2-8.6 HG LEU 64 - HB2 LYS 66 far 0 98 0 - 7.9-8.5 HG2 LYS 73 - HB2 LYS 66 far 0 100 0 - 8.1-10.7 HB3 LEU 64 - HB2 LYS 66 far 0 100 0 - 8.2-9.2 HG12 ILE 56 - HB2 LYS 66 far 0 61 0 - 9.0-11.0 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 2 assignments used, quality = 1.00: * HD2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.6-3.8 3.6=100 HG3 LYS 73 - HB2 LYS 66 far 0 100 0 - 8.2-10.5 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 2.2-3.5 2943=94, 2942/3.0=52...(46) HG LEU 70 + HB2 LYS 66 OK 67 100 85 79 3.2-4.4 ~9517=27, ~9516=20...(12) HB3 LEU 70 - HB2 LYS 66 far 0 97 0 - 4.6-7.1 HD2 LYS 73 - HB2 LYS 66 far 0 70 0 - 7.0-12.0 HD3 LYS 73 - HB2 LYS 66 far 0 65 0 - 7.0-11.3 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 2.3-4.8 4.7=81, 2.9/2943=79...(52) HE3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.5-5.3 4.7=81, 2.9/2943=79...(51) HE2 LYS 39 - HB2 LYS 66 far 0 87 0 - 6.2-11.5 HE3 LYS 39 - HB2 LYS 66 far 0 94 0 - 6.4-11.4 HE2 LYS 68 - HB2 LYS 66 far 0 96 0 - 7.9-11.7 HE3 LYS 68 - HB2 LYS 66 far 0 98 0 - 8.3-11.9 HB2 ASN 60 - HB2 LYS 66 far 0 100 0 - 8.6-10.3 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: HE2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.3-4.8 4.7=79, 2.9/2943=78...(52) * HE3 LYS 66 + HB2 LYS 66 OK 95 100 95 100 2.5-5.3 4.7=79, 2.9/2943=78...(51) HE2 LYS 39 - HB2 LYS 66 far 0 77 0 - 6.2-11.5 HE3 LYS 39 - HB2 LYS 66 far 0 87 0 - 6.4-11.4 HE2 LYS 68 - HB2 LYS 66 far 0 99 0 - 7.9-11.7 HE3 LYS 68 - HB2 LYS 66 far 0 100 0 - 8.3-11.9 HB2 ASN 60 - HB2 LYS 66 far 0 99 0 - 8.6-10.3 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 1 assignment used, quality = 1.00: * H ALA 67 + HB2 LYS 66 OK 100 100 100 100 3.2-3.8 7086=100, 7087/1.8=79...(19) Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (3.91, 1.86, 31.73 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 63 + HB3 LYS 66 OK 100 100 100 100 2.6-3.3 2771=100, 7061/7070=63...(12) HA ARG 91 + HB3 LYS 90 OK 21 25 85 96 4.1-5.6 3.0/7434=29, 9956/3.0=28...(18) HA GLU 35 - HB3 LYS 66 far 12 82 15 - 4.5-7.4 HA ALA 89 - HB3 LYS 90 far 0 33 0 - 5.9-6.6 HA LEU 38 - HB3 LYS 66 far 0 57 0 - 8.0-11.3 HB2 SER 85 - HB3 LYS 90 far 0 34 0 - 9.2-10.9 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 2.1-2.7 7070=100, 7069/1.8=77...(20) H LYS 20 - HB3 LYS 90 far 0 34 0 - 5.8-9.9 H LYS 73 - HB3 LYS 66 far 0 59 0 - 10.0-10.9 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 5 assignments used, quality = 1.00: * HA LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLU 17 - HB3 LYS 90 poor 5 26 20 - 3.9-7.7 HA PRO 86 - HB3 LYS 90 far 0 33 0 - 5.1-8.1 HA GLU 16 - HB3 LYS 90 far 0 20 0 - 7.2-11.5 HA LYS 20 - HB3 LYS 90 far 0 25 0 - 7.5-11.0 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (1.77, 1.86, 31.73 ppm; 2.68 A): 1 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 poor 20 25 85 95 2.0-3.8 3.6=41, 3970/1.8=17...(46) HB3 GLU 63 - HB3 LYS 66 far 0 98 0 - 5.4-6.0 HG3 ARG 19 - HB3 LYS 90 far 0 35 0 - 7.4-12.0 HB2 LYS 39 - HB3 LYS 66 far 0 73 0 - 8.4-10.8 HB ILE 56 - HB3 LYS 66 far 0 100 0 - 8.4-9.1 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 14 assignments used, quality = 1.00: * HG2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.9 3.0=100 HG3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 ARG 91 - HB3 LYS 90 far 0 35 0 - 4.2-7.4 HG LEU 38 - HB3 LYS 66 far 0 73 0 - 4.9-8.6 HB2 LEU 38 - HB3 LYS 66 far 0 65 0 - 5.5-9.2 HG LEU 64 - HB3 LYS 66 far 0 99 0 - 6.8-7.3 HG3 LYS 24 - HB3 LYS 90 far 0 31 0 - 7.0-11.0 HB3 LEU 64 - HB3 LYS 66 far 0 100 0 - 7.1-7.6 HG LEU 57 - HB3 LYS 90 far 0 34 0 - 7.2-9.4 HB2 LEU 14 - HB3 LYS 90 far 0 22 0 - 8.0-12.1 HB ILE 7 - HB3 LYS 90 far 0 22 0 - 8.0-11.7 HG12 ILE 56 - HB3 LYS 66 far 0 57 0 - 8.8-10.6 HG2 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.3-12.0 HD2 LYS 82 - HB3 LYS 66 far 0 73 0 - 9.8-11.2 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 14 assignments used, quality = 1.00: * HG3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.3-2.8 3.0=100 HG2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 ARG 91 - HB3 LYS 90 far 0 35 0 - 4.2-7.4 HG LEU 38 - HB3 LYS 66 far 0 70 0 - 4.9-8.6 HB2 LEU 38 - HB3 LYS 66 far 0 61 0 - 5.5-9.2 HG LEU 64 - HB3 LYS 66 far 0 98 0 - 6.8-7.3 HG3 LYS 24 - HB3 LYS 90 far 0 32 0 - 7.0-11.0 HB3 LEU 64 - HB3 LYS 66 far 0 100 0 - 7.1-7.6 HG LEU 57 - HB3 LYS 90 far 0 34 0 - 7.2-9.4 HB2 LEU 14 - HB3 LYS 90 far 0 23 0 - 8.0-12.1 HB ILE 7 - HB3 LYS 90 far 0 23 0 - 8.0-11.7 HG12 ILE 56 - HB3 LYS 66 far 0 61 0 - 8.8-10.6 HG2 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.3-12.0 HD2 LYS 82 - HB3 LYS 66 far 0 70 0 - 9.8-11.2 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 9 assignments used, quality = 1.00: * HD2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.7-4.2 3.6=100 HG3 LYS 90 + HB3 LYS 90 OK 31 31 100 100 2.2-2.8 2.8=100 HD3 LYS 94 - HB3 LYS 90 poor 11 35 30 - 3.8-8.1 HD2 LYS 94 - HB3 LYS 90 far 4 27 15 - 4.2-9.7 HG2 LYS 24 - HB3 LYS 90 far 0 32 0 - 7.3-9.7 HG2 ARG 19 - HB3 LYS 90 far 0 31 0 - 8.3-13.1 HD3 LYS 82 - HB3 LYS 66 far 0 68 0 - 9.0-12.1 HB3 LEU 29 - HB3 LYS 90 far 0 35 0 - 9.5-12.8 HG3 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.5-11.6 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 14 assignments used, quality = 1.00: * HD3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.0-3.7 3.6=89, 2943/1.8=70...(41) HD3 LYS 90 + HB3 LYS 90 OK 35 35 100 100 2.2-4.1 3.6=89, 3981/1.8=45...(45) HB3 ARG 91 - HB3 LYS 90 far 0 30 0 - 4.5-7.3 HG LEU 70 - HB3 LYS 66 far 0 100 0 - 4.7-6.0 HG3 LYS 20 - HB3 LYS 90 far 0 25 0 - 5.0-11.2 HB3 LEU 70 - HB3 LYS 66 far 0 97 0 - 5.4-8.4 HD2 LYS 20 - HB3 LYS 90 far 0 27 0 - 5.5-10.7 HD3 LYS 20 - HB3 LYS 90 far 0 25 0 - 6.4-10.6 HG2 PRO 86 - HB3 LYS 90 far 0 34 0 - 7.2-10.1 HD3 LYS 24 - HB3 LYS 90 far 0 35 0 - 7.8-11.9 HD3 LYS 73 - HB3 LYS 66 far 0 65 0 - 8.4-12.7 HD2 LYS 73 - HB3 LYS 66 far 0 70 0 - 8.4-13.2 HD2 LYS 24 - HB3 LYS 90 far 0 35 0 - 8.7-11.7 HB ILE 15 - HB3 LYS 90 far 0 24 0 - 9.1-13.4 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 11 assignments used, quality = 0.99: HE3 LYS 66 + HB3 LYS 66 OK 95 100 95 100 3.9-5.1 4.7=68, 2.9/2904=54...(46) * HE2 LYS 66 + HB3 LYS 66 OK 75 100 75 100 3.7-5.2 4.7=68, 2.9/2904=54...(45) HE3 LYS 94 - HB3 LYS 90 far 2 31 5 - 4.7-10.0 HE2 LYS 20 - HB3 LYS 90 far 0 31 0 - 5.1-11.5 HE2 LYS 94 - HB3 LYS 90 far 0 26 0 - 5.2-10.0 HE3 LYS 20 - HB3 LYS 90 far 0 30 0 - 5.5-11.3 HE2 LYS 68 - HB3 LYS 66 far 0 96 0 - 7.1-11.4 HB2 ASN 60 - HB3 LYS 66 far 0 100 0 - 7.1-8.7 HE3 LYS 68 - HB3 LYS 66 far 0 98 0 - 7.4-11.2 HE2 LYS 39 - HB3 LYS 66 far 0 87 0 - 7.9-13.0 HE3 LYS 39 - HB3 LYS 66 far 0 94 0 - 8.0-12.9 Violated in 10 structures by 0.05 A. Peak 2906 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 4.05 A): 2 out of 11 assignments used, quality = 0.96: * HE3 LYS 66 + HB3 LYS 66 OK 90 100 90 100 3.9-5.1 4.7=63, 2.9/2904=52...(46) HE2 LYS 66 + HB3 LYS 66 OK 60 100 60 100 3.7-5.2 4.7=63, 2.9/2904=52...(45) HE3 LYS 94 - HB3 LYS 90 far 2 34 5 - 4.7-10.0 HE2 LYS 20 - HB3 LYS 90 far 0 34 0 - 5.1-11.5 HE2 LYS 94 - HB3 LYS 90 far 0 30 0 - 5.2-10.0 HE3 LYS 20 - HB3 LYS 90 far 0 33 0 - 5.5-11.3 HE2 LYS 68 - HB3 LYS 66 far 0 99 0 - 7.1-11.4 HB2 ASN 60 - HB3 LYS 66 far 0 99 0 - 7.1-8.7 HE3 LYS 68 - HB3 LYS 66 far 0 100 0 - 7.4-11.2 HE2 LYS 39 - HB3 LYS 66 far 0 77 0 - 7.9-13.0 HE3 LYS 39 - HB3 LYS 66 far 0 87 0 - 8.0-12.9 Violated in 11 structures by 0.10 A. Peak 2907 from cnoeabs.peaks (8.48, 1.86, 31.73 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + HB3 LYS 66 OK 100 100 100 100 2.3-3.1 7087=100, 7086/1.8=80...(18) 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 6 assignments used, quality = 1.00: * H LYS 66 + HG2 LYS 66 OK 100 100 100 100 1.9-3.7 7070/3.0=66, 7069/3.0=63...(29) H LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.3-4.4 7070/3.0=66, 7069/3.0=63...(26) H SER 9 - HG3 LYS 33 far 0 71 0 - 5.0-6.5 HE ARG 30 - HG3 LYS 33 far 0 68 0 - 8.3-13.0 H LYS 73 - HG2 LYS 66 far 0 59 0 - 9.1-11.5 H TYR 41 - HG3 LYS 33 far 0 61 0 - 9.9-11.3 Violated in 0 structures by 0.00 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 2.1-3.4 3.7=81, 2942/2.9=53...(32) HA LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.3-3.8 3.7=81, 2942/2.9=53...(30) 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 7 assignments used, quality = 1.00: * HB2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 GLU 63 - HG2 LYS 66 far 0 98 0 - 5.9-8.7 HB3 GLU 63 - HG3 LYS 66 far 0 98 0 - 6.6-8.4 HB2 LYS 39 - HG3 LYS 66 far 0 73 0 - 7.9-11.6 HB ILE 15 - HG3 LYS 33 far 0 39 0 - 7.9-9.6 HB2 LYS 39 - HG2 LYS 66 far 0 73 0 - 8.6-12.6 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 11 assignments used, quality = 1.00: * HB3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LYS 68 - HG2 LYS 66 far 0 99 0 - 6.7-9.1 HB2 LYS 68 - HG2 LYS 66 far 0 88 0 - 7.4-9.4 HB ILE 8 - HG3 LYS 33 far 0 43 0 - 7.4-9.1 HB3 LYS 68 - HG3 LYS 66 far 0 99 0 - 8.0-10.3 HB ILE 8 - HG3 LYS 66 far 0 69 0 - 8.2-10.5 HB ILE 8 - HG2 LYS 66 far 0 70 0 - 8.5-11.3 HB2 LYS 68 - HG3 LYS 66 far 0 88 0 - 8.6-10.6 HB3 LYS 39 - HG3 LYS 66 far 0 100 0 - 9.5-12.8 HB2 LYS 12 - HG3 LYS 33 far 0 73 0 - 9.8-11.9 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 7 assignments used, quality = 0.99: * HD2 LYS 66 + HG2 LYS 66 OK 93 100 100 93 2.2-3.0 2.9=66, 2932/3.0=18...(28) HD2 LYS 66 + HG3 LYS 66 OK 93 100 100 93 2.2-2.9 2.9=66, 2932/3.0=18...(28) HB2 ARG 30 - HG3 LYS 33 far 0 73 0 - 8.0-9.8 HG3 LYS 12 - HG3 LYS 33 far 0 72 0 - 8.1-10.5 HG3 LYS 73 - HG2 LYS 66 far 0 100 0 - 8.5-11.7 HG3 LYS 73 - HG3 LYS 66 far 0 100 0 - 9.0-11.9 HD3 LYS 82 - HG2 LYS 66 far 0 68 0 - 9.5-14.4 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 + HG2 LYS 66 OK 97 100 100 97 2.4-2.9 2.9=76, 2943/3.0=30...(28) HD3 LYS 66 + HG3 LYS 66 OK 97 100 100 97 2.8-3.0 2.9=76, 2943/3.0=30...(28) HD3 LYS 33 + HG3 LYS 33 OK 57 58 100 98 2.5-2.9 3.0=74, 1472/1.8=22...(49) HD2 LYS 33 + HG3 LYS 33 OK 57 58 100 98 2.4-2.9 3.0=74, 1483/1.8=22...(50) HG LEU 70 - HG2 LYS 66 far 0 100 0 - 3.8-6.9 HG LEU 70 - HG3 LYS 66 far 0 100 0 - 4.2-6.8 HG12 ILE 15 - HG3 LYS 33 far 0 71 0 - 5.9-7.7 HB3 LEU 70 - HG2 LYS 66 far 0 97 0 - 6.5-9.8 HB3 LEU 70 - HG3 LYS 66 far 0 97 0 - 6.5-9.5 HD2 LYS 12 - HG3 LYS 33 far 0 73 0 - 7.3-10.9 HD2 LYS 73 - HG2 LYS 66 far 0 70 0 - 7.4-12.7 HD3 LYS 73 - HG2 LYS 66 far 0 65 0 - 7.6-12.9 HB ILE 15 - HG3 LYS 33 far 0 52 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 73 0 - 7.9-12.0 HD3 LYS 73 - HG3 LYS 66 far 0 65 0 - 7.9-13.0 HD2 LYS 73 - HG3 LYS 66 far 0 69 0 - 8.3-12.9 HB3 LYS 40 - HG3 LYS 33 far 0 64 0 - 9.4-11.8 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 15 assignments used, quality = 1.00: * HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-3.6 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.2-4.1 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-4.0 3.6=100 HE2 LYS 39 - HG3 LYS 66 far 0 87 0 - 6.4-13.3 HE2 LYS 68 - HG2 LYS 66 far 0 96 0 - 6.7-12.1 HB2 ASN 60 - HG2 LYS 66 far 0 100 0 - 7.1-10.4 HE2 LYS 39 - HG2 LYS 66 far 0 87 0 - 7.1-14.4 HE3 LYS 68 - HG2 LYS 66 far 0 98 0 - 7.4-11.8 HE3 LYS 39 - HG3 LYS 66 far 0 94 0 - 7.4-13.1 HB2 ASN 60 - HG3 LYS 66 far 0 100 0 - 7.8-10.1 HE3 LYS 39 - HG2 LYS 66 far 0 94 0 - 8.0-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 45 0 - 8.1-10.0 HE2 LYS 68 - HG3 LYS 66 far 0 96 0 - 8.4-13.3 HE3 LYS 68 - HG3 LYS 66 far 0 97 0 - 8.9-12.9 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 15 assignments used, quality = 1.00: * HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-4.0 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-3.6 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.2-4.1 3.6=100 HE2 LYS 39 - HG3 LYS 66 far 0 77 0 - 6.4-13.3 HE2 LYS 68 - HG2 LYS 66 far 0 99 0 - 6.7-12.1 HB2 ASN 60 - HG2 LYS 66 far 0 99 0 - 7.1-10.4 HE2 LYS 39 - HG2 LYS 66 far 0 77 0 - 7.1-14.4 HE3 LYS 68 - HG2 LYS 66 far 0 100 0 - 7.4-11.8 HE3 LYS 39 - HG3 LYS 66 far 0 87 0 - 7.4-13.1 HB2 ASN 60 - HG3 LYS 66 far 0 99 0 - 7.8-10.1 HE3 LYS 39 - HG2 LYS 66 far 0 87 0 - 8.0-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 53 0 - 8.1-10.0 HE2 LYS 68 - HG3 LYS 66 far 0 99 0 - 8.4-13.3 HE3 LYS 68 - HG3 LYS 66 far 0 100 0 - 8.9-12.9 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 5 assignments used, quality = 1.00: * H ALA 67 + HG2 LYS 66 OK 100 100 100 100 3.9-5.0 7086/3.0=80, 7087/3.0=80...(18) H ALA 67 + HG3 LYS 66 OK 100 100 100 100 4.5-5.3 7086/3.0=80, 7087/3.0=80...(15) H VAL 32 + HG3 LYS 33 OK 71 73 100 97 4.0-5.0 3.0/10145=63...(7) H THR 31 - HG3 LYS 33 far 0 66 0 - 6.4-7.1 H ILE 7 - HG3 LYS 33 far 0 60 0 - 7.4-8.7 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 6 assignments used, quality = 1.00: H LYS 66 + HG2 LYS 66 OK 100 100 100 100 1.9-3.7 7070/3.0=69, 7069/3.0=66...(29) * H LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.3-4.4 7070/3.0=69, 7069/3.0=66...(26) H SER 9 - HG3 LYS 33 far 0 73 0 - 5.0-6.5 HE ARG 30 - HG3 LYS 33 far 0 71 0 - 8.3-13.0 H LYS 73 - HG2 LYS 66 far 0 59 0 - 9.1-11.5 H TYR 41 - HG3 LYS 33 far 0 63 0 - 9.9-11.3 Violated in 0 structures by 0.00 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 + HG2 LYS 66 OK 100 100 100 100 2.1-3.4 3.7=80, 2942/2.9=53...(32) * HA LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.3-3.8 3.7=80, 2942/2.9=53...(30) 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 7 assignments used, quality = 1.00: * HB2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 63 - HG2 LYS 66 far 0 98 0 - 5.9-8.7 HB3 GLU 63 - HG3 LYS 66 far 0 98 0 - 6.6-8.4 HB2 LYS 39 - HG3 LYS 66 far 0 73 0 - 7.9-11.6 HB ILE 15 - HG3 LYS 33 far 0 41 0 - 7.9-9.6 HB2 LYS 39 - HG2 LYS 66 far 0 73 0 - 8.6-12.6 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 11 assignments used, quality = 1.00: * HB3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 LYS 68 - HG2 LYS 66 far 0 99 0 - 6.7-9.1 HB2 LYS 68 - HG2 LYS 66 far 0 88 0 - 7.4-9.4 HB ILE 8 - HG3 LYS 33 far 0 45 0 - 7.4-9.1 HB3 LYS 68 - HG3 LYS 66 far 0 99 0 - 8.0-10.3 HB ILE 8 - HG3 LYS 66 far 0 70 0 - 8.2-10.5 HB ILE 8 - HG2 LYS 66 far 0 69 0 - 8.5-11.3 HB2 LYS 68 - HG3 LYS 66 far 0 88 0 - 8.6-10.6 HB3 LYS 39 - HG3 LYS 66 far 0 100 0 - 9.5-12.8 HB2 LYS 12 - HG3 LYS 33 far 0 76 0 - 9.8-11.9 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 7 assignments used, quality = 0.98: * HD2 LYS 66 + HG3 LYS 66 OK 87 100 100 87 2.2-2.9 2.9=54, 2932/3.0=15...(25) HD2 LYS 66 + HG2 LYS 66 OK 87 100 100 87 2.2-3.0 2.9=54, 2932/3.0=15...(24) HB2 ARG 30 - HG3 LYS 33 far 0 76 0 - 8.0-9.8 HG3 LYS 12 - HG3 LYS 33 far 0 74 0 - 8.1-10.5 HG3 LYS 73 - HG2 LYS 66 far 0 100 0 - 8.5-11.7 HG3 LYS 73 - HG3 LYS 66 far 0 100 0 - 9.0-11.9 HD3 LYS 82 - HG2 LYS 66 far 0 67 0 - 9.5-14.4 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 + HG2 LYS 66 OK 95 100 100 95 2.4-2.9 2.9=70, 2943/3.0=28...(26) * HD3 LYS 66 + HG3 LYS 66 OK 95 100 100 95 2.8-3.0 2.9=70, 2943/3.0=28...(26) HD3 LYS 33 + HG3 LYS 33 OK 59 61 100 97 2.5-2.9 3.0=68, 1483/1.8=21...(49) HD2 LYS 33 + HG3 LYS 33 OK 59 61 100 97 2.4-2.9 3.0=68, 1472/1.8=21...(50) HG LEU 70 - HG2 LYS 66 far 0 100 0 - 3.8-6.9 HG LEU 70 - HG3 LYS 66 far 0 100 0 - 4.2-6.8 HG12 ILE 15 - HG3 LYS 33 far 0 74 0 - 5.9-7.7 HB3 LEU 70 - HG2 LYS 66 far 0 97 0 - 6.5-9.8 HB3 LEU 70 - HG3 LYS 66 far 0 97 0 - 6.5-9.5 HD2 LYS 12 - HG3 LYS 33 far 0 76 0 - 7.3-10.9 HD2 LYS 73 - HG2 LYS 66 far 0 69 0 - 7.4-12.7 HD3 LYS 73 - HG2 LYS 66 far 0 65 0 - 7.6-12.9 HB ILE 15 - HG3 LYS 33 far 0 54 0 - 7.9-9.6 HD3 LYS 12 - HG3 LYS 33 far 0 76 0 - 7.9-12.0 HD3 LYS 73 - HG3 LYS 66 far 0 65 0 - 7.9-13.0 HD2 LYS 73 - HG3 LYS 66 far 0 70 0 - 8.3-12.9 HB3 LYS 40 - HG3 LYS 33 far 0 66 0 - 9.4-11.8 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 15 assignments used, quality = 1.00: * HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.2-4.1 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-3.6 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-4.0 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE2 LYS 39 - HG3 LYS 66 far 0 87 0 - 6.4-13.3 HE2 LYS 68 - HG2 LYS 66 far 0 96 0 - 6.7-12.1 HB2 ASN 60 - HG2 LYS 66 far 0 100 0 - 7.1-10.4 HE2 LYS 39 - HG2 LYS 66 far 0 87 0 - 7.1-14.4 HE3 LYS 68 - HG2 LYS 66 far 0 97 0 - 7.4-11.8 HE3 LYS 39 - HG3 LYS 66 far 0 94 0 - 7.4-13.1 HB2 ASN 60 - HG3 LYS 66 far 0 100 0 - 7.8-10.1 HE3 LYS 39 - HG2 LYS 66 far 0 94 0 - 8.0-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 47 0 - 8.1-10.0 HE2 LYS 68 - HG3 LYS 66 far 0 96 0 - 8.4-13.3 HE3 LYS 68 - HG3 LYS 66 far 0 98 0 - 8.9-12.9 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 15 assignments used, quality = 1.00: * HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-4.0 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.2-4.1 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-3.6 3.6=100 HE2 LYS 39 - HG3 LYS 66 far 0 77 0 - 6.4-13.3 HE2 LYS 68 - HG2 LYS 66 far 0 99 0 - 6.7-12.1 HB2 ASN 60 - HG2 LYS 66 far 0 99 0 - 7.1-10.4 HE2 LYS 39 - HG2 LYS 66 far 0 77 0 - 7.1-14.4 HE3 LYS 68 - HG2 LYS 66 far 0 100 0 - 7.4-11.8 HE3 LYS 39 - HG3 LYS 66 far 0 87 0 - 7.4-13.1 HB2 ASN 60 - HG3 LYS 66 far 0 99 0 - 7.8-10.1 HE3 LYS 39 - HG2 LYS 66 far 0 87 0 - 8.0-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 55 0 - 8.1-10.0 HE2 LYS 68 - HG3 LYS 66 far 0 99 0 - 8.4-13.3 HE3 LYS 68 - HG3 LYS 66 far 0 100 0 - 8.9-12.9 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 5 assignments used, quality = 1.00: H ALA 67 + HG2 LYS 66 OK 100 100 100 100 3.9-5.0 7086/3.0=81, 7087/3.0=81...(18) * H ALA 67 + HG3 LYS 66 OK 100 100 100 100 4.5-5.3 7086/3.0=81, 7087/3.0=81...(15) H VAL 32 + HG3 LYS 33 OK 74 76 100 98 4.0-5.0 3.0/10145=66...(7) H THR 31 - HG3 LYS 33 far 0 68 0 - 6.4-7.1 H ILE 7 - HG3 LYS 33 far 0 62 0 - 7.4-8.7 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 7 assignments used, quality = 1.00: * H LYS 66 + HD2 LYS 66 OK 100 100 100 100 3.5-4.9 7073=100, 7074/1.8=97...(31) H LYS 20 + HG2 ARG 19 OK 84 84 100 100 1.9-4.9 4.9=100 HE ARG 30 - HG2 ARG 19 far 0 82 0 - 6.4-13.3 H ASN 26 - HG2 ARG 19 far 0 47 0 - 9.0-12.6 H SER 9 - HG2 ARG 19 far 0 84 0 - 9.3-13.3 H GLU 28 - HG2 ARG 19 far 0 86 0 - 9.3-12.5 H LYS 73 - HD2 LYS 66 far 0 59 0 - 9.4-12.8 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 2.9-4.5 2942/1.8=88, 2876=56...(48) HA GLU 16 + HG2 ARG 19 OK 50 56 100 90 2.0-4.7 733/3.0=28, 6280/6287=24...(18) HA LYS 20 - HG2 ARG 19 poor 19 67 30 96 3.1-6.5 2.9/6302=47, ~6303=38...(18) HA GLU 17 - HG2 ARG 19 far 0 68 0 - 5.1-8.1 HA LYS 24 - HG2 ARG 19 far 0 71 0 - 8.7-12.3 HA PRO 86 - HG2 ARG 19 far 0 82 0 - 9.7-12.4 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 2.6-3.8 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 - 4.8-8.5 HB3 GLU 63 - HD2 LYS 66 far 0 98 0 - 6.9-9.4 HB2 LYS 39 - HD2 LYS 66 far 0 73 0 - 7.9-12.5 HB ILE 93 - HG2 ARG 19 far 0 49 0 - 8.5-11.1 HB2 GLU 28 - HG2 ARG 19 far 0 70 0 - 8.9-12.1 HD2 LYS 90 - HG2 ARG 19 far 0 65 0 - 9.1-12.7 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 2.7-4.2 3.6=100 HB2 ARG 19 + HG2 ARG 19 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 LYS 20 - HG2 ARG 19 far 3 64 5 - 4.0-8.3 HB VAL 5 - HG2 ARG 19 far 0 87 0 - 6.2-9.4 HB2 LYS 12 - HG2 ARG 19 far 0 87 0 - 6.9-10.1 HB3 LYS 68 - HD2 LYS 66 far 0 99 0 - 8.0-11.1 HB3 LYS 90 - HG2 ARG 19 far 0 65 0 - 8.3-13.1 HB3 LEU 57 - HG2 ARG 19 far 0 49 0 - 8.4-12.2 HB3 LYS 12 - HG2 ARG 19 far 0 86 0 - 8.6-11.7 HB2 LYS 68 - HD2 LYS 66 far 0 88 0 - 9.1-10.9 HB ILE 8 - HD2 LYS 66 far 0 70 0 - 9.2-12.0 HB3 LYS 39 - HD2 LYS 66 far 0 100 0 - 9.5-13.4 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 15 assignments used, quality = 1.00: * HG2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-3.0 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 8 54 15 - 2.9-7.4 HB ILE 7 - HG2 ARG 19 far 0 59 0 - 5.4-9.5 HG3 ARG 30 - HG2 ARG 19 far 0 45 0 - 6.6-11.9 HG LEU 38 - HD2 LYS 66 far 0 73 0 - 7.2-10.0 HB2 LEU 38 - HD2 LYS 66 far 0 65 0 - 7.5-11.2 HG2 LYS 73 - HD2 LYS 66 far 0 100 0 - 7.6-13.5 HG3 LYS 24 - HG2 ARG 19 far 0 78 0 - 7.7-12.8 HG LEU 64 - HD2 LYS 66 far 0 99 0 - 8.0-10.0 HB2 LEU 27 - HG2 ARG 19 far 0 54 0 - 8.4-11.2 HB2 LEU 14 - HG2 ARG 19 far 0 59 0 - 8.5-12.1 HG LEU 57 - HG2 ARG 19 far 0 84 0 - 8.7-12.5 HB3 LEU 64 - HD2 LYS 66 far 0 100 0 - 9.2-11.1 HG LEU 6 - HG2 ARG 19 far 0 54 0 - 9.3-13.6 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 15 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 2.2-3.0 2.9=100 HG2 LYS 20 - HG2 ARG 19 far 8 50 15 - 2.9-7.4 HB ILE 7 - HG2 ARG 19 far 0 62 0 - 5.4-9.5 HG3 ARG 30 - HG2 ARG 19 far 0 49 0 - 6.6-11.9 HG LEU 38 - HD2 LYS 66 far 0 70 0 - 7.2-10.0 HB2 LEU 38 - HD2 LYS 66 far 0 61 0 - 7.5-11.2 HG2 LYS 73 - HD2 LYS 66 far 0 100 0 - 7.6-13.5 HG3 LYS 24 - HG2 ARG 19 far 0 80 0 - 7.7-12.8 HG LEU 64 - HD2 LYS 66 far 0 98 0 - 8.0-10.0 HB2 LEU 27 - HG2 ARG 19 far 0 50 0 - 8.4-11.2 HB2 LEU 14 - HG2 ARG 19 far 0 62 0 - 8.5-12.1 HG LEU 57 - HG2 ARG 19 far 0 85 0 - 8.7-12.5 HB3 LEU 64 - HD2 LYS 66 far 0 100 0 - 9.2-11.1 HG LEU 6 - HG2 ARG 19 far 0 57 0 - 9.3-13.6 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 18 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 10 65 15 - 2.1-8.6 HD2 LYS 20 - HG2 ARG 19 far 3 70 5 - 3.1-9.1 HD3 LYS 20 - HG2 ARG 19 far 0 65 0 - 3.9-9.2 HG LEU 70 - HD2 LYS 66 far 0 100 0 - 4.0-7.5 HB ILE 15 - HG2 ARG 19 far 0 64 0 - 4.8-8.5 HG12 ILE 15 - HG2 ARG 19 far 0 85 0 - 5.4-9.6 HB3 LEU 70 - HD2 LYS 66 far 0 97 0 - 6.1-10.2 HD3 LYS 73 - HD2 LYS 66 far 0 65 0 - 6.2-13.3 HD2 LYS 73 - HD2 LYS 66 far 0 70 0 - 6.6-14.4 HD3 LYS 12 - HG2 ARG 19 far 0 87 0 - 7.6-11.8 HD2 LYS 12 - HG2 ARG 19 far 0 87 0 - 7.6-11.3 HD3 LYS 24 - HG2 ARG 19 far 0 86 0 - 8.0-13.8 HD2 LYS 24 - HG2 ARG 19 far 0 86 0 - 8.4-13.7 HD3 LYS 90 - HG2 ARG 19 far 0 86 0 - 8.8-13.6 HD2 LYS 90 - HG2 ARG 19 far 0 47 0 - 9.1-12.7 HD3 LYS 13 - HG2 ARG 19 far 0 87 0 - 9.3-13.8 HD2 LYS 13 - HG2 ARG 19 far 0 87 0 - 9.5-14.3 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 2.4-3.0 2.9=100 HE3 LYS 20 - HG2 ARG 19 far 8 77 10 - 3.2-9.8 HE2 LYS 20 - HG2 ARG 19 far 4 78 5 - 4.2-9.6 HE2 LYS 39 - HD2 LYS 66 far 0 87 0 - 5.9-14.2 HE3 LYS 39 - HD2 LYS 66 far 0 94 0 - 6.5-13.6 HB2 ASN 60 - HD2 LYS 66 far 0 100 0 - 7.6-11.2 HE3 LYS 68 - HD2 LYS 66 far 0 98 0 - 8.4-13.6 HE2 LYS 68 - HD2 LYS 66 far 0 96 0 - 8.5-13.8 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 2.4-3.0 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 far 8 82 10 - 3.2-9.8 HE2 LYS 20 - HG2 ARG 19 far 4 83 5 - 4.2-9.6 HE2 LYS 39 - HD2 LYS 66 far 0 77 0 - 5.9-14.2 HE3 LYS 39 - HD2 LYS 66 far 0 87 0 - 6.5-13.6 HB2 ASN 60 - HD2 LYS 66 far 0 99 0 - 7.6-11.2 HE3 LYS 90 - HG2 ARG 19 far 0 52 0 - 8.3-14.1 HG2 MET 21 - HG2 ARG 19 far 0 45 0 - 8.3-10.0 HE3 LYS 68 - HD2 LYS 66 far 0 100 0 - 8.4-13.6 HE2 LYS 68 - HD2 LYS 66 far 0 99 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (8.48, 1.60, 27.82 ppm; 6.22 A): 3 out of 5 assignments used, quality = 1.00: * H ALA 67 + HD2 LYS 66 OK 100 100 100 100 5.5-6.2 7090=100, 7086/3.6=97...(14) H LEU 29 + HG2 ARG 19 OK 40 62 80 80 5.1-8.4 4.8/1298=41...(4) H THR 31 + HG2 ARG 19 OK 23 79 60 48 5.9-10.0 12050/1298=37...(4) H ILE 7 - HG2 ARG 19 poor 7 72 30 32 6.2-10.9 1295/1298=12...(3) H VAL 32 - HG2 ARG 19 far 0 87 0 - 7.9-12.1 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 2.4-4.0 7074=100, 3.0/2942=94...(29) H LYS 73 - HD3 LYS 66 far 0 59 0 - 8.4-12.0 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 1.8-3.7 3.0/2943=54, 3.0/7074=49...(48) Violated in 4 structures by 0.01 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 2.2-3.5 3.6=94, 1.8/2904=55...(48) HB3 GLU 63 - HD3 LYS 66 far 0 98 0 - 6.4-9.2 HB2 LYS 39 - HD3 LYS 66 far 0 73 0 - 8.8-11.5 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 5 assignments used, quality = 1.00: * HB3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.0-3.7 3.6=100 HB3 LYS 68 - HD3 LYS 66 far 0 99 0 - 6.4-9.7 HB2 LYS 68 - HD3 LYS 66 far 0 88 0 - 7.4-9.5 HB3 LYS 39 - HD3 LYS 66 far 0 100 0 - 9.2-13.2 HB ILE 8 - HD3 LYS 66 far 0 70 0 - 9.3-11.7 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 2.8-3.0 2.9=100 HG2 LYS 73 - HD3 LYS 66 far 0 100 0 - 7.1-13.1 HG LEU 38 - HD3 LYS 66 far 0 73 0 - 7.2-10.5 HB2 LEU 38 - HD3 LYS 66 far 0 65 0 - 7.3-11.4 HG LEU 64 - HD3 LYS 66 far 0 99 0 - 7.3-9.2 HB3 LEU 64 - HD3 LYS 66 far 0 100 0 - 8.0-10.3 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 2.8-3.0 2.9=100 HG2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.4-2.9 2.9=100 HG2 LYS 73 - HD3 LYS 66 far 0 100 0 - 7.1-13.1 HG LEU 38 - HD3 LYS 66 far 0 70 0 - 7.2-10.5 HB2 LEU 38 - HD3 LYS 66 far 0 61 0 - 7.3-11.4 HG LEU 64 - HD3 LYS 66 far 0 98 0 - 7.3-9.2 HB3 LEU 64 - HD3 LYS 66 far 0 100 0 - 8.0-10.3 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 3 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 - 7.2-11.7 HD3 LYS 82 - HD3 LYS 66 far 0 68 0 - 9.9-14.8 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 - 6.8-13.5 HE2 LYS 68 - HD3 LYS 66 far 0 96 0 - 6.8-12.2 HB2 ASN 60 - HD3 LYS 66 far 0 100 0 - 7.1-11.2 HE3 LYS 39 - HD3 LYS 66 far 0 94 0 - 7.5-14.2 HE3 LYS 68 - HD3 LYS 66 far 0 98 0 - 7.8-12.4 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 - 6.8-13.5 HE2 LYS 68 - HD3 LYS 66 far 0 99 0 - 6.8-12.2 HB2 ASN 60 - HD3 LYS 66 far 0 99 0 - 7.1-11.2 HE3 LYS 39 - HD3 LYS 66 far 0 87 0 - 7.5-14.2 HE3 LYS 68 - HD3 LYS 66 far 0 100 0 - 7.8-12.4 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 4.4-5.2 7077/7074=94...(13) 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 22 assignments used, quality = 1.00: * H LYS 66 + HE2 LYS 66 OK 95 100 95 100 4.4-5.5 7074/2.9=76, 7070/4.7=60...(27) H LYS 20 + HE2 LYS 20 OK 81 86 95 100 3.5-5.6 6309/3.6=69, 893/3.6=65...(24) H LYS 66 + HE3 LYS 66 OK 80 99 80 100 3.2-5.6 7074/2.9=76, 7070/4.7=60...(28) H LYS 20 + HE3 LYS 20 OK 71 84 85 100 3.6-5.7 6309/3.6=69, 893/3.6=65...(24) H LYS 66 - HE2 LYS 68 far 9 92 10 - 5.0-9.8 H LYS 66 - HE3 LYS 68 far 5 95 5 - 5.2-9.7 H LYS 73 - HE3 LYS 39 far 0 45 0 - 5.5-10.6 H LYS 73 - HE2 LYS 39 far 0 36 0 - 6.3-11.3 H TYR 41 - HE2 LYS 39 far 0 61 0 - 6.8-10.0 H LYS 73 - HE2 LYS 68 far 0 49 0 - 6.8-10.8 H TYR 41 - HE3 LYS 39 far 0 74 0 - 7.3-9.9 H GLU 99 - HE3 LYS 94 far 0 89 0 - 7.8-11.4 H LYS 73 - HE3 LYS 68 far 0 52 0 - 7.8-11.1 H ASN 26 - HE2 LYS 94 far 0 36 0 - 7.8-14.0 H GLU 99 - HE2 LYS 94 far 0 69 0 - 7.9-10.4 H LYS 73 - HE3 LYS 66 far 0 58 0 - 8.3-13.0 H ASN 26 - HE3 LYS 20 far 0 47 0 - 9.3-13.7 H ASN 26 - HE3 LYS 94 far 0 50 0 - 9.3-13.7 H LYS 66 - HE2 LYS 39 far 0 73 0 - 9.5-14.9 H LYS 20 - HE2 LYS 94 far 0 68 0 - 9.7-15.0 H LYS 66 - HE3 LYS 39 far 0 87 0 - 9.9-14.7 H LYS 73 - HE2 LYS 66 far 0 59 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 2953 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 3.94 A): 5 out of 22 assignments used, quality = 1.00: * HA LYS 66 + HE2 LYS 66 OK 100 100 100 100 3.3-4.8 2942/2.9=67, 2879=42...(52) HA LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.2-4.8 2942/2.9=67, 2879=42...(50) HA LYS 20 + HE2 LYS 20 OK 31 69 45 100 3.1-6.2 848/3.6=40, 6.3=24...(95) HA GLU 17 + HE2 LYS 20 OK 26 70 65 57 2.0-7.1 894/3.6=9, 734/4.7=9...(17) HA LYS 20 + HE3 LYS 20 OK 23 67 35 100 2.1-6.0 848/3.6=40, 6.3=24...(95) HA GLU 17 - HE3 LYS 20 poor 17 68 45 57 2.3-7.0 894/3.6=9, 734/4.7=9...(18) HA GLU 16 - HE2 LYS 20 far 9 57 15 - 3.9-7.9 HA GLU 16 - HE3 LYS 20 far 6 56 10 - 4.1-8.2 HA LYS 66 - HE2 LYS 68 far 0 92 0 - 5.6-10.0 HA LYS 24 - HE2 LYS 94 far 0 56 0 - 6.4-13.3 HA LYS 66 - HE3 LYS 68 far 0 95 0 - 6.5-10.0 HA LYS 66 - HE2 LYS 39 far 0 73 0 - 7.2-12.8 HA LYS 24 - HE3 LYS 94 far 0 75 0 - 7.5-13.5 HA LYS 24 - HE3 LYS 20 far 0 71 0 - 7.7-12.0 HA LYS 66 - HE3 LYS 39 far 0 87 0 - 7.7-12.4 HA LYS 24 - HE2 LYS 20 far 0 73 0 - 7.9-12.2 HA PRO 86 - HE2 LYS 20 far 0 84 0 - 8.3-13.7 HA PRO 86 - HE3 LYS 20 far 0 83 0 - 8.9-13.5 HA LYS 20 - HE2 LYS 94 far 0 53 0 - 9.1-15.1 HA GLU 17 - HE2 LYS 94 far 0 54 0 - 9.7-14.2 HA GLU 17 - HE3 LYS 94 far 0 72 0 - 9.9-13.6 HA LYS 20 - HE3 LYS 94 far 0 70 0 - 9.9-14.7 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 2.3-4.8 2943/2.9=70, 4.7=64...(43) HB2 LYS 66 + HE3 LYS 66 OK 89 99 90 100 2.5-5.3 2943/2.9=70, 4.7=64...(44) HB2 LYS 39 + HE3 LYS 39 OK 57 57 100 100 2.3-4.7 4.9=56, 1687/3.0=24...(64) HB2 LYS 39 + HE2 LYS 39 OK 46 46 100 100 2.0-4.8 4.9=56, 1687/3.0=24...(66) HG3 ARG 19 - HE3 LYS 20 far 9 86 10 - 2.9-9.2 HG3 ARG 19 - HE2 LYS 20 far 4 88 5 - 4.1-9.0 HD2 LYS 90 - HE3 LYS 94 far 0 69 0 - 5.3-10.4 HD2 LYS 90 - HE2 LYS 94 far 0 51 0 - 5.8-11.1 HB2 LYS 66 - HE2 LYS 39 far 0 73 0 - 6.2-11.5 HB ILE 93 - HE2 LYS 94 far 0 38 0 - 6.2-8.8 HD2 LYS 90 - HE3 LYS 20 far 0 65 0 - 6.2-12.0 HD2 LYS 90 - HE2 LYS 20 far 0 67 0 - 6.4-12.2 HB2 LYS 66 - HE3 LYS 39 far 0 87 0 - 6.4-11.4 HB ILE 93 - HE3 LYS 94 far 0 52 0 - 6.7-9.0 HB3 LYS 82 - HE2 LYS 68 far 0 92 0 - 6.9-12.4 HB ILE 56 - HE3 LYS 68 far 0 94 0 - 6.9-10.9 HB3 LYS 82 - HE3 LYS 68 far 0 94 0 - 7.1-12.1 HB ILE 56 - HE2 LYS 68 far 0 92 0 - 7.2-10.7 HB2 LYS 39 - HE3 LYS 66 far 0 71 0 - 7.3-12.9 HB2 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.6-13.2 HG3 ARG 46 - HE2 LYS 39 far 0 61 0 - 7.9-14.4 HB2 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.9-11.7 HB ILE 15 - HE3 LYS 20 far 0 49 0 - 7.9-12.2 HB3 GLU 63 - HE2 LYS 68 far 0 88 0 - 8.0-11.9 HB ILE 15 - HE2 LYS 20 far 0 50 0 - 8.0-11.6 HB2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.3-11.9 HB3 GLU 63 - HE3 LYS 66 far 0 97 0 - 8.3-9.7 HB VAL 78 - HE3 LYS 68 far 0 89 0 - 8.3-13.9 HG3 ARG 46 - HE3 LYS 39 far 0 74 0 - 8.4-14.0 HB3 GLU 63 - HE3 LYS 68 far 0 91 0 - 8.4-12.6 HB3 GLU 63 - HE2 LYS 66 far 0 98 0 - 8.7-10.0 HB VAL 78 - HE2 LYS 68 far 0 86 0 - 8.9-13.7 HB ILE 93 - HE2 LYS 20 far 0 50 0 - 9.0-12.2 HB ILE 93 - HE3 LYS 20 far 0 49 0 - 9.4-12.6 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 36 assignments used, quality = 1.00: HB2 LYS 68 + HE3 LYS 68 OK 70 79 90 99 2.2-4.5 5.0=34, ~3055=13...(68) HB3 LYS 39 + HE3 LYS 39 OK 69 87 80 99 2.3-4.7 4.9=35, 1.8/1689=22...(41) HB2 LYS 68 + HE2 LYS 68 OK 68 76 90 99 2.4-4.4 5.0=34, ~3055=13...(68) HB3 LYS 68 + HE3 LYS 68 OK 59 92 65 99 3.1-4.9 5.0=34, 1.8/3007=13...(64) HB3 LYS 39 + HE2 LYS 39 OK 58 73 80 99 2.3-4.6 4.9=35, 1.8/1689=21...(41) HB2 LYS 20 + HE2 LYS 20 OK 55 65 85 98 2.2-5.1 4.7=40, 4.0/6313=14...(88) HB2 LYS 20 + HE3 LYS 20 OK 53 64 85 98 2.0-5.2 4.7=40, 4.0/6313=13...(88) HB3 LYS 68 + HE2 LYS 68 OK 53 89 60 99 3.3-4.9 5.0=34, 3018/1.8=13...(65) HB3 LYS 66 + HE3 LYS 66 OK 50 99 50 100 3.9-5.1 2904/2.9=40, 4.7=40...(43) * HB3 LYS 66 + HE2 LYS 66 OK 25 100 25 100 3.7-5.2 2904/2.9=40, 4.7=40...(42) HB2 ARG 19 - HE2 LYS 20 far 0 61 0 - 4.4-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 69 0 - 4.7-10.0 HB3 LYS 90 - HE2 LYS 20 far 0 67 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 51 0 - 5.2-10.0 HB2 ARG 19 - HE3 LYS 20 far 0 59 0 - 5.4-9.2 HB3 LYS 90 - HE3 LYS 20 far 0 65 0 - 5.5-11.3 HG LEU 42 - HE3 LYS 39 far 0 52 0 - 7.0-9.1 HB3 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.1-11.4 HG LEU 42 - HE2 LYS 39 far 0 42 0 - 7.3-9.3 HB3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.3-11.1 HB3 LYS 66 - HE3 LYS 68 far 0 95 0 - 7.4-11.2 HG2 ARG 46 - HE3 LYS 39 far 0 50 0 - 7.4-14.9 HB2 LYS 12 - HE3 LYS 20 far 0 87 0 - 7.8-13.0 HB3 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.9-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 88 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 99 0 - 7.9-11.4 HB3 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.0-12.9 HB2 LYS 68 - HE3 LYS 66 far 0 86 0 - 8.1-11.5 HB2 LYS 20 - HE2 LYS 94 far 0 50 0 - 8.3-14.3 HB3 LYS 39 - HE3 LYS 66 far 0 99 0 - 8.5-14.5 HG2 ARG 46 - HE2 LYS 39 far 0 41 0 - 8.6-15.2 HB2 LYS 68 - HE2 LYS 66 far 0 88 0 - 8.7-11.9 HB2 LYS 20 - HE3 LYS 94 far 0 67 0 - 8.7-14.1 HB3 LYS 39 - HE2 LYS 66 far 0 100 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 86 0 - 9.3-14.0 HB3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.5-13.8 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.41 A): 6 out of 61 assignments used, quality = 1.00: * HG2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.1-3.6 3.6=84, 2925/2.9=36...(50) HG3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.2-4.1 3.6=84, 2925/2.9=36...(50) HG2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(49) HG3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.4-4.0 3.6=84, 2925/2.9=36...(49) HG2 LYS 20 + HE2 LYS 20 OK 55 55 100 99 2.0-4.1 3.6=88, 4.9/6313=11...(98) HG2 LYS 20 + HE3 LYS 20 OK 54 54 100 99 2.3-4.2 3.6=88, 4.9/6313=10...(98) HG LEU 64 - HE3 LYS 68 poor 20 91 25 87 2.4-6.9 2.1/9484=19, 9485/1.8=16...(19) HG LEU 64 - HE2 LYS 68 poor 18 88 20 - 2.0-6.5 HG2 LYS 73 - HE2 LYS 39 far 4 73 5 - 4.1-10.5 HG3 ARG 91 - HE3 LYS 94 far 2 48 5 - 4.2-9.8 HB2 LEU 38 - HE2 LYS 39 far 0 41 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 46 0 - 4.4-10.4 HB3 LEU 64 - HE2 LYS 68 far 0 92 0 - 4.5-9.0 HG2 LYS 73 - HE3 LYS 39 far 0 87 0 - 4.6-9.5 HB2 ARG 91 - HE2 LYS 94 far 0 70 0 - 4.9-8.9 HG3 ARG 91 - HE2 LYS 94 far 0 35 0 - 4.9-10.0 HB2 ARG 91 - HE3 LYS 94 far 0 90 0 - 4.9-9.4 HB3 LEU 64 - HE3 LYS 68 far 0 94 0 - 5.1-8.9 HG3 LYS 24 - HE2 LYS 94 far 0 63 0 - 5.2-13.4 HG LEU 38 - HE3 LYS 39 far 0 57 0 - 5.3-9.8 HG3 LYS 24 - HE3 LYS 20 far 0 78 0 - 5.4-10.3 HG3 LYS 24 - HE2 LYS 20 far 0 80 0 - 5.5-10.9 HB2 LEU 38 - HE3 LYS 39 far 0 50 0 - 5.5-10.4 HG3 LYS 24 - HE3 LYS 94 far 0 82 0 - 6.2-12.5 HG3 LYS 66 - HE2 LYS 39 far 0 73 0 - 6.4-13.3 HB2 LEU 38 - HE3 LYS 66 far 0 64 0 - 6.7-13.3 HG2 LYS 66 - HE2 LYS 68 far 0 92 0 - 6.7-12.1 HB2 LEU 38 - HE2 LYS 66 far 0 65 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 71 0 - 7.1-12.2 HG2 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.1-14.4 HD3 LYS 40 - HE2 LYS 39 far 0 55 0 - 7.2-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 99 0 - 7.2-13.4 HG3 LYS 13 - HE2 LYS 20 far 0 88 0 - 7.3-13.4 HD2 LYS 40 - HE3 LYS 39 far 0 65 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 53 0 - 7.4-12.5 HG LEU 38 - HE2 LYS 66 far 0 73 0 - 7.4-12.5 HG2 LYS 66 - HE3 LYS 68 far 0 95 0 - 7.4-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 67 0 - 7.4-12.2 HG3 LYS 66 - HE3 LYS 39 far 0 87 0 - 7.4-13.1 HG LEU 64 - HE3 LYS 66 far 0 97 0 - 7.7-10.7 HG12 ILE 56 - HE3 LYS 68 far 0 50 0 - 7.8-13.0 HG2 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.0-14.2 HG2 LYS 73 - HE3 LYS 68 far 0 94 0 - 8.4-14.2 HG3 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.4-13.3 HG3 LYS 13 - HE3 LYS 20 far 0 86 0 - 8.5-13.9 HG2 LYS 73 - HE2 LYS 68 far 0 92 0 - 8.6-13.6 HG12 ILE 56 - HE2 LYS 68 far 0 48 0 - 8.6-12.6 HG LEU 64 - HE2 LYS 66 far 0 99 0 - 8.7-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 100 0 - 8.7-12.5 HG3 LYS 66 - HE3 LYS 68 far 0 94 0 - 8.9-12.9 HD2 LYS 82 - HE2 LYS 68 far 0 62 0 - 9.1-13.6 HB3 LEU 64 - HE3 LYS 66 far 0 99 0 - 9.2-11.6 HD2 LYS 82 - HE3 LYS 68 far 0 65 0 - 9.2-13.8 HB2 LEU 27 - HE2 LYS 94 far 0 42 0 - 9.3-13.6 HG LEU 38 - HE2 LYS 68 far 0 62 0 - 9.6-15.5 HB2 LEU 14 - HE2 LYS 20 far 0 61 0 - 9.8-14.3 HB2 ARG 91 - HE3 LYS 20 far 0 86 0 - 9.9-17.0 HB3 LEU 103 - HE2 LYS 68 far 0 62 0 - 9.9-21.1 HB2 ARG 91 - HE2 LYS 20 far 0 88 0 - 10.0-16.9 HB3 LEU 64 - HE2 LYS 66 far 0 100 0 - 10.0-11.5 HG3 ARG 91 - HE2 LYS 20 far 0 47 0 - 10.0-18.8 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.41 A): 6 out of 58 assignments used, quality = 1.00: * HG3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.2-4.1 3.6=84, 2925/2.9=36...(50) HG2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.1-3.6 3.6=84, 2925/2.9=36...(50) HG3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.4-4.0 3.6=84, 2925/2.9=36...(49) HG2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(49) HG2 LYS 20 + HE2 LYS 20 OK 52 52 100 99 2.0-4.1 3.6=88, 4.9/6313=11...(98) HG2 LYS 20 + HE3 LYS 20 OK 50 50 100 99 2.3-4.2 3.6=88, 4.9/6313=10...(98) HG LEU 64 - HE3 LYS 68 poor 19 90 25 86 2.4-6.9 2.1/9484=19, 9485/1.8=16...(19) HG LEU 64 - HE2 LYS 68 poor 17 87 20 - 2.0-6.5 HG2 LYS 73 - HE2 LYS 39 far 4 73 5 - 4.1-10.5 HB2 LEU 38 - HE2 LYS 39 far 0 38 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 44 0 - 4.4-10.4 HB3 LEU 64 - HE2 LYS 68 far 0 92 0 - 4.5-9.0 HG2 LYS 73 - HE3 LYS 39 far 0 87 0 - 4.6-9.5 HB2 ARG 91 - HE2 LYS 94 far 0 69 0 - 4.9-8.9 HB2 ARG 91 - HE3 LYS 94 far 0 89 0 - 4.9-9.4 HB3 LEU 64 - HE3 LYS 68 far 0 94 0 - 5.1-8.9 HG3 LYS 24 - HE2 LYS 94 far 0 64 0 - 5.2-13.4 HG LEU 38 - HE3 LYS 39 far 0 54 0 - 5.3-9.8 HG3 LYS 24 - HE3 LYS 20 far 0 80 0 - 5.4-10.3 HG3 LYS 24 - HE2 LYS 20 far 0 82 0 - 5.5-10.9 HB2 LEU 38 - HE3 LYS 39 far 0 47 0 - 5.5-10.4 HG3 LYS 24 - HE3 LYS 94 far 0 84 0 - 6.2-12.5 HG3 LYS 66 - HE2 LYS 39 far 0 73 0 - 6.4-13.3 HB2 LEU 38 - HE3 LYS 66 far 0 60 0 - 6.7-13.3 HG2 LYS 66 - HE2 LYS 68 far 0 92 0 - 6.7-12.1 HB2 LEU 38 - HE2 LYS 66 far 0 61 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 68 0 - 7.1-12.2 HG2 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.1-14.4 HD3 LYS 40 - HE2 LYS 39 far 0 52 0 - 7.2-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 99 0 - 7.2-13.4 HG3 LYS 13 - HE2 LYS 20 far 0 88 0 - 7.3-13.4 HD2 LYS 40 - HE3 LYS 39 far 0 62 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 51 0 - 7.4-12.5 HG LEU 38 - HE2 LYS 66 far 0 70 0 - 7.4-12.5 HG2 LYS 66 - HE3 LYS 68 far 0 94 0 - 7.4-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 64 0 - 7.4-12.2 HG3 LYS 66 - HE3 LYS 39 far 0 87 0 - 7.4-13.1 HG LEU 64 - HE3 LYS 66 far 0 96 0 - 7.7-10.7 HG12 ILE 56 - HE3 LYS 68 far 0 54 0 - 7.8-13.0 HG2 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.0-14.2 HG2 LYS 73 - HE3 LYS 68 far 0 94 0 - 8.4-14.2 HG3 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.4-13.3 HG3 LYS 13 - HE3 LYS 20 far 0 86 0 - 8.5-13.9 HG2 LYS 73 - HE2 LYS 68 far 0 92 0 - 8.6-13.6 HG12 ILE 56 - HE2 LYS 68 far 0 51 0 - 8.6-12.6 HG LEU 64 - HE2 LYS 66 far 0 98 0 - 8.7-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 100 0 - 8.7-12.5 HG3 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.9-12.9 HD2 LYS 82 - HE2 LYS 68 far 0 58 0 - 9.1-13.6 HB3 LEU 64 - HE3 LYS 66 far 0 99 0 - 9.2-11.6 HD2 LYS 82 - HE3 LYS 68 far 0 61 0 - 9.2-13.8 HB2 LEU 27 - HE2 LYS 94 far 0 39 0 - 9.3-13.6 HG LEU 38 - HE2 LYS 68 far 0 58 0 - 9.6-15.5 HB2 LEU 14 - HE2 LYS 20 far 0 64 0 - 9.8-14.3 HB2 ARG 91 - HE3 LYS 20 far 0 85 0 - 9.9-17.0 HB3 LEU 103 - HE2 LYS 68 far 0 65 0 - 9.9-21.1 HB2 ARG 91 - HE2 LYS 20 far 0 87 0 - 10.0-16.9 HB3 LEU 64 - HE2 LYS 66 far 0 100 0 - 10.0-11.5 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 38 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 2.4-3.0 2.9=100 HD3 LYS 94 + HE3 LYS 94 OK 90 90 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 56 56 100 100 2.2-3.0 3.0=100 HG2 ARG 19 - HE3 LYS 20 far 4 79 5 - 3.2-9.8 HG3 LYS 73 - HE2 LYS 39 far 0 73 0 - 4.1-11.8 HG2 ARG 19 - HE2 LYS 20 far 0 81 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 64 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 84 0 - 5.2-11.5 HG3 LYS 73 - HE3 LYS 39 far 0 87 0 - 5.3-10.9 HG2 LYS 24 - HE2 LYS 20 far 0 82 0 - 5.4-11.8 HG3 LYS 90 - HE2 LYS 20 far 0 80 0 - 5.6-11.8 HG3 LYS 90 - HE3 LYS 20 far 0 78 0 - 5.6-10.7 HG2 LYS 24 - HE3 LYS 20 far 0 80 0 - 5.9-11.4 HD2 LYS 66 - HE2 LYS 39 far 0 73 0 - 5.9-14.2 HD2 LYS 66 - HE3 LYS 39 far 0 87 0 - 6.5-13.6 HG3 LYS 90 - HE3 LYS 94 far 0 82 0 - 6.5-10.8 HG3 LYS 90 - HE2 LYS 94 far 0 63 0 - 6.8-10.7 HB2 ARG 79 - HE3 LYS 68 far 0 94 0 - 6.9-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 92 0 - 7.0-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 57 0 - 7.5-13.8 HD3 LYS 82 - HE3 LYS 68 far 0 59 0 - 7.6-13.7 HG3 LYS 73 - HE3 LYS 68 far 0 94 0 - 7.6-12.6 HB2 ARG 79 - HE2 LYS 68 far 0 92 0 - 7.7-13.1 HG3 LYS 73 - HE3 LYS 66 far 0 99 0 - 7.8-12.1 HB3 LEU 29 - HE3 LYS 20 far 0 86 0 - 8.0-12.1 HG LEU 103 - HE2 LYS 68 far 0 81 0 - 8.3-22.3 HD2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.4-13.6 HG3 LYS 73 - HE2 LYS 66 far 0 100 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.5-13.8 HG LEU 27 - HE2 LYS 94 far 0 71 0 - 8.5-13.2 HD3 LYS 94 - HE2 LYS 20 far 0 88 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 88 0 - 8.9-11.4 HG LEU 103 - HE3 LYS 68 far 0 84 0 - 9.2-21.2 HD3 LYS 94 - HE3 LYS 20 far 0 87 0 - 9.3-15.7 HG LEU 27 - HE3 LYS 94 far 0 90 0 - 9.7-12.7 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 72 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=7...(41) HD2 LYS 20 + HE3 LYS 20 OK 69 70 100 100 2.2-3.0 3.0=99, 2.8/930=7...(40) HD3 LYS 20 + HE2 LYS 20 OK 67 67 100 100 2.3-3.0 3.0=99, 2.8/930=7...(42) HD3 LYS 20 + HE3 LYS 20 OK 65 65 100 100 2.3-3.0 3.0=99, 2.8/930=7...(41) HG3 LYS 20 + HE2 LYS 20 OK 61 67 95 96 2.1-4.2 3.6=59, 1.8/930=10...(80) HG3 LYS 20 + HE3 LYS 20 OK 56 65 90 95 2.2-4.1 3.6=59, 1.8/930=10...(77) HG LEU 70 - HE3 LYS 66 far 5 99 5 - 3.8-8.6 HD2 LYS 73 - HE3 LYS 39 far 3 54 5 - 3.7-10.4 HD2 LYS 73 - HE2 LYS 39 far 2 44 5 - 3.6-10.8 HD3 LYS 73 - HE2 LYS 39 far 2 41 5 - 3.8-12.3 HD3 LYS 73 - HE3 LYS 39 far 0 50 0 - 3.9-11.1 HB3 LEU 70 - HE2 LYS 39 far 0 68 0 - 4.0-9.6 HG LEU 70 - HE3 LYS 39 far 0 87 0 - 4.3-8.1 HG LEU 70 - HE2 LYS 39 far 0 73 0 - 4.4-8.2 HB3 ARG 91 - HE2 LYS 94 far 0 61 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 86 0 - 4.5-11.5 HG LEU 70 - HE2 LYS 66 far 0 100 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 80 0 - 4.6-8.8 HB3 LEU 70 - HE3 LYS 39 far 0 81 0 - 4.6-9.5 HD3 LYS 24 - HE2 LYS 20 far 0 88 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 88 0 - 4.7-13.8 HD2 LYS 90 - HE3 LYS 94 far 0 50 0 - 5.3-10.4 HD2 ARG 81 - HE3 LYS 68 far 0 78 0 - 5.5-10.9 HD2 LYS 90 - HE2 LYS 94 far 0 36 0 - 5.8-11.1 HD2 LYS 24 - HE2 LYS 20 far 0 88 0 - 5.8-11.8 HB3 LEU 70 - HE3 LYS 66 far 0 96 0 - 5.9-11.5 HD3 LYS 90 - HE3 LYS 94 far 0 90 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 68 0 - 6.2-14.4 HB3 LYS 40 - HE2 LYS 39 far 0 64 0 - 6.2-10.2 HD2 LYS 90 - HE3 LYS 20 far 0 47 0 - 6.2-12.0 HD2 LYS 24 - HE3 LYS 20 far 0 86 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 86 0 - 6.3-12.5 HD2 LYS 90 - HE2 LYS 20 far 0 48 0 - 6.4-12.2 HB3 LYS 40 - HE3 LYS 39 far 0 77 0 - 6.5-9.9 HD2 ARG 81 - HE2 LYS 68 far 0 75 0 - 6.6-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 65 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 70 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 64 0 - 6.7-13.1 HD3 LYS 66 - HE2 LYS 39 far 0 73 0 - 6.8-13.5 HD3 LYS 13 - HE2 LYS 20 far 0 89 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 70 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 92 0 - 6.8-12.2 HB3 LEU 70 - HE2 LYS 66 far 0 97 0 - 6.9-10.6 HD3 LYS 13 - HE3 LYS 20 far 0 87 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 89 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 89 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 90 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 70 0 - 7.2-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.3-12.8 HD3 LYS 66 - HE3 LYS 39 far 0 87 0 - 7.5-14.2 HD2 LYS 13 - HE3 LYS 20 far 0 87 0 - 7.5-13.3 HB3 LEU 70 - HE2 LYS 68 far 0 86 0 - 7.7-12.1 HD3 LYS 73 - HE2 LYS 68 far 0 55 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 95 0 - 7.8-12.4 HB ILE 15 - HE3 LYS 20 far 0 64 0 - 7.9-12.2 HB ILE 15 - HE2 LYS 20 far 0 65 0 - 8.0-11.6 HG LEU 70 - HE2 LYS 68 far 0 92 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 87 0 - 8.3-16.6 HB3 LEU 70 - HE3 LYS 68 far 0 89 0 - 8.4-12.4 HG2 PRO 86 - HE2 LYS 20 far 0 86 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 58 0 - 8.6-14.0 HG2 PRO 86 - HE3 LYS 20 far 0 84 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 94 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 57 0 - 9.4-14.9 HG3 LYS 20 - HE3 LYS 94 far 0 69 0 - 9.5-16.2 HD3 LYS 12 - HE2 LYS 20 far 0 89 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 51 0 - 9.7-16.3 HD2 LYS 12 - HE2 LYS 20 far 0 89 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 61 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 87 0 - 9.9-15.8 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 22 assignments used, quality = 1.00: H LYS 66 + HE2 LYS 66 OK 94 99 95 100 4.4-5.5 7074/2.9=76, 7070/4.7=60...(27) H LYS 20 + HE2 LYS 20 OK 89 94 95 100 3.5-5.6 6309/3.6=69, 893/3.6=65...(24) * H LYS 66 + HE3 LYS 66 OK 80 100 80 100 3.2-5.6 7074/2.9=76, 7070/4.7=60...(28) H LYS 20 + HE3 LYS 20 OK 79 93 85 100 3.6-5.7 6309/3.6=69, 893/3.6=65...(24) H LYS 66 - HE2 LYS 68 far 10 98 10 - 5.0-9.8 H LYS 66 - HE3 LYS 68 far 5 99 5 - 5.2-9.7 H LYS 73 - HE3 LYS 39 far 0 36 0 - 5.5-10.6 H LYS 73 - HE2 LYS 39 far 0 27 0 - 6.3-11.3 H TYR 41 - HE2 LYS 39 far 0 47 0 - 6.8-10.0 H LYS 73 - HE2 LYS 68 far 0 56 0 - 6.8-10.8 H TYR 41 - HE3 LYS 39 far 0 61 0 - 7.3-9.9 H GLU 99 - HE3 LYS 94 far 0 96 0 - 7.8-11.4 H LYS 73 - HE3 LYS 68 far 0 57 0 - 7.8-11.1 H ASN 26 - HE2 LYS 94 far 0 46 0 - 7.8-14.0 H GLU 99 - HE2 LYS 94 far 0 83 0 - 7.9-10.4 H LYS 73 - HE3 LYS 66 far 0 59 0 - 8.3-13.0 H ASN 26 - HE3 LYS 20 far 0 55 0 - 9.3-13.7 H ASN 26 - HE3 LYS 94 far 0 57 0 - 9.3-13.7 H LYS 66 - HE2 LYS 39 far 0 57 0 - 9.5-14.9 H LYS 20 - HE2 LYS 94 far 0 82 0 - 9.7-15.0 H LYS 66 - HE3 LYS 39 far 0 73 0 - 9.9-14.7 H LYS 73 - HE2 LYS 66 far 0 58 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 3.94 A): 6 out of 22 assignments used, quality = 1.00: * HA LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.2-4.8 2942/2.9=67, 2879=42...(50) HA LYS 66 + HE2 LYS 66 OK 99 99 100 100 3.3-4.8 2942/2.9=67, 2879=42...(52) HA LYS 20 + HE2 LYS 20 OK 35 77 45 100 3.1-6.2 848/3.6=40, 6.3=24...(95) HA GLU 17 + HE2 LYS 20 OK 30 79 65 58 2.0-7.1 894/3.6=9, 734/4.7=9...(17) HA LYS 20 + HE3 LYS 20 OK 27 76 35 100 2.1-6.0 848/3.6=40, 6.3=24...(95) HA GLU 17 + HE3 LYS 20 OK 20 78 45 57 2.3-7.0 894/3.6=9, 734/4.7=9...(18) HA GLU 16 - HE2 LYS 20 far 10 65 15 - 3.9-7.9 HA GLU 16 - HE3 LYS 20 far 6 64 10 - 4.1-8.2 HA LYS 66 - HE2 LYS 68 far 0 98 0 - 5.6-10.0 HA LYS 24 - HE2 LYS 94 far 0 69 0 - 6.4-13.3 HA LYS 66 - HE3 LYS 68 far 0 99 0 - 6.5-10.0 HA LYS 66 - HE2 LYS 39 far 0 57 0 - 7.2-12.8 HA LYS 24 - HE3 LYS 94 far 0 83 0 - 7.5-13.5 HA LYS 24 - HE3 LYS 20 far 0 81 0 - 7.7-12.0 HA LYS 66 - HE3 LYS 39 far 0 73 0 - 7.7-12.4 HA LYS 24 - HE2 LYS 20 far 0 82 0 - 7.9-12.2 HA PRO 86 - HE2 LYS 20 far 0 93 0 - 8.3-13.7 HA PRO 86 - HE3 LYS 20 far 0 92 0 - 8.9-13.5 HA LYS 20 - HE2 LYS 94 far 0 65 0 - 9.1-15.1 HA GLU 17 - HE2 LYS 94 far 0 66 0 - 9.7-14.2 HA GLU 17 - HE3 LYS 94 far 0 80 0 - 9.9-13.6 HA LYS 20 - HE3 LYS 94 far 0 78 0 - 9.9-14.7 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 + HE2 LYS 66 OK 99 99 100 100 2.3-4.8 2943/2.9=70, 4.7=64...(43) * HB2 LYS 66 + HE3 LYS 66 OK 90 100 90 100 2.5-5.3 2943/2.9=70, 4.7=64...(44) HB2 LYS 39 + HE3 LYS 39 OK 46 46 100 100 2.3-4.7 4.9=56, 1687/3.0=24...(64) HB2 LYS 39 + HE2 LYS 39 OK 35 35 100 100 2.0-4.8 4.9=56, 1687/3.0=24...(66) HG3 ARG 19 - HE3 LYS 20 far 9 95 10 - 2.9-9.2 HG3 ARG 19 - HE2 LYS 20 far 5 96 5 - 4.1-9.0 HD2 LYS 90 - HE3 LYS 94 far 0 77 0 - 5.3-10.4 HD2 LYS 90 - HE2 LYS 94 far 0 63 0 - 5.8-11.1 HB2 LYS 66 - HE2 LYS 39 far 0 57 0 - 6.2-11.5 HB ILE 93 - HE2 LYS 94 far 0 47 0 - 6.2-8.8 HD2 LYS 90 - HE3 LYS 20 far 0 75 0 - 6.2-12.0 HD2 LYS 90 - HE2 LYS 20 far 0 76 0 - 6.4-12.2 HB2 LYS 66 - HE3 LYS 39 far 0 73 0 - 6.4-11.4 HB ILE 93 - HE3 LYS 94 far 0 59 0 - 6.7-9.0 HB3 LYS 82 - HE2 LYS 68 far 0 98 0 - 6.9-12.4 HB ILE 56 - HE3 LYS 68 far 0 99 0 - 6.9-10.9 HB3 LYS 82 - HE3 LYS 68 far 0 99 0 - 7.1-12.1 HB ILE 56 - HE2 LYS 68 far 0 98 0 - 7.2-10.7 HB2 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.3-12.9 HB2 LYS 39 - HE2 LYS 66 far 0 71 0 - 7.6-13.2 HG3 ARG 46 - HE2 LYS 39 far 0 47 0 - 7.9-14.4 HB2 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.9-11.7 HB ILE 15 - HE3 LYS 20 far 0 57 0 - 7.9-12.2 HB3 GLU 63 - HE2 LYS 68 far 0 95 0 - 8.0-11.9 HB ILE 15 - HE2 LYS 20 far 0 58 0 - 8.0-11.6 HB2 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.3-11.9 HB3 GLU 63 - HE3 LYS 66 far 0 98 0 - 8.3-9.7 HB VAL 78 - HE3 LYS 68 far 0 95 0 - 8.3-13.9 HG3 ARG 46 - HE3 LYS 39 far 0 61 0 - 8.4-14.0 HB3 GLU 63 - HE3 LYS 68 far 0 96 0 - 8.4-12.6 HB3 GLU 63 - HE2 LYS 66 far 0 97 0 - 8.7-10.0 HB VAL 78 - HE2 LYS 68 far 0 94 0 - 8.9-13.7 HB ILE 93 - HE2 LYS 20 far 0 58 0 - 9.0-12.2 HB ILE 93 - HE3 LYS 20 far 0 57 0 - 9.4-12.6 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 36 assignments used, quality = 1.00: HB2 LYS 68 + HE3 LYS 68 OK 76 86 90 99 2.2-4.5 5.0=34, 1.8/3018=13...(68) HB2 LYS 68 + HE2 LYS 68 OK 75 84 90 99 2.4-4.4 5.0=34, ~3055=13...(68) HB3 LYS 68 + HE3 LYS 68 OK 62 97 65 99 3.1-4.9 5.0=34, 1.8/3007=13...(64) HB2 LYS 20 + HE2 LYS 20 OK 62 74 85 98 2.2-5.1 4.7=40, 4.0/6313=14...(88) HB2 LYS 20 + HE3 LYS 20 OK 61 73 85 98 2.0-5.2 4.7=40, 4.0/6313=14...(88) HB3 LYS 39 + HE3 LYS 39 OK 58 73 80 99 2.3-4.7 4.9=35, 1.8/1689=19...(41) HB3 LYS 68 + HE2 LYS 68 OK 57 96 60 99 3.3-4.9 5.0=34, 1.8/3007=13...(65) * HB3 LYS 66 + HE3 LYS 66 OK 50 100 50 100 3.9-5.1 2904/2.9=40, 4.7=40...(44) HB3 LYS 39 + HE2 LYS 39 OK 45 57 80 99 2.3-4.6 4.9=35, 1.8/1689=19...(41) HB3 LYS 66 + HE2 LYS 66 OK 25 99 25 100 3.7-5.2 2904/2.9=40, 4.7=40...(42) HB2 ARG 19 - HE2 LYS 20 far 0 69 0 - 4.4-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 77 0 - 4.7-10.0 HB3 LYS 90 - HE2 LYS 20 far 0 76 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 63 0 - 5.2-10.0 HB2 ARG 19 - HE3 LYS 20 far 0 68 0 - 5.4-9.2 HB3 LYS 90 - HE3 LYS 20 far 0 75 0 - 5.5-11.3 HG LEU 42 - HE3 LYS 39 far 0 42 0 - 7.0-9.1 HB3 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.1-11.4 HG LEU 42 - HE2 LYS 39 far 0 32 0 - 7.3-9.3 HB3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.3-11.1 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.4-11.2 HG2 ARG 46 - HE3 LYS 39 far 0 41 0 - 7.4-14.9 HB2 LYS 12 - HE3 LYS 20 far 0 95 0 - 7.8-13.0 HB3 LYS 66 - HE2 LYS 39 far 0 57 0 - 7.9-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 96 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 98 0 - 7.9-11.4 HB3 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.0-12.9 HB2 LYS 68 - HE3 LYS 66 far 0 88 0 - 8.1-11.5 HB2 LYS 20 - HE2 LYS 94 far 0 62 0 - 8.3-14.3 HB3 LYS 39 - HE3 LYS 66 far 0 100 0 - 8.5-14.5 HG2 ARG 46 - HE2 LYS 39 far 0 31 0 - 8.6-15.2 HB2 LYS 68 - HE2 LYS 66 far 0 86 0 - 8.7-11.9 HB2 LYS 20 - HE3 LYS 94 far 0 75 0 - 8.7-14.1 HB3 LYS 39 - HE2 LYS 66 far 0 99 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 95 0 - 9.3-14.0 HB3 LYS 12 - HE2 LYS 20 far 0 96 0 - 9.5-13.8 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 61 assignments used, quality = 1.00: * HG2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(49) HG3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.4-4.0 3.6=84, 2925/2.9=36...(49) HG2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.1-3.6 3.6=84, 2925/2.9=36...(50) HG3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.2-4.1 3.6=84, 2925/2.9=36...(50) HG2 LYS 20 + HE2 LYS 20 OK 63 63 100 100 2.0-4.1 3.6=88, 4.9/6313=11...(98) HG2 LYS 20 + HE3 LYS 20 OK 62 62 100 100 2.3-4.2 3.6=88, 3.0/929=11...(98) HG LEU 64 + HE3 LYS 68 OK 21 97 25 87 2.4-6.9 2.1/10265=20...(20) HG LEU 64 - HE2 LYS 68 poor 19 95 20 - 2.0-6.5 HG2 LYS 73 - HE2 LYS 39 far 3 57 5 - 4.1-10.5 HG3 ARG 91 - HE3 LYS 94 far 3 55 5 - 4.2-9.8 HB2 LEU 38 - HE2 LYS 39 far 0 31 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 35 0 - 4.4-10.4 HB3 LEU 64 - HE2 LYS 68 far 0 98 0 - 4.5-9.0 HG2 LYS 73 - HE3 LYS 39 far 0 73 0 - 4.6-9.5 HB2 ARG 91 - HE2 LYS 94 far 0 84 0 - 4.9-8.9 HG3 ARG 91 - HE2 LYS 94 far 0 44 0 - 4.9-10.0 HB2 ARG 91 - HE3 LYS 94 far 0 97 0 - 4.9-9.4 HB3 LEU 64 - HE3 LYS 68 far 0 99 0 - 5.1-8.9 HG3 LYS 24 - HE2 LYS 94 far 0 76 0 - 5.2-13.4 HG LEU 38 - HE3 LYS 39 far 0 46 0 - 5.3-9.8 HG3 LYS 24 - HE3 LYS 20 far 0 88 0 - 5.4-10.3 HG3 LYS 24 - HE2 LYS 20 far 0 89 0 - 5.5-10.9 HB2 LEU 38 - HE3 LYS 39 far 0 41 0 - 5.5-10.4 HG3 LYS 24 - HE3 LYS 94 far 0 90 0 - 6.2-12.5 HG3 LYS 66 - HE2 LYS 39 far 0 57 0 - 6.4-13.3 HB2 LEU 38 - HE3 LYS 66 far 0 65 0 - 6.7-13.3 HG2 LYS 66 - HE2 LYS 68 far 0 98 0 - 6.7-12.1 HB2 LEU 38 - HE2 LYS 66 far 0 64 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 73 0 - 7.1-12.2 HG2 LYS 66 - HE2 LYS 39 far 0 57 0 - 7.1-14.4 HD3 LYS 40 - HE2 LYS 39 far 0 42 0 - 7.2-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 100 0 - 7.2-13.4 HG3 LYS 13 - HE2 LYS 20 far 0 96 0 - 7.3-13.4 HD2 LYS 40 - HE3 LYS 39 far 0 53 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 41 0 - 7.4-12.5 HG LEU 38 - HE2 LYS 66 far 0 71 0 - 7.4-12.5 HG2 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.4-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 55 0 - 7.4-12.2 HG3 LYS 66 - HE3 LYS 39 far 0 73 0 - 7.4-13.1 HG LEU 64 - HE3 LYS 66 far 0 99 0 - 7.7-10.7 HG12 ILE 56 - HE3 LYS 68 far 0 55 0 - 7.8-13.0 HG2 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.0-14.2 HG2 LYS 73 - HE3 LYS 68 far 0 99 0 - 8.4-14.2 HG3 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.4-13.3 HG3 LYS 13 - HE3 LYS 20 far 0 95 0 - 8.5-13.9 HG2 LYS 73 - HE2 LYS 68 far 0 98 0 - 8.6-13.6 HG12 ILE 56 - HE2 LYS 68 far 0 54 0 - 8.6-12.6 HG LEU 64 - HE2 LYS 66 far 0 97 0 - 8.7-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 99 0 - 8.7-12.5 HG3 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.9-12.9 HD2 LYS 82 - HE2 LYS 68 far 0 69 0 - 9.1-13.6 HB3 LEU 64 - HE3 LYS 66 far 0 100 0 - 9.2-11.6 HD2 LYS 82 - HE3 LYS 68 far 0 71 0 - 9.2-13.8 HB2 LEU 27 - HE2 LYS 94 far 0 52 0 - 9.3-13.6 HG LEU 38 - HE2 LYS 68 far 0 69 0 - 9.6-15.5 HB2 LEU 14 - HE2 LYS 20 far 0 69 0 - 9.8-14.3 HB2 ARG 91 - HE3 LYS 20 far 0 95 0 - 9.9-17.0 HB3 LEU 103 - HE2 LYS 68 far 0 69 0 - 9.9-21.1 HB2 ARG 91 - HE2 LYS 20 far 0 96 0 - 10.0-16.9 HB3 LEU 64 - HE2 LYS 66 far 0 99 0 - 10.0-11.5 HG3 ARG 91 - HE2 LYS 20 far 0 54 0 - 10.0-18.8 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 58 assignments used, quality = 1.00: * HG3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.4-4.0 3.6=84, 2925/2.9=36...(49) HG2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(49) HG3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.2-4.1 3.6=84, 2925/2.9=36...(50) HG2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.1-3.6 3.6=84, 2925/2.9=36...(50) HG2 LYS 20 + HE2 LYS 20 OK 59 60 100 100 2.0-4.1 3.6=88, 4.9/6313=11...(98) HG2 LYS 20 + HE3 LYS 20 OK 58 58 100 100 2.3-4.2 3.6=88, 3.0/929=11...(98) HG LEU 64 + HE3 LYS 68 OK 21 96 25 86 2.4-6.9 2.1/10265=20...(20) HG LEU 64 - HE2 LYS 68 poor 19 94 20 - 2.0-6.5 HG2 LYS 73 - HE2 LYS 39 far 3 57 5 - 4.1-10.5 HB2 LEU 38 - HE2 LYS 39 far 0 28 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 33 0 - 4.4-10.4 HB3 LEU 64 - HE2 LYS 68 far 0 98 0 - 4.5-9.0 HG2 LYS 73 - HE3 LYS 39 far 0 73 0 - 4.6-9.5 HB2 ARG 91 - HE2 LYS 94 far 0 83 0 - 4.9-8.9 HB2 ARG 91 - HE3 LYS 94 far 0 96 0 - 4.9-9.4 HB3 LEU 64 - HE3 LYS 68 far 0 99 0 - 5.1-8.9 HG3 LYS 24 - HE2 LYS 94 far 0 78 0 - 5.2-13.4 HG LEU 38 - HE3 LYS 39 far 0 44 0 - 5.3-9.8 HG3 LYS 24 - HE3 LYS 20 far 0 90 0 - 5.4-10.3 HG3 LYS 24 - HE2 LYS 20 far 0 91 0 - 5.5-10.9 HB2 LEU 38 - HE3 LYS 39 far 0 38 0 - 5.5-10.4 HG3 LYS 24 - HE3 LYS 94 far 0 92 0 - 6.2-12.5 HG3 LYS 66 - HE2 LYS 39 far 0 57 0 - 6.4-13.3 HB2 LEU 38 - HE3 LYS 66 far 0 61 0 - 6.7-13.3 HG2 LYS 66 - HE2 LYS 68 far 0 98 0 - 6.7-12.1 HB2 LEU 38 - HE2 LYS 66 far 0 60 0 - 7.0-13.3 HG LEU 38 - HE3 LYS 66 far 0 70 0 - 7.1-12.2 HG2 LYS 66 - HE2 LYS 39 far 0 57 0 - 7.1-14.4 HD3 LYS 40 - HE2 LYS 39 far 0 39 0 - 7.2-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 100 0 - 7.2-13.4 HG3 LYS 13 - HE2 LYS 20 far 0 96 0 - 7.3-13.4 HD2 LYS 40 - HE3 LYS 39 far 0 51 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 38 0 - 7.4-12.5 HG LEU 38 - HE2 LYS 66 far 0 68 0 - 7.4-12.5 HG2 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.4-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 52 0 - 7.4-12.2 HG3 LYS 66 - HE3 LYS 39 far 0 73 0 - 7.4-13.1 HG LEU 64 - HE3 LYS 66 far 0 98 0 - 7.7-10.7 HG12 ILE 56 - HE3 LYS 68 far 0 59 0 - 7.8-13.0 HG2 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.0-14.2 HG2 LYS 73 - HE3 LYS 68 far 0 99 0 - 8.4-14.2 HG3 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.4-13.3 HG3 LYS 13 - HE3 LYS 20 far 0 95 0 - 8.5-13.9 HG2 LYS 73 - HE2 LYS 68 far 0 98 0 - 8.6-13.6 HG12 ILE 56 - HE2 LYS 68 far 0 58 0 - 8.6-12.6 HG LEU 64 - HE2 LYS 66 far 0 96 0 - 8.7-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 99 0 - 8.7-12.5 HG3 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.9-12.9 HD2 LYS 82 - HE2 LYS 68 far 0 65 0 - 9.1-13.6 HB3 LEU 64 - HE3 LYS 66 far 0 100 0 - 9.2-11.6 HD2 LYS 82 - HE3 LYS 68 far 0 67 0 - 9.2-13.8 HB2 LEU 27 - HE2 LYS 94 far 0 49 0 - 9.3-13.6 HG LEU 38 - HE2 LYS 68 far 0 65 0 - 9.6-15.5 HB2 LEU 14 - HE2 LYS 20 far 0 72 0 - 9.8-14.3 HB2 ARG 91 - HE3 LYS 20 far 0 94 0 - 9.9-17.0 HB3 LEU 103 - HE2 LYS 68 far 0 73 0 - 9.9-21.1 HB2 ARG 91 - HE2 LYS 20 far 0 95 0 - 10.0-16.9 HB3 LEU 64 - HE2 LYS 66 far 0 99 0 - 10.0-11.5 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 38 assignments used, quality = 1.00: * HD2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 85 85 100 100 2.3-3.0 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 ARG 19 - HE3 LYS 20 far 4 89 5 - 3.2-9.8 HG3 LYS 73 - HE2 LYS 39 far 0 57 0 - 4.1-11.8 HG2 ARG 19 - HE2 LYS 20 far 0 90 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 78 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 92 0 - 5.2-11.5 HG3 LYS 73 - HE3 LYS 39 far 0 73 0 - 5.3-10.9 HG2 LYS 24 - HE2 LYS 20 far 0 91 0 - 5.4-11.8 HG3 LYS 90 - HE2 LYS 20 far 0 89 0 - 5.6-11.8 HG3 LYS 90 - HE3 LYS 20 far 0 88 0 - 5.6-10.7 HG2 LYS 24 - HE3 LYS 20 far 0 90 0 - 5.9-11.4 HD2 LYS 66 - HE2 LYS 39 far 0 57 0 - 5.9-14.2 HD2 LYS 66 - HE3 LYS 39 far 0 73 0 - 6.5-13.6 HG3 LYS 90 - HE3 LYS 94 far 0 90 0 - 6.5-10.8 HG3 LYS 90 - HE2 LYS 94 far 0 76 0 - 6.8-10.7 HB2 ARG 79 - HE3 LYS 68 far 0 99 0 - 6.9-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 98 0 - 7.0-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 63 0 - 7.5-13.8 HD3 LYS 82 - HE3 LYS 68 far 0 65 0 - 7.6-13.7 HG3 LYS 73 - HE3 LYS 68 far 0 99 0 - 7.6-12.6 HB2 ARG 79 - HE2 LYS 68 far 0 98 0 - 7.7-13.1 HG3 LYS 73 - HE3 LYS 66 far 0 100 0 - 7.8-12.1 HB3 LEU 29 - HE3 LYS 20 far 0 95 0 - 8.0-12.1 HG LEU 103 - HE2 LYS 68 far 0 89 0 - 8.3-22.3 HD2 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.4-13.6 HG3 LYS 73 - HE2 LYS 66 far 0 99 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.5-13.8 HG LEU 27 - HE2 LYS 94 far 0 85 0 - 8.5-13.2 HD3 LYS 94 - HE2 LYS 20 far 0 96 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 96 0 - 8.9-11.4 HG LEU 103 - HE3 LYS 68 far 0 91 0 - 9.2-21.2 HD3 LYS 94 - HE3 LYS 20 far 0 95 0 - 9.3-15.7 HG LEU 27 - HE3 LYS 94 far 0 97 0 - 9.7-12.7 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 72 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=9...(41) HD2 LYS 20 + HE3 LYS 20 OK 79 79 100 100 2.2-3.0 3.0=99, 2.8/930=9...(40) HD3 LYS 20 + HE2 LYS 20 OK 75 76 100 100 2.3-3.0 3.0=99, 2.8/930=9...(42) HD3 LYS 20 + HE3 LYS 20 OK 74 75 100 100 2.3-3.0 3.0=99, 2.8/930=9...(42) HG3 LYS 20 + HE2 LYS 20 OK 69 76 95 96 2.1-4.2 3.6=59, 1.8/930=11...(80) HG3 LYS 20 + HE3 LYS 20 OK 64 75 90 96 2.2-4.1 3.6=59, 1.8/930=11...(77) HG LEU 70 - HE3 LYS 66 far 5 100 5 - 3.8-8.6 HD2 LYS 73 - HE3 LYS 39 far 2 44 5 - 3.7-10.4 HD2 LYS 73 - HE2 LYS 39 far 2 33 5 - 3.6-10.8 HD3 LYS 73 - HE2 LYS 39 far 2 31 5 - 3.8-12.3 HD3 LYS 73 - HE3 LYS 39 far 0 41 0 - 3.9-11.1 HB3 LEU 70 - HE2 LYS 39 far 0 52 0 - 4.0-9.6 HG LEU 70 - HE3 LYS 39 far 0 73 0 - 4.3-8.1 HG LEU 70 - HE2 LYS 39 far 0 57 0 - 4.4-8.2 HB3 ARG 91 - HE2 LYS 94 far 0 74 0 - 4.4-9.6 HD3 LYS 24 - HE3 LYS 20 far 0 95 0 - 4.5-11.5 HG LEU 70 - HE2 LYS 66 far 0 99 0 - 4.5-7.6 HB3 ARG 91 - HE3 LYS 94 far 0 88 0 - 4.6-8.8 HB3 LEU 70 - HE3 LYS 39 far 0 68 0 - 4.6-9.5 HD3 LYS 24 - HE2 LYS 20 far 0 96 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 96 0 - 4.7-13.8 HD2 LYS 90 - HE3 LYS 94 far 0 57 0 - 5.3-10.4 HD2 ARG 81 - HE3 LYS 68 far 0 84 0 - 5.5-10.9 HD2 LYS 90 - HE2 LYS 94 far 0 46 0 - 5.8-11.1 HD2 LYS 24 - HE2 LYS 20 far 0 96 0 - 5.8-11.8 HB3 LEU 70 - HE3 LYS 66 far 0 97 0 - 5.9-11.5 HD3 LYS 90 - HE3 LYS 94 far 0 97 0 - 6.1-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 70 0 - 6.2-14.4 HB3 LYS 40 - HE2 LYS 39 far 0 49 0 - 6.2-10.2 HD2 LYS 90 - HE3 LYS 20 far 0 55 0 - 6.2-12.0 HD2 LYS 24 - HE3 LYS 20 far 0 95 0 - 6.3-11.2 HD3 LYS 90 - HE3 LYS 20 far 0 95 0 - 6.3-12.5 HD2 LYS 90 - HE2 LYS 20 far 0 56 0 - 6.4-12.2 HB3 LYS 40 - HE3 LYS 39 far 0 64 0 - 6.5-9.9 HD2 ARG 81 - HE2 LYS 68 far 0 83 0 - 6.6-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 64 0 - 6.6-12.9 HD3 LYS 90 - HE2 LYS 94 far 0 84 0 - 6.7-11.2 HD3 LYS 73 - HE3 LYS 66 far 0 65 0 - 6.7-13.1 HD3 LYS 66 - HE2 LYS 39 far 0 57 0 - 6.8-13.5 HD3 LYS 13 - HE2 LYS 20 far 0 97 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 84 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 98 0 - 6.8-12.2 HB3 LEU 70 - HE2 LYS 66 far 0 96 0 - 6.9-10.6 HD3 LYS 13 - HE3 LYS 20 far 0 96 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 97 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 97 0 - 7.1-13.1 HD3 LYS 24 - HE3 LYS 94 far 0 97 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 84 0 - 7.2-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 68 0 - 7.3-12.8 HD3 LYS 66 - HE3 LYS 39 far 0 73 0 - 7.5-14.2 HD2 LYS 13 - HE3 LYS 20 far 0 96 0 - 7.5-13.3 HB3 LEU 70 - HE2 LYS 68 far 0 94 0 - 7.7-12.1 HD3 LYS 73 - HE2 LYS 68 far 0 61 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.8-12.4 HB ILE 15 - HE3 LYS 20 far 0 73 0 - 7.9-12.2 HB ILE 15 - HE2 LYS 20 far 0 74 0 - 8.0-11.6 HG LEU 70 - HE2 LYS 68 far 0 98 0 - 8.2-12.0 HD2 LYS 12 - HE3 LYS 20 far 0 96 0 - 8.3-16.6 HB3 LEU 70 - HE3 LYS 68 far 0 95 0 - 8.4-12.4 HG2 PRO 86 - HE2 LYS 20 far 0 95 0 - 8.6-14.3 HD2 LYS 73 - HE2 LYS 68 far 0 65 0 - 8.6-14.0 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 99 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 63 0 - 9.4-14.9 HG3 LYS 20 - HE3 LYS 94 far 0 77 0 - 9.5-16.2 HD3 LYS 12 - HE2 LYS 20 far 0 97 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 63 0 - 9.7-16.3 HD2 LYS 12 - HE2 LYS 20 far 0 97 0 - 9.7-16.6 HD2 LYS 73 - HE3 LYS 68 far 0 67 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 96 0 - 9.9-15.8 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 8 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 far 0 44 0 - 5.2-7.1 H ARG 79 - HA ALA 71 far 0 69 0 - 7.2-9.4 H VAL 54 - HA ALA 71 far 0 77 0 - 7.9-9.6 H ALA 67 - HA ALA 71 far 0 80 0 - 8.2-9.1 H ARG 79 - HA ALA 67 far 0 93 0 - 8.6-10.1 H ILE 7 - HA ALA 67 far 0 90 0 - 9.2-11.3 H VAL 32 - HA ALA 67 far 0 100 0 - 9.5-11.4 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): 2 out of 17 assignments used, quality = 1.00: * QB ALA 67 + HA ALA 67 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 25 + HA ALA 22 OK 56 65 100 86 2.4-3.1 1154=29, 6408/6394=25...(15) HB2 LEU 70 - HA ALA 67 poor 19 73 35 75 2.7-4.9 3.9/7140=23, 1.8/3141=19...(14) HB3 LEU 42 - HA ALA 71 far 5 48 10 - 3.4-5.2 HB2 LEU 70 - HA ALA 71 far 0 51 0 - 3.9-4.7 HB3 LEU 27 - HA ALA 22 far 0 64 0 - 4.0-4.9 HG2 LYS 39 - HA ALA 71 far 0 78 0 - 4.9-7.3 HG3 LYS 68 - HA ALA 67 far 0 98 0 - 5.1-7.3 QB ALA 67 - HA ALA 71 far 0 80 0 - 5.9-7.1 HG2 LYS 39 - HA ALA 67 far 0 99 0 - 6.3-9.1 HG12 ILE 8 - HA ALA 67 far 0 84 0 - 6.5-8.0 HG3 LYS 68 - HA ALA 71 far 0 75 0 - 7.3-9.0 HB3 LEU 42 - HA ALA 67 far 0 70 0 - 7.6-9.2 QB ALA 89 - HA ALA 22 far 0 65 0 - 7.6-9.0 HG2 LYS 94 - HA ALA 22 far 0 65 0 - 7.7-9.4 HG LEU 3 - HA ALA 22 far 0 33 0 - 8.6-10.6 HB2 LYS 82 - HA ALA 67 far 0 100 0 - 9.4-10.9 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 SER 97 - HA ALA 22 far 0 43 0 - 6.0-7.5 H GLU 43 - HA ALA 71 far 0 78 0 - 6.7-8.5 H LYS 68 - HA ALA 71 far 0 80 0 - 7.1-7.9 H PHE 96 - HA ALA 22 far 0 48 0 - 7.2-8.5 H ASP 36 - HA ALA 67 far 0 100 0 - 8.2-10.1 H GLU 43 - HA ALA 67 far 0 100 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (7.96, 3.85, 55.40 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + HA ALA 67 OK 100 100 100 100 3.5-4.4 7140=100, 7137/7121=66...(14) H LEU 70 - HA ALA 71 far 4 80 5 - 5.2-5.6 H LEU 42 - HA ALA 71 far 0 80 0 - 6.2-7.5 H LEU 42 - HA ALA 67 far 0 100 0 - 7.6-9.7 Violated in 2 structures by 0.01 A. Peak 2979 from cnoeabs.peaks (1.37, 3.85, 55.40 ppm; 3.17 A): 4 out of 15 assignments used, quality = 0.94: QB ALA 67 + HA ALA 67 OK 73 73 100 100 2.1-2.1 2.1=100 HB2 LEU 70 + HA ALA 71 OK 42 80 55 96 3.9-4.7 7159/3.0=54, ~7160=26...(18) * HB2 LEU 70 + HA ALA 67 OK 39 100 45 86 2.7-4.9 3133/7140=31, 3132=24...(15) QB ALA 25 + HA ALA 22 OK 38 43 100 88 2.4-3.1 8570/3.0=30, 2.9/6394=29...(14) HB3 LEU 27 - HA ALA 22 far 7 49 15 - 4.0-4.9 HG2 LYS 39 - HA ALA 71 far 0 63 0 - 4.9-7.3 HG3 LYS 68 - HA ALA 67 far 0 92 0 - 5.1-7.3 QB ALA 67 - HA ALA 71 far 0 51 0 - 5.9-7.1 HG2 LYS 39 - HA ALA 67 far 0 87 0 - 6.3-9.1 HG12 ILE 8 - HA ALA 67 far 0 100 0 - 6.5-8.0 HG3 LYS 94 - HA ALA 22 far 0 61 0 - 6.7-9.8 HG3 LYS 68 - HA ALA 71 far 0 68 0 - 7.3-9.0 QB ALA 89 - HA ALA 22 far 0 43 0 - 7.6-9.0 HG2 LYS 94 - HA ALA 22 far 0 43 0 - 7.7-9.4 HB2 LYS 82 - HA ALA 67 far 0 84 0 - 9.4-10.9 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 12 assignments used, quality = 1.00: * HB3 LEU 70 + HA ALA 67 OK 87 100 90 97 2.5-4.8 3142/7140=50, 3141=47...(17) HG LEU 70 + HA ALA 67 OK 85 95 95 95 3.6-4.9 3150/7140=41, 9539=32...(16) HB3 LEU 70 + HA ALA 71 OK 79 80 100 99 4.2-4.8 7160/3.0=67, 3141=51...(16) HD3 LYS 66 - HA ALA 67 far 0 97 0 - 6.1-7.0 HG LEU 70 - HA ALA 71 far 0 71 0 - 6.4-6.6 HD2 LYS 24 - HA ALA 22 far 0 55 0 - 6.7-9.1 HD3 LYS 24 - HA ALA 22 far 0 56 0 - 7.1-8.9 HD3 LYS 90 - HA ALA 22 far 0 56 0 - 7.2-11.3 HB2 GLU 28 - HA ALA 22 far 0 47 0 - 8.0-9.2 HD2 LYS 90 - HA ALA 22 far 0 50 0 - 8.2-11.5 HD2 LYS 20 - HA ALA 22 far 0 33 0 - 8.6-11.0 HD3 LYS 66 - HA ALA 71 far 0 74 0 - 9.9-12.7 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 2.3-2.7 2809=55, 7099/2985=49...(17) Violated in 0 structures by 0.00 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 2.0-2.3 2.9=100 H ARG 79 - QB ALA 67 far 0 93 0 - 6.2-7.6 H ILE 7 - QB ALA 67 far 0 90 0 - 6.7-8.3 H VAL 32 - QB ALA 67 far 0 100 0 - 7.4-8.8 H VAL 54 - QB ALA 67 far 0 99 0 - 8.4-9.5 H THR 31 - QB ALA 67 far 0 96 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2983 from cnoeabs.peaks (3.85, 1.34, 17.79 ppm; 2.92 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 67 + QB ALA 67 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 35 - QB ALA 67 far 0 71 0 - 4.9-6.6 HA LEU 38 - QB ALA 67 far 0 92 0 - 5.0-6.9 HA ALA 71 - QB ALA 67 far 0 99 0 - 5.9-7.1 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 3 assignments used, quality = 1.00: * H LYS 68 + QB ALA 67 OK 100 100 100 100 2.6-2.9 3.6=85, 7104/2.1=66...(20) H ASP 36 - QB ALA 67 far 0 100 0 - 7.7-9.4 H GLU 43 - QB ALA 67 far 0 100 0 - 9.4-10.7 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 2 assignments used, quality = 1.00: * H LYS 68 + HA LYS 68 OK 100 100 100 100 2.8-2.9 2.9=100 H HIS 106 - HA LYS 68 far 0 73 0 - 9.1-19.9 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 9 assignments used, quality = 1.00: * HB2 LYS 68 + HA LYS 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 68 + HA LYS 68 OK 71 71 100 100 2.4-3.0 3.0=100 HB VAL 5 - HA ARG 19 far 0 87 0 - 5.2-6.6 HB ILE 93 - HA ARG 19 far 0 67 0 - 6.2-8.1 HB3 LYS 90 - HA ARG 19 far 0 100 0 - 6.9-11.2 HB2 LYS 90 - HA ARG 19 far 0 83 0 - 7.2-11.0 HB3 LYS 66 - HA LYS 68 far 0 88 0 - 7.4-8.0 HB3 LEU 57 - HA ARG 19 far 0 96 0 - 8.7-9.7 HB2 LEU 42 - HA LYS 68 far 0 75 0 - 8.9-10.8 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 10 assignments used, quality = 1.00: * HB3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.4-3.0 3.0=99, 3010/2.9=38...(43) HB2 ARG 19 + HA ARG 19 OK 90 90 100 100 2.3-2.7 3.0=97, 3.0/782=36...(21) HB2 LYS 68 + HA LYS 68 OK 71 71 100 100 2.3-3.0 3.0=99, 2.9/3033=37...(41) HB VAL 5 - HA ARG 19 far 0 98 0 - 5.2-6.6 HB2 LYS 20 - HA ARG 19 far 0 93 0 - 5.7-6.6 HB3 LYS 90 - HA ARG 19 far 0 62 0 - 6.9-11.2 HB3 LYS 66 - HA LYS 68 far 0 99 0 - 7.4-8.0 HG LEU 42 - HA LYS 68 far 0 85 0 - 7.4-9.5 HB VAL 54 - HA LYS 68 far 0 97 0 - 7.9-9.3 HB3 LEU 14 - HA ARG 19 far 0 74 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.64, 3.81, 59.95 ppm; 3.49 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 68 + HA LYS 68 OK 100 100 100 100 2.5-4.0 4.0=68, 1.8/3033=66...(42) HD2 LYS 68 + HA LYS 68 OK 25 99 25 100 2.3-5.5 3.0/3033=50, 1.8/3055=37...(70) HD3 LYS 68 - HA LYS 68 far 15 99 15 - 2.9-4.9 HD2 LYS 20 - HA ARG 19 far 0 67 0 - 4.9-8.1 HD3 LYS 20 - HA ARG 19 far 0 72 0 - 4.9-8.2 HG3 LYS 20 - HA ARG 19 far 0 72 0 - 5.4-7.5 HB3 ARG 79 - HA LYS 68 far 0 98 0 - 7.0-9.6 HB ILE 76 - HA LYS 68 far 0 100 0 - 7.4-9.6 HD2 LYS 73 - HA LYS 68 far 0 85 0 - 8.1-10.8 HD3 LYS 73 - HA LYS 68 far 0 88 0 - 8.3-11.1 HB2 ARG 30 - HA ARG 19 far 0 58 0 - 8.4-9.6 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 8.8-11.4 HB3 LEU 6 - HA ARG 19 far 0 99 0 - 9.9-11.2 HD2 LYS 39 - HA LYS 68 far 0 98 0 - 9.9-12.9 Violated in 13 structures by 0.17 A. Peak 2991 from cnoeabs.peaks (1.35, 3.81, 59.95 ppm; 3.29 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.3-3.8 3033=69, 1.8/2990=52...(43) QB ALA 67 + HA LYS 68 OK 93 98 100 95 3.8-3.9 2985/2.9=49, 4.9=30...(15) HB2 LEU 70 - HA LYS 68 far 0 92 0 - 5.1-7.2 QB ALA 89 - HA ARG 19 far 0 98 0 - 6.4-7.7 HB3 LEU 27 - HA ARG 19 far 0 99 0 - 7.0-9.0 QB ALA 25 - HA ARG 19 far 0 98 0 - 7.1-8.0 HB3 ARG 30 - HA ARG 19 far 0 89 0 - 8.0-9.3 HG LEU 14 - HA ARG 19 far 0 100 0 - 8.6-10.7 HB2 LYS 82 - HA LYS 68 far 0 100 0 - 8.7-10.3 HG2 LYS 39 - HA LYS 68 far 0 100 0 - 9.2-11.9 Violated in 15 structures by 0.03 A. Peak 2992 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.49 A): 2 out of 13 assignments used, quality = 0.99: HG2 LYS 68 + HA LYS 68 OK 99 99 100 100 2.5-4.0 4.0=68, 1.8/3033=66...(42) * HD2 LYS 68 + HA LYS 68 OK 25 100 25 100 2.3-5.5 3.0/3033=50, 1.8/3055=37...(70) HD3 LYS 68 - HA LYS 68 far 15 100 15 - 2.9-4.9 HD2 LYS 20 - HA ARG 19 far 0 84 0 - 4.9-8.1 HD3 LYS 20 - HA ARG 19 far 0 89 0 - 4.9-8.2 HG3 LYS 20 - HA ARG 19 far 0 89 0 - 5.4-7.5 HB3 ARG 79 - HA LYS 68 far 0 100 0 - 7.0-9.6 HB ILE 76 - HA LYS 68 far 0 99 0 - 7.4-9.6 HD2 LYS 73 - HA LYS 68 far 0 96 0 - 8.1-10.8 HD3 LYS 73 - HA LYS 68 far 0 98 0 - 8.3-11.1 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 8.8-11.4 HB3 LEU 6 - HA ARG 19 far 0 100 0 - 9.9-11.2 HD2 LYS 39 - HA LYS 68 far 0 100 0 - 9.9-12.9 Violated in 13 structures by 0.17 A. Peak 2993 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.49 A): 2 out of 13 assignments used, quality = 0.99: HG2 LYS 68 + HA LYS 68 OK 99 99 100 100 2.5-4.0 4.0=68, 1.8/3033=66...(42) HD2 LYS 68 + HA LYS 68 OK 25 100 25 100 2.3-5.5 3.0/3033=50, 1.8/3055=37...(70) ! HD3 LYS 68 - HA LYS 68 far 15 100 15 - 2.9-4.9 HD2 LYS 20 - HA ARG 19 far 0 83 0 - 4.9-8.1 HD3 LYS 20 - HA ARG 19 far 0 87 0 - 4.9-8.2 HG3 LYS 20 - HA ARG 19 far 0 87 0 - 5.4-7.5 HB3 ARG 79 - HA LYS 68 far 0 100 0 - 7.0-9.6 HB ILE 76 - HA LYS 68 far 0 100 0 - 7.4-9.6 HD2 LYS 73 - HA LYS 68 far 0 96 0 - 8.1-10.8 HD3 LYS 73 - HA LYS 68 far 0 97 0 - 8.3-11.1 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 8.8-11.4 HB3 LEU 6 - HA ARG 19 far 0 100 0 - 9.9-11.2 HD2 LYS 39 - HA LYS 68 far 0 100 0 - 9.9-12.9 Violated in 13 structures by 0.17 A. Peak 2994 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 5.70 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 68 + HA LYS 68 OK 100 100 100 100 4.5-6.5 3.6/3033=92, 6.3=76...(59) HE3 LYS 68 + HA LYS 68 OK 100 100 100 100 4.4-6.3 3.6/3033=92, 6.3=76...(60) HE2 LYS 20 - HA ARG 19 far 5 100 5 - 6.3-9.1 HE3 LYS 20 - HA ARG 19 far 5 100 5 - 6.4-9.2 HG2 MET 21 - HA ARG 19 far 4 76 5 - 6.5-7.7 HE3 LYS 90 - HA ARG 19 far 0 83 0 - 7.0-12.9 HE3 LYS 66 - HA LYS 68 far 0 99 0 - 8.6-11.3 HE3 LYS 73 - HA LYS 68 far 0 65 0 - 9.1-12.5 HE2 LYS 66 - HA LYS 68 far 0 96 0 - 9.6-11.3 HE3 LYS 39 - HA LYS 68 far 0 71 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 5.70 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 68 + HA LYS 68 OK 100 100 100 100 4.4-6.3 3.6/3033=92, 6.3=76...(60) HE2 LYS 68 + HA LYS 68 OK 100 100 100 100 4.5-6.5 3.6/3033=92, 6.3=76...(59) HE2 LYS 20 - HA ARG 19 far 5 100 5 - 6.3-9.1 HE3 LYS 20 - HA ARG 19 far 5 99 5 - 6.4-9.2 HG2 MET 21 - HA ARG 19 far 4 72 5 - 6.5-7.7 HE3 LYS 90 - HA ARG 19 far 0 80 0 - 7.0-12.9 HE3 LYS 66 - HA LYS 68 far 0 100 0 - 8.6-11.3 HE3 LYS 73 - HA LYS 68 far 0 61 0 - 9.1-12.5 HE2 LYS 66 - HA LYS 68 far 0 98 0 - 9.6-11.3 HE3 LYS 39 - HA LYS 68 far 0 75 0 - 9.8-14.5 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 92 100 100 92 3.9-4.7 9557/3.0=45...(11) H ASP 65 - HA LYS 68 far 0 94 0 - 7.0-7.5 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 2 assignments used, quality = 1.00: * HA ASP 65 + HB2 LYS 68 OK 99 100 100 99 3.1-4.7 2857/1.8=56...(22) HA ASP 36 + HB3 LYS 39 OK 50 57 90 96 2.9-5.0 10537/1.8=68...(11) Violated in 5 structures by 0.04 A. Peak 2998 from cnoeabs.peaks (8.19, 1.84, 32.18 ppm; 3.51 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.5-3.6 4.0=66, 7111/2.9=61...(22) H GLU 43 - HB3 LYS 39 far 0 72 0 - 4.7-6.4 H ASP 36 - HB3 LYS 39 far 0 73 0 - 5.5-7.2 H HIS 106 - HB2 LYS 68 far 0 73 0 - 7.8-19.2 H PHE 96 - HB3 LYS 90 far 0 80 0 - 8.3-10.2 H PHE 96 - HB2 LYS 90 far 0 48 0 - 8.6-10.4 H SER 97 - HB3 LYS 90 far 0 74 0 - 9.3-11.5 H SER 97 - HB2 LYS 90 far 0 43 0 - 9.5-11.9 Violated in 14 structures by 0.07 A. Peak 2999 from cnoeabs.peaks (3.81, 1.84, 32.18 ppm; 3.46 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 18 - HB3 LYS 90 poor 11 74 40 36 2.3-6.7 8497/4.1=8, 8489/1.8=5...(10) HA ALA 18 - HB2 LYS 90 poor 7 43 50 32 2.9-6.6 8497/4.1=8, 8545/8556=6...(9) HA ARG 19 - HB3 LYS 90 far 0 98 0 - 6.9-11.2 HA ARG 19 - HB2 LYS 90 far 0 65 0 - 7.2-11.0 HA ALA 22 - HB2 LYS 90 far 0 54 0 - 7.4-9.9 HA ALA 22 - HB3 LYS 90 far 0 87 0 - 7.7-9.6 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 26 assignments used, quality = 1.00: * HG2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.3-3.0 2.9=98, 7109/2998=33...(33) HD3 LYS 68 + HB2 LYS 68 OK 93 99 95 98 2.1-3.9 3.5=54, 3055/3.0=18...(64) HD2 LYS 68 + HB2 LYS 68 OK 88 99 90 98 2.0-3.8 3.5=54, 1.8/3045=13...(63) HD3 LYS 39 + HB3 LYS 39 OK 72 73 100 98 2.0-3.7 3.6=50, 1737/1.8=29...(45) HD2 LYS 39 + HB3 LYS 39 OK 65 69 95 98 2.0-3.8 3.6=50, 1726/1.8=28...(42) HD2 LYS 94 - HB3 LYS 90 far 0 91 0 - 4.2-9.7 HB2 LYS 40 - HB3 LYS 39 far 0 73 0 - 4.3-6.0 HD2 LYS 94 - HB2 LYS 90 far 0 57 0 - 4.6-9.6 HG3 LYS 20 - HB3 LYS 90 far 0 70 0 - 5.0-11.2 HD2 LYS 20 - HB3 LYS 90 far 0 64 0 - 5.5-10.7 HD3 LYS 73 - HB3 LYS 39 far 0 58 0 - 5.7-12.1 HD3 LYS 20 - HB2 LYS 90 far 0 41 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 37 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 41 0 - 5.9-11.4 HD3 LYS 20 - HB3 LYS 90 far 0 70 0 - 6.4-10.6 HD2 LYS 73 - HB3 LYS 39 far 0 56 0 - 7.4-12.1 HB3 ARG 79 - HB2 LYS 68 far 0 98 0 - 7.6-11.5 HD3 LYS 20 - HB2 LYS 12 far 0 35 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 32 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 85 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 35 0 - 8.7-12.4 HB ILE 76 - HB3 LYS 39 far 0 73 0 - 8.9-10.9 HD3 LYS 73 - HB2 LYS 68 far 0 88 0 - 8.9-12.2 HB ILE 76 - HB2 LYS 68 far 0 100 0 - 9.1-11.5 HD3 LYS 20 - HB3 LYS 12 far 0 32 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 29 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3003 from cnoeabs.peaks (1.35, 1.84, 32.18 ppm; 3.44 A): 2 out of 21 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 2.4-3.0 3.0=100 QB ALA 89 - HB2 LYS 90 poor 18 63 40 72 3.8-5.3 7415/4.1=41...(6) QB ALA 89 - HB3 LYS 90 far 14 97 15 - 4.0-5.3 QB ALA 67 - HB2 LYS 68 far 5 98 5 - 4.1-5.4 HB2 LEU 70 - HB3 LYS 39 far 3 62 5 - 4.1-7.2 HG2 LYS 94 - HB3 LYS 90 far 0 97 0 - 5.0-9.4 HG2 LYS 94 - HB2 LYS 90 far 0 63 0 - 5.2-10.2 HG3 LYS 40 - HB3 LYS 39 far 0 70 0 - 5.4-7.8 HG LEU 14 - HB2 LYS 90 far 0 66 0 - 5.6-9.7 HG LEU 14 - HB3 LYS 90 far 0 99 0 - 6.0-10.1 HG3 LYS 94 - HB3 LYS 90 far 0 70 0 - 6.1-10.1 HG3 LYS 94 - HB2 LYS 90 far 0 41 0 - 6.5-10.3 HB2 LEU 70 - HB2 LYS 68 far 0 92 0 - 6.8-9.1 QB ALA 25 - HB3 LYS 90 far 0 97 0 - 6.8-9.0 QB ALA 25 - HB2 LYS 90 far 0 63 0 - 7.0-9.0 HB2 LYS 82 - HB2 LYS 68 far 0 100 0 - 7.5-9.7 QB ALA 67 - HB3 LYS 39 far 0 69 0 - 7.6-9.6 HG LEU 14 - HB2 LYS 12 far 0 57 0 - 9.0-9.6 HG LEU 14 - HB3 LYS 12 far 0 53 0 - 9.2-9.8 QB ALA 89 - HB2 LYS 12 far 0 55 0 - 9.6-10.5 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 29 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 99 99 100 100 2.3-3.0 2.9=98, 7111/2998=33...(34) HD3 LYS 68 + HB2 LYS 68 OK 93 100 95 98 2.1-3.9 3.5=54, 3044/3.0=18...(64) * HD2 LYS 68 + HB2 LYS 68 OK 89 100 90 98 2.0-3.8 3.5=54, 1.8/3045=13...(63) HD3 LYS 39 + HB3 LYS 39 OK 69 70 100 98 2.0-3.7 3.6=50, 1737/1.8=28...(45) HD2 LYS 39 + HB3 LYS 39 OK 68 73 95 98 2.0-3.8 3.6=50, 1726/1.8=28...(42) HB3 ARG 91 - HB2 LYS 90 far 0 43 0 - 3.9-7.3 HD2 LYS 94 - HB3 LYS 90 far 0 77 0 - 4.2-9.7 HB2 LYS 40 - HB3 LYS 39 far 0 72 0 - 4.3-6.0 HB3 ARG 91 - HB3 LYS 90 far 0 74 0 - 4.5-7.3 HB3 LYS 40 - HB3 LYS 39 far 0 48 0 - 4.6-6.5 HD2 LYS 94 - HB2 LYS 90 far 0 46 0 - 4.6-9.6 HG3 LYS 20 - HB3 LYS 90 far 0 86 0 - 5.0-11.2 HD2 LYS 20 - HB3 LYS 90 far 0 82 0 - 5.5-10.7 HD3 LYS 73 - HB3 LYS 39 far 0 68 0 - 5.7-12.1 HD3 LYS 20 - HB2 LYS 90 far 0 53 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 49 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 53 0 - 5.9-11.4 HD3 LYS 20 - HB3 LYS 90 far 0 86 0 - 6.4-10.6 HD2 LYS 73 - HB3 LYS 39 far 0 67 0 - 7.4-12.1 HB3 ARG 79 - HB2 LYS 68 far 0 100 0 - 7.6-11.5 HD3 LYS 20 - HB2 LYS 12 far 0 46 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 43 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 96 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 46 0 - 8.7-12.4 HB ILE 76 - HB3 LYS 39 far 0 71 0 - 8.9-10.9 HD3 LYS 73 - HB2 LYS 68 far 0 98 0 - 8.9-12.2 HB ILE 76 - HB2 LYS 68 far 0 99 0 - 9.1-11.5 HD3 LYS 20 - HB3 LYS 12 far 0 42 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 39 0 - 9.5-12.4 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 29 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 99 99 100 100 2.3-3.0 2.9=98, 7112/2998=33...(34) * HD3 LYS 68 + HB2 LYS 68 OK 93 100 95 98 2.1-3.9 3.5=54, 3055/3.0=18...(64) HD2 LYS 68 + HB2 LYS 68 OK 89 100 90 98 2.0-3.8 3.5=54, 1.8/3045=13...(63) HD3 LYS 39 + HB3 LYS 39 OK 69 70 100 98 2.0-3.7 3.6=50, 1737/1.8=29...(45) HD2 LYS 39 + HB3 LYS 39 OK 68 73 95 98 2.0-3.8 3.6=50, 1726/1.8=28...(42) HB3 ARG 91 - HB2 LYS 90 far 0 42 0 - 3.9-7.3 HD2 LYS 94 - HB3 LYS 90 far 0 79 0 - 4.2-9.7 HB2 LYS 40 - HB3 LYS 39 far 0 73 0 - 4.3-6.0 HB3 ARG 91 - HB3 LYS 90 far 0 72 0 - 4.5-7.3 HB3 LYS 40 - HB3 LYS 39 far 0 46 0 - 4.6-6.5 HD2 LYS 94 - HB2 LYS 90 far 0 47 0 - 4.6-9.6 HG3 LYS 20 - HB3 LYS 90 far 0 85 0 - 5.0-11.2 HD2 LYS 20 - HB3 LYS 90 far 0 80 0 - 5.5-10.7 HD3 LYS 73 - HB3 LYS 39 far 0 68 0 - 5.7-12.1 HD3 LYS 20 - HB2 LYS 90 far 0 52 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 48 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 52 0 - 5.9-11.4 HD3 LYS 20 - HB3 LYS 90 far 0 85 0 - 6.4-10.6 HD2 LYS 73 - HB3 LYS 39 far 0 66 0 - 7.4-12.1 HB3 ARG 79 - HB2 LYS 68 far 0 100 0 - 7.6-11.5 HD3 LYS 20 - HB2 LYS 12 far 0 45 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 42 0 - 8.0-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 96 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 45 0 - 8.7-12.4 HB ILE 76 - HB3 LYS 39 far 0 72 0 - 8.9-10.9 HD3 LYS 73 - HB2 LYS 68 far 0 97 0 - 8.9-12.2 HB ILE 76 - HB2 LYS 68 far 0 100 0 - 9.1-11.5 HD3 LYS 20 - HB3 LYS 12 far 0 41 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 38 0 - 9.5-12.4 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 29 assignments used, quality = 1.00: * HE2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.4-4.4 5.0=44, 1.8/3078=21...(88) HE3 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.2-4.5 5.0=44, 1.8/3078=23...(88) HG2 MET 21 + HB3 LYS 90 OK 68 74 95 98 1.9-4.8 3920/3.0=38...(27) HE3 LYS 90 + HB3 LYS 90 OK 60 80 75 100 3.6-5.3 4.8=48, 4005/2.8=48...(39) HE3 LYS 39 + HB3 LYS 39 OK 40 45 90 100 2.3-4.7 4.9=46, 1.8/1749=22...(43) HG2 MET 21 + HB2 LYS 90 OK 40 43 95 97 1.9-6.3 3920/3.0=38, ~9948=23...(26) HE2 LYS 39 + HB3 LYS 39 OK 36 36 100 100 2.3-4.6 4.9=46, ~1737=21...(43) HE3 LYS 90 + HB2 LYS 90 OK 31 48 65 100 3.6-5.5 4.8=48, 4005/2.8=48...(45) HE3 LYS 94 - HB3 LYS 90 far 0 99 0 - 4.7-10.0 HE2 LYS 20 - HB2 LYS 90 far 0 66 0 - 4.8-12.3 HE2 LYS 20 - HB3 LYS 90 far 0 99 0 - 5.1-11.5 HE2 LYS 94 - HB3 LYS 90 far 0 97 0 - 5.2-10.0 HE3 LYS 20 - HB3 LYS 90 far 0 98 0 - 5.5-11.3 HE3 LYS 94 - HB2 LYS 90 far 0 66 0 - 5.5-10.9 HE2 LYS 94 - HB2 LYS 90 far 0 63 0 - 5.6-10.7 HE3 LYS 20 - HB2 LYS 90 far 0 65 0 - 5.7-12.1 HE3 LYS 73 - HB3 LYS 39 far 0 41 0 - 6.8-12.3 HE3 LYS 20 - HB2 LYS 12 far 0 57 0 - 7.8-13.0 HB2 ASN 10 - HB3 LYS 12 far 0 45 0 - 7.9-9.3 HE2 LYS 20 - HB2 LYS 12 far 0 57 0 - 7.9-12.9 HE3 LYS 66 - HB2 LYS 68 far 0 99 0 - 8.1-11.5 HE3 LYS 66 - HB3 LYS 39 far 0 71 0 - 8.5-14.5 HE3 LYS 73 - HB2 LYS 68 far 0 65 0 - 8.6-13.6 HE2 LYS 66 - HB2 LYS 68 far 0 96 0 - 8.7-11.9 HB2 ASN 10 - HB2 LYS 12 far 0 50 0 - 9.0-10.0 HE2 LYS 66 - HB3 LYS 39 far 0 67 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 53 0 - 9.5-13.8 HE3 LYS 90 - HB2 LYS 12 far 0 42 0 - 9.9-16.6 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 29 assignments used, quality = 1.00: * HE3 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.2-4.5 5.0=44, 1.8/3078=23...(88) HE2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.4-4.4 5.0=44, 1.8/3078=21...(88) HG2 MET 21 + HB3 LYS 90 OK 65 70 95 98 1.9-4.8 3920/3.0=35...(27) HE3 LYS 90 + HB3 LYS 90 OK 58 77 75 100 3.6-5.3 4.8=48, 4005/2.8=46...(39) HE3 LYS 39 + HB3 LYS 39 OK 43 48 90 100 2.3-4.7 4.9=46, 1.8/1749=22...(44) HE2 LYS 39 + HB3 LYS 39 OK 39 39 100 100 2.3-4.6 4.9=46, ~1737=21...(43) HG2 MET 21 + HB2 LYS 90 OK 38 41 95 97 1.9-6.3 3920/3.0=35, ~9948=23...(26) HE3 LYS 90 + HB2 LYS 90 OK 30 46 65 100 3.6-5.5 4.8=48, 4005/2.8=46...(45) HE3 LYS 94 - HB3 LYS 90 far 0 98 0 - 4.7-10.0 HE2 LYS 20 - HB2 LYS 90 far 0 65 0 - 4.8-12.3 HE2 LYS 20 - HB3 LYS 90 far 0 98 0 - 5.1-11.5 HE2 LYS 94 - HB3 LYS 90 far 0 96 0 - 5.2-10.0 HE3 LYS 20 - HB3 LYS 90 far 0 98 0 - 5.5-11.3 HE3 LYS 94 - HB2 LYS 90 far 0 65 0 - 5.5-10.9 HE2 LYS 94 - HB2 LYS 90 far 0 62 0 - 5.6-10.7 HE3 LYS 20 - HB2 LYS 90 far 0 65 0 - 5.7-12.1 HE3 LYS 73 - HB3 LYS 39 far 0 38 0 - 6.8-12.3 HE3 LYS 20 - HB2 LYS 12 far 0 57 0 - 7.8-13.0 HB2 ASN 10 - HB3 LYS 12 far 0 44 0 - 7.9-9.3 HE2 LYS 20 - HB2 LYS 12 far 0 57 0 - 7.9-12.9 HE3 LYS 66 - HB2 LYS 68 far 0 100 0 - 8.1-11.5 HE3 LYS 66 - HB3 LYS 39 far 0 72 0 - 8.5-14.5 HE3 LYS 73 - HB2 LYS 68 far 0 61 0 - 8.6-13.6 HE2 LYS 66 - HB2 LYS 68 far 0 98 0 - 8.7-11.9 HB2 ASN 10 - HB2 LYS 12 far 0 48 0 - 9.0-10.0 HE2 LYS 66 - HB3 LYS 39 far 0 68 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.5-13.8 HE3 LYS 90 - HB2 LYS 12 far 0 40 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (7.90, 1.84, 32.18 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 69 + HB2 LYS 68 OK 100 100 100 100 2.4-4.0 7115/2998=61, 7124=59...(19) H GLN 72 - HB2 LYS 68 far 0 100 0 - 4.9-6.3 H ASP 65 - HB2 LYS 68 far 0 94 0 - 5.5-6.9 H GLN 72 - HB3 LYS 39 far 0 72 0 - 9.1-11.1 H GLU 69 - HB3 LYS 39 far 0 73 0 - 9.6-11.9 Violated in 12 structures by 0.06 A. Peak 3009 from cnoeabs.peaks (4.31, 1.87, 32.18 ppm; 3.72 A): 2 out of 2 assignments used, quality = 0.98: * HA ASP 65 + HB3 LYS 68 OK 94 100 95 99 2.4-4.7 2857=65, 7100/3010=46...(25) HA ASP 36 + HB3 LYS 39 OK 63 83 80 95 2.9-5.0 10537/1.8=61...(11) Violated in 3 structures by 0.04 A. Peak 3010 from cnoeabs.peaks (8.19, 1.87, 32.18 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.1-3.6 4.0=69, 7109/2.9=63...(26) H GLU 43 - HB3 LYS 39 far 0 97 0 - 4.7-6.4 H ASP 36 - HB3 LYS 39 far 0 98 0 - 5.5-7.2 H HIS 106 - HB3 LYS 68 far 0 73 0 - 8.8-20.5 Violated in 2 structures by 0.01 A. Peak 3011 from cnoeabs.peaks (3.81, 1.87, 32.18 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 18 - HB2 LYS 20 far 0 60 0 - 5.3-7.3 HA ARG 19 - HB2 LYS 20 far 0 86 0 - 5.7-6.6 HA ALA 22 - HB2 LYS 20 far 0 73 0 - 7.6-8.2 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 23 assignments used, quality = 1.00: * HG2 LYS 68 + HB3 LYS 68 OK 98 100 100 98 2.2-3.0 2.9=83, 7109/3010=29...(32) HD3 LYS 39 + HB3 LYS 39 OK 86 98 90 97 2.0-3.7 3.6=42, 1737/1.8=26...(45) HD3 LYS 68 + HB3 LYS 68 OK 77 99 80 97 2.3-4.1 3.5=46, 3055/3.0=16...(62) HD2 LYS 68 + HB3 LYS 68 OK 77 99 80 97 2.1-3.9 3.5=46, 3056/1.8=12...(61) HD2 LYS 39 + HB3 LYS 39 OK 69 95 75 97 2.0-3.8 3.6=42, 1726/1.8=25...(41) HG3 LYS 20 + HB2 LYS 20 OK 54 57 100 94 2.2-3.0 3.0=76, ~848=14...(45) HD3 LYS 20 + HB2 LYS 20 OK 32 57 60 93 2.3-4.2 3.5=44, ~848=8...(71) HD2 LYS 20 + HB2 LYS 20 OK 27 52 55 93 2.4-4.1 3.5=44, ~848=8...(71) HB2 LYS 40 - HB3 LYS 39 far 0 98 0 - 4.3-6.0 HD3 LYS 73 - HB3 LYS 39 far 0 84 0 - 5.7-12.1 HB3 ARG 79 - HB3 LYS 68 far 0 98 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 81 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 55 0 - 8.0-11.1 HG3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 85 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 98 0 - 8.9-10.9 HB ILE 76 - HB3 LYS 68 far 0 100 0 - 9.1-12.2 HD2 LYS 94 - HB2 LYS 20 far 0 77 0 - 9.1-13.0 HD3 LYS 73 - HB3 LYS 68 far 0 88 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 61 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 56 0 - 9.5-12.4 HB3 LEU 6 - HB3 LYS 68 far 0 100 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.35, 1.87, 32.18 ppm; 3.28 A): 3 out of 15 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 2.4-3.0 3.0=100 QB ALA 67 + HB3 LYS 68 OK 45 98 55 83 3.8-5.2 2985/3010=40...(12) HB2 LEU 70 - HB3 LYS 39 far 4 88 5 - 4.1-7.2 HG3 LYS 40 - HB3 LYS 39 far 0 96 0 - 5.4-7.8 HB2 LEU 70 - HB3 LYS 68 far 0 92 0 - 6.6-8.9 HB2 LYS 82 - HB3 LYS 68 far 0 100 0 - 6.7-10.0 QB ALA 89 - HB2 LYS 20 far 0 83 0 - 7.4-10.1 QB ALA 25 - HB2 LYS 20 far 0 83 0 - 7.5-8.5 QB ALA 67 - HB3 LYS 39 far 0 95 0 - 7.6-9.6 HG LEU 14 - HB2 LYS 12 far 0 90 0 - 9.0-9.6 HG LEU 14 - HB2 LYS 20 far 0 86 0 - 9.2-12.6 HG LEU 14 - HB3 LYS 12 far 0 91 0 - 9.2-9.8 QB ALA 89 - HB2 LYS 12 far 0 87 0 - 9.6-10.5 HG2 LYS 94 - HB2 LYS 20 far 0 83 0 - 10.0-12.8 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 24 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 97 99 100 98 2.2-3.0 2.9=83, 7111/3010=29...(32) HD3 LYS 39 + HB3 LYS 39 OK 83 95 90 97 2.0-3.7 3.6=42, 1737/1.8=25...(45) * HD2 LYS 68 + HB3 LYS 68 OK 78 100 80 97 2.1-3.9 3.5=46, 3045/1.8=12...(61) HD3 LYS 68 + HB3 LYS 68 OK 78 100 80 97 2.3-4.1 3.5=46, 3044/3.0=16...(62) HD2 LYS 39 + HB3 LYS 39 OK 71 98 75 97 2.0-3.8 3.6=42, 1726/1.8=25...(41) HG3 LYS 20 + HB2 LYS 20 OK 68 72 100 95 2.2-3.0 3.0=76, 893/4.0=17...(45) HD3 LYS 20 + HB2 LYS 20 OK 40 72 60 94 2.3-4.2 3.5=44, ~848=8...(71) HD2 LYS 20 + HB2 LYS 20 OK 35 68 55 94 2.4-4.1 3.5=44, ~848=8...(71) HB2 LYS 40 - HB3 LYS 39 far 0 97 0 - 4.3-6.0 HB3 LYS 40 - HB3 LYS 39 far 0 71 0 - 4.6-6.5 HD3 LYS 73 - HB3 LYS 39 far 0 94 0 - 5.7-12.1 HB3 ARG 79 - HB3 LYS 68 far 0 100 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 93 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 75 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 71 0 - 8.0-11.1 HG3 LYS 20 - HB2 LYS 12 far 0 75 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 96 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 97 0 - 8.9-10.9 HB ILE 76 - HB3 LYS 68 far 0 99 0 - 9.1-12.2 HD2 LYS 94 - HB2 LYS 20 far 0 63 0 - 9.1-13.0 HD3 LYS 73 - HB3 LYS 68 far 0 98 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 77 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 72 0 - 9.5-12.4 HB3 LEU 6 - HB3 LYS 68 far 0 100 0 - 9.9-13.6 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 24 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 97 99 100 98 2.2-3.0 2.9=83, 7112/3010=29...(32) HD3 LYS 39 + HB3 LYS 39 OK 84 96 90 97 2.0-3.7 3.6=42, 1737/1.8=25...(45) HD2 LYS 68 + HB3 LYS 68 OK 78 100 80 97 2.1-3.9 3.5=46, 3045/1.8=12...(61) * HD3 LYS 68 + HB3 LYS 68 OK 78 100 80 97 2.3-4.1 3.5=46, 3055/3.0=16...(62) HD2 LYS 39 + HB3 LYS 39 OK 71 98 75 97 2.0-3.8 3.6=42, 1726/1.8=25...(41) HG3 LYS 20 + HB2 LYS 20 OK 67 71 100 95 2.2-3.0 3.0=76, 893/4.0=16...(45) HD3 LYS 20 + HB2 LYS 20 OK 40 71 60 94 2.3-4.2 3.5=44, ~848=8...(71) HD2 LYS 20 + HB2 LYS 20 OK 34 66 55 94 2.4-4.1 3.5=44, ~848=8...(71) HB2 LYS 40 - HB3 LYS 39 far 0 98 0 - 4.3-6.0 HB3 LYS 40 - HB3 LYS 39 far 0 69 0 - 4.6-6.5 HD3 LYS 73 - HB3 LYS 39 far 0 94 0 - 5.7-12.1 HB3 ARG 79 - HB3 LYS 68 far 0 100 0 - 7.2-11.6 HD2 LYS 73 - HB3 LYS 39 far 0 92 0 - 7.4-12.1 HD3 LYS 20 - HB2 LYS 12 far 0 74 0 - 8.0-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 70 0 - 8.0-11.1 HG3 LYS 20 - HB2 LYS 12 far 0 74 0 - 8.7-12.4 HD2 LYS 73 - HB3 LYS 68 far 0 96 0 - 8.7-12.6 HB ILE 76 - HB3 LYS 39 far 0 97 0 - 8.9-10.9 HB ILE 76 - HB3 LYS 68 far 0 100 0 - 9.1-12.2 HD2 LYS 94 - HB2 LYS 20 far 0 65 0 - 9.1-13.0 HD3 LYS 73 - HB3 LYS 68 far 0 97 0 - 9.3-13.0 HD3 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.4-12.5 HD2 LYS 20 - HB3 LYS 12 far 0 71 0 - 9.5-12.4 HB3 LEU 6 - HB3 LYS 68 far 0 100 0 - 9.9-13.6 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 23 assignments used, quality = 1.00: HE3 LYS 68 + HB3 LYS 68 OK 85 100 85 100 3.1-4.9 5.0=40, 3078/1.8=20...(83) HE2 LYS 20 + HB2 LYS 20 OK 77 86 90 99 2.2-5.1 4.7=48, 6313/4.0=17...(99) HE3 LYS 20 + HB2 LYS 20 OK 77 86 90 99 2.0-5.2 4.7=48, 929/1.8=17...(99) * HE2 LYS 68 + HB3 LYS 68 OK 75 100 75 100 3.3-4.9 5.0=40, 3078/1.8=22...(83) HE3 LYS 39 + HB3 LYS 39 OK 57 67 85 99 2.3-4.7 4.9=42, 1.8/1749=25...(44) HE2 LYS 39 + HB3 LYS 39 OK 52 56 95 99 2.3-4.6 4.9=42, 1.8/1749=22...(44) HG2 MET 21 - HB2 LYS 20 far 3 60 5 - 4.1-7.2 HE3 LYS 73 - HB3 LYS 39 far 0 61 0 - 6.8-12.3 HE3 LYS 90 - HB2 LYS 20 far 0 66 0 - 7.2-11.1 HE3 LYS 66 - HB3 LYS 68 far 0 99 0 - 7.3-11.1 HE3 LYS 20 - HB2 LYS 12 far 0 90 0 - 7.8-13.0 HB2 ASN 10 - HB3 LYS 12 far 0 81 0 - 7.9-9.3 HE2 LYS 20 - HB2 LYS 12 far 0 90 0 - 7.9-12.9 HE2 LYS 66 - HB3 LYS 68 far 0 96 0 - 7.9-11.4 HE2 LYS 94 - HB2 LYS 20 far 0 83 0 - 8.3-14.3 HE3 LYS 66 - HB3 LYS 39 far 0 96 0 - 8.5-14.5 HE3 LYS 94 - HB2 LYS 20 far 0 86 0 - 8.7-14.1 HE3 LYS 73 - HB3 LYS 68 far 0 65 0 - 8.9-14.2 HB2 ASN 10 - HB2 LYS 12 far 0 80 0 - 9.0-10.0 HE2 LYS 66 - HB3 LYS 39 far 0 93 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 91 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 91 0 - 9.5-13.8 HE3 LYS 90 - HB2 LYS 12 far 0 70 0 - 9.9-16.6 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 23 assignments used, quality = 1.00: * HE3 LYS 68 + HB3 LYS 68 OK 85 100 85 100 3.1-4.9 5.0=40, 3078/1.8=20...(83) HE2 LYS 20 + HB2 LYS 20 OK 77 86 90 99 2.2-5.1 4.7=48, 6313/4.0=17...(99) HE3 LYS 20 + HB2 LYS 20 OK 77 86 90 99 2.0-5.2 4.7=48, 929/1.8=17...(99) HE2 LYS 68 + HB3 LYS 68 OK 75 100 75 100 3.3-4.9 5.0=40, 3078/1.8=22...(83) HE3 LYS 39 + HB3 LYS 39 OK 60 71 85 99 2.3-4.7 4.9=42, 1.8/1749=25...(44) HE2 LYS 39 + HB3 LYS 39 OK 56 60 95 99 2.3-4.6 4.9=42, 1.8/1749=22...(44) HG2 MET 21 - HB2 LYS 20 far 3 57 5 - 4.1-7.2 HE3 LYS 73 - HB3 LYS 39 far 0 58 0 - 6.8-12.3 HE3 LYS 90 - HB2 LYS 20 far 0 63 0 - 7.2-11.1 HE3 LYS 66 - HB3 LYS 68 far 0 100 0 - 7.3-11.1 HE3 LYS 20 - HB2 LYS 12 far 0 89 0 - 7.8-13.0 HB2 ASN 10 - HB3 LYS 12 far 0 79 0 - 7.9-9.3 HE2 LYS 20 - HB2 LYS 12 far 0 89 0 - 7.9-12.9 HE2 LYS 66 - HB3 LYS 68 far 0 98 0 - 7.9-11.4 HE2 LYS 94 - HB2 LYS 20 far 0 82 0 - 8.3-14.3 HE3 LYS 66 - HB3 LYS 39 far 0 97 0 - 8.5-14.5 HE3 LYS 94 - HB2 LYS 20 far 0 86 0 - 8.7-14.1 HE3 LYS 73 - HB3 LYS 68 far 0 61 0 - 8.9-14.2 HB2 ASN 10 - HB2 LYS 12 far 0 78 0 - 9.0-10.0 HE2 LYS 66 - HB3 LYS 39 far 0 94 0 - 9.2-14.2 HE3 LYS 20 - HB3 LYS 12 far 0 90 0 - 9.3-14.0 HE2 LYS 20 - HB3 LYS 12 far 0 91 0 - 9.5-13.8 HE3 LYS 90 - HB2 LYS 12 far 0 67 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (7.90, 1.87, 32.18 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 69 + HB3 LYS 68 OK 100 100 100 100 2.5-4.0 7115/3010=61, 7125=59...(23) H ASP 65 - HB3 LYS 68 far 14 94 15 - 4.6-7.1 H GLN 72 - HB3 LYS 68 far 0 100 0 - 5.0-6.8 H GLN 72 - HB3 LYS 39 far 0 97 0 - 9.1-11.1 H GLU 69 - HB3 LYS 39 far 0 98 0 - 9.6-11.9 Violated in 7 structures by 0.02 A. Peak 3021 from cnoeabs.peaks (8.19, 1.64, 25.26 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.1-3.8 7109=100, 3032/1.8=70...(26) H GLU 43 - HG3 LYS 47 far 0 61 0 - 7.2-8.8 Violated in 0 structures by 0.00 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 2.5-4.0 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 5 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 far 0 58 0 - 5.5-7.4 HB3 LYS 66 - HG2 LYS 68 far 0 88 0 - 5.9-8.8 HB2 LEU 42 - HG3 LYS 47 far 0 40 0 - 9.3-11.0 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 6 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 far 0 35 0 - 5.3-8.6 HB3 LYS 66 - HG2 LYS 68 far 0 99 0 - 5.9-8.8 HB VAL 54 - HG2 LYS 68 far 0 97 0 - 9.4-12.6 HB ILE 8 - HG2 LYS 68 far 0 87 0 - 9.8-11.6 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 - 3.9-4.8 HB2 LEU 70 - HG2 LYS 68 far 0 92 0 - 6.6-9.5 HB2 LYS 82 - HG2 LYS 68 far 0 100 0 - 7.0-8.8 HB3 LEU 2 - HG3 LYS 47 far 0 56 0 - 8.3-12.9 HG3 LYS 40 - HG3 LYS 47 far 0 60 0 - 9.8-12.4 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 5 assignments used, quality = 1.00: * HE2 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.1-4.1 3.6=100 HE3 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 99 0 - 7.0-11.6 HE2 LYS 66 - HG2 LYS 68 far 0 96 0 - 7.2-12.2 HE3 LYS 73 - HG2 LYS 68 far 0 65 0 - 9.9-13.9 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 5 assignments used, quality = 1.00: * HE3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.1-4.1 3.6=100 HE3 LYS 66 - HG2 LYS 68 far 0 100 0 - 7.0-11.6 HE2 LYS 66 - HG2 LYS 68 far 0 98 0 - 7.2-12.2 HE3 LYS 73 - HG2 LYS 68 far 0 61 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (7.90, 1.64, 25.26 ppm; 5.11 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + HG2 LYS 68 OK 100 100 100 100 2.2-5.1 7115/7109=94...(20) H ASP 65 + HG2 LYS 68 OK 85 94 90 100 4.0-6.6 3.0/10268=67...(26) H GLN 72 - HG2 LYS 68 far 0 100 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (8.19, 1.35, 25.26 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.2-4.2 7109/1.8=96, 4.6=77...(25) H GLU 43 - HG2 LYS 39 poor 16 66 25 - 4.6-6.9 H ASP 36 - HG2 LYS 39 far 0 67 0 - 6.5-8.5 H LYS 68 - HG2 LYS 39 far 0 67 0 - 9.1-12.0 H HIS 106 - HG3 LYS 68 far 0 73 0 - 9.9-20.7 Violated in 0 structures by 0.00 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 2.3-3.8 4.0=82, 2990/1.8=64...(46) HA LYS 68 - HG2 LYS 39 far 0 67 0 - 9.2-11.9 Violated in 3 structures by 0.00 A. Peak 3034 from cnoeabs.peaks (1.84, 1.35, 25.26 ppm; 3.16 A): 4 out of 7 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 2.4-3.0 3.0=100 HB2 LEU 42 + HG2 LYS 39 OK 23 43 70 75 3.3-5.0 3.1/10570=20, ~10568=19...(14) HB3 LYS 66 - HG3 LYS 68 far 0 88 0 - 6.5-9.2 HG2 ARG 46 - HG2 LYS 39 far 0 62 0 - 7.0-11.6 HB3 LYS 66 - HG2 LYS 39 far 0 53 0 - 7.9-11.9 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 11 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 2.4-3.0 3.0=100 HG LEU 42 - HG2 LYS 39 far 0 51 0 - 5.1-6.0 HB2 GLU 43 - HG2 LYS 39 far 0 38 0 - 6.1-9.1 HB3 LYS 66 - HG3 LYS 68 far 0 99 0 - 6.5-9.2 HB3 LYS 66 - HG2 LYS 39 far 0 64 0 - 7.9-11.9 HB VAL 54 - HG3 LYS 68 far 0 97 0 - 9.2-12.7 HB ILE 8 - HG3 LYS 68 far 0 87 0 - 9.5-12.4 HB VAL 54 - HG2 LYS 39 far 0 62 0 - 9.9-11.6 HG LEU 42 - HG3 LYS 68 far 0 85 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (1.64, 1.35, 25.26 ppm; 2.54 A): 5 out of 15 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 2.2-3.0 3.0=63, 1.8/3048=12...(59) HD2 LYS 68 + HG3 LYS 68 OK 93 99 100 94 2.3-2.9 3.0=63, 1.8/3048=12...(58) HD3 LYS 39 + HG2 LYS 39 OK 66 67 100 98 2.2-3.0 3.0=63, 1720/1.8=31...(62) HD2 LYS 39 + HG2 LYS 39 OK 62 63 100 98 2.2-3.0 3.0=63, 1720/1.8=30...(55) HD3 LYS 73 - HG2 LYS 39 far 0 53 0 - 3.9-10.6 HD2 LYS 73 - HG2 LYS 39 far 0 51 0 - 5.4-9.8 HB2 LYS 40 - HG2 LYS 39 far 0 67 0 - 5.6-7.2 HB3 ARG 79 - HG3 LYS 68 far 0 98 0 - 7.0-11.5 HB ILE 76 - HG2 LYS 39 far 0 67 0 - 7.1-9.4 HD3 LYS 73 - HG3 LYS 68 far 0 88 0 - 7.5-12.7 HD2 LYS 73 - HG3 LYS 68 far 0 85 0 - 8.2-12.3 HB ILE 76 - HG3 LYS 68 far 0 100 0 - 9.2-12.6 HB3 LEU 6 - HG2 LYS 39 far 0 66 0 - 9.5-11.7 HB3 LEU 6 - HG3 LYS 68 far 0 100 0 - 9.6-14.0 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): 5 out of 16 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 2.2-3.0 3.0=63, 1.8/3048=12...(59) * HD2 LYS 68 + HG3 LYS 68 OK 94 100 100 94 2.3-2.9 3.0=63, 1.8/3048=12...(58) HD2 LYS 39 + HG2 LYS 39 OK 66 67 100 98 2.2-3.0 3.0=63, 1719/1.8=31...(55) HD3 LYS 39 + HG2 LYS 39 OK 63 64 100 98 2.2-3.0 3.0=63, 1719/1.8=30...(62) HD3 LYS 73 - HG2 LYS 39 far 0 62 0 - 3.9-10.6 HD2 LYS 73 - HG2 LYS 39 far 0 61 0 - 5.4-9.8 HB2 LYS 40 - HG2 LYS 39 far 0 66 0 - 5.6-7.2 HB3 LYS 40 - HG2 LYS 39 far 0 43 0 - 6.3-7.9 HB3 ARG 79 - HG3 LYS 68 far 0 100 0 - 7.0-11.5 HB ILE 76 - HG2 LYS 39 far 0 65 0 - 7.1-9.4 HD3 LYS 73 - HG3 LYS 68 far 0 98 0 - 7.5-12.7 HD2 LYS 73 - HG3 LYS 68 far 0 96 0 - 8.2-12.3 HB ILE 76 - HG3 LYS 68 far 0 99 0 - 9.2-12.6 HB3 LEU 6 - HG2 LYS 39 far 0 67 0 - 9.5-11.7 HB3 LEU 6 - HG3 LYS 68 far 0 100 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (1.65, 1.35, 25.26 ppm; 2.54 A): 5 out of 16 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 2.2-3.0 3.0=63, 1.8/3048=12...(59) HD2 LYS 68 + HG3 LYS 68 OK 94 100 100 94 2.3-2.9 3.0=63, 1.8/3048=12...(58) HD2 LYS 39 + HG2 LYS 39 OK 66 67 100 98 2.2-3.0 3.0=63, 1719/1.8=31...(55) HD3 LYS 39 + HG2 LYS 39 OK 63 64 100 98 2.2-3.0 3.0=63, 1719/1.8=30...(62) HD3 LYS 73 - HG2 LYS 39 far 0 62 0 - 3.9-10.6 HD2 LYS 73 - HG2 LYS 39 far 0 60 0 - 5.4-9.8 HB2 LYS 40 - HG2 LYS 39 far 0 66 0 - 5.6-7.2 HB3 LYS 40 - HG2 LYS 39 far 0 42 0 - 6.3-7.9 HB3 ARG 79 - HG3 LYS 68 far 0 100 0 - 7.0-11.5 HB ILE 76 - HG2 LYS 39 far 0 66 0 - 7.1-9.4 HD3 LYS 73 - HG3 LYS 68 far 0 97 0 - 7.5-12.7 HD2 LYS 73 - HG3 LYS 68 far 0 96 0 - 8.2-12.3 HB ILE 76 - HG3 LYS 68 far 0 100 0 - 9.2-12.6 HB3 LEU 6 - HG2 LYS 39 far 0 67 0 - 9.5-11.7 HB3 LEU 6 - HG3 LYS 68 far 0 100 0 - 9.6-14.0 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 2.0-4.1 3.6=100 HE3 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-4.1 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 41 41 100 100 2.2-4.1 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 33 33 100 100 2.2-4.0 3.5=100 HE3 LYS 73 - HG2 LYS 39 far 0 37 0 - 5.5-11.0 HE2 LYS 66 - HG3 LYS 68 far 0 96 0 - 7.4-11.6 HE3 LYS 66 - HG3 LYS 68 far 0 99 0 - 7.7-10.4 HE3 LYS 66 - HG2 LYS 39 far 0 65 0 - 9.0-14.8 HE2 LYS 66 - HG2 LYS 39 far 0 61 0 - 9.1-13.4 HE3 LYS 73 - HG3 LYS 68 far 0 65 0 - 9.3-13.6 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 2.0-4.1 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-4.1 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 43 43 100 100 2.2-4.1 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 35 35 100 100 2.2-4.0 3.5=100 HE3 LYS 73 - HG2 LYS 39 far 0 34 0 - 5.5-11.0 HE2 LYS 66 - HG3 LYS 68 far 0 98 0 - 7.4-11.6 HE3 LYS 66 - HG3 LYS 68 far 0 100 0 - 7.7-10.4 HE3 LYS 66 - HG2 LYS 39 far 0 66 0 - 9.0-14.8 HE2 LYS 66 - HG2 LYS 39 far 0 62 0 - 9.1-13.4 HE3 LYS 73 - HG3 LYS 68 far 0 61 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (7.90, 1.35, 25.26 ppm; 5.00 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 69 + HG3 LYS 68 OK 100 100 100 100 1.9-5.1 3008/2.9=88, 3020/2.9=87...(22) H GLN 72 + HG3 LYS 68 OK 68 100 75 91 5.3-7.2 9557/2.9=76...(6) H ASP 65 + HG3 LYS 68 OK 56 94 60 100 5.1-7.4 3.0/10267=53...(22) H GLN 72 - HG2 LYS 39 far 0 66 0 - 7.2-9.8 H GLU 69 - HG2 LYS 39 far 0 67 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.13 A): 2 out of 13 assignments used, quality = 1.00: * H LYS 68 + HD2 LYS 68 OK 100 100 100 100 3.7-4.9 7111/3.0=77, 2998/3.5=64...(26) H LYS 68 + HD3 LYS 68 OK 90 100 90 100 3.4-5.1 7111/3.0=77, 2998/3.5=64...(26) H ASP 36 - HD2 LYS 39 far 0 96 0 - 5.9-9.0 H GLU 43 - HD3 LYS 39 far 0 89 0 - 5.9-8.1 H ASP 36 - HD3 LYS 39 far 0 90 0 - 6.0-8.7 H GLU 43 - HD2 LYS 39 far 0 94 0 - 6.4-8.6 H PHE 96 - HD2 LYS 94 far 0 41 0 - 6.8-7.9 H GLU 43 - HD3 LYS 47 far 0 45 0 - 7.0-10.1 H GLU 43 - HD2 LYS 47 far 0 47 0 - 7.2-10.3 H SER 97 - HD2 LYS 94 far 0 36 0 - 7.6-8.1 H HIS 106 - HD2 LYS 68 far 0 73 0 - 8.1-21.7 H HIS 106 - HD3 LYS 68 far 0 73 0 - 8.9-20.3 H LYS 68 - HD2 LYS 39 far 0 96 0 - 9.8-12.5 Violated in 6 structures by 0.03 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 + HD3 LYS 68 OK 100 100 100 100 2.9-4.9 3033/3.0=71, 2990/3.0=60...(70) * HA LYS 68 + HD2 LYS 68 OK 40 100 40 100 2.3-5.5 3033/3.0=71, 2990/3.0=60...(69) HA ARG 19 - HD3 LYS 20 far 5 49 10 - 4.9-8.2 HA ARG 19 - HD2 LYS 20 far 4 44 10 - 4.9-8.1 HA ALA 18 - HD2 LYS 20 far 0 28 0 - 5.8-8.3 HA ALA 18 - HD3 LYS 20 far 0 32 0 - 5.9-8.7 HA ALA 22 - HD3 LYS 20 far 0 40 0 - 8.4-11.2 HA ALA 18 - HD2 LYS 94 far 0 36 0 - 8.6-11.3 HA ALA 22 - HD2 LYS 20 far 0 36 0 - 8.6-11.0 HA ALA 22 - HD2 LYS 94 far 0 46 0 - 8.8-10.8 HA LYS 68 - HD2 LYS 39 far 0 96 0 - 9.9-12.9 HA SER 97 - HD2 LYS 94 far 0 53 0 - 10.0-10.7 Violated in 13 structures by 0.08 A. Peak 3045 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 2.93 A): 6 out of 32 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...(69) HB2 LYS 68 + HD3 LYS 68 OK 94 100 95 99 2.1-3.9 3.5=59, 3.0/3044=20...(69) HB3 LYS 39 + HD2 LYS 39 OK 78 79 100 99 2.0-3.8 3.6=54, 1.8/1686=28...(40) HB3 LYS 39 + HD3 LYS 39 OK 72 73 100 98 2.0-3.7 3.6=54, 1.8/1687=27...(40) HB3 LYS 68 + HD2 LYS 68 OK 67 71 95 99 2.1-3.9 3.5=59, 1.8/3004=15...(66) HB3 LYS 68 + HD3 LYS 68 OK 56 71 80 99 2.3-4.1 3.5=59, 3.0/3044=20...(66) HB3 LYS 90 - HD2 LYS 94 far 0 56 0 - 4.2-9.7 HB2 LYS 90 - HD2 LYS 94 far 0 41 0 - 4.6-9.6 HB2 LEU 42 - HD3 LYS 39 far 0 62 0 - 5.0-6.5 HB2 LEU 42 - HD2 LYS 39 far 0 68 0 - 5.4-7.0 HB3 LYS 90 - HD2 LYS 20 far 0 44 0 - 5.5-10.7 HB2 LYS 90 - HD3 LYS 20 far 0 36 0 - 5.7-11.8 HB2 LYS 90 - HD2 LYS 20 far 0 32 0 - 5.8-11.5 HG2 ARG 46 - HD2 LYS 47 far 0 45 0 - 5.9-9.9 HB ILE 93 - HD2 LYS 94 far 0 31 0 - 6.0-8.2 HB3 LYS 90 - HD3 LYS 20 far 0 49 0 - 6.4-10.6 HG2 ARG 46 - HD3 LYS 47 far 0 42 0 - 6.7-9.3 HB3 LYS 66 - HD3 LYS 68 far 0 88 0 - 6.9-10.0 HB3 LYS 66 - HD2 LYS 68 far 0 88 0 - 7.6-9.7 HB2 LYS 12 - HD3 LYS 20 far 0 36 0 - 8.0-10.9 HG2 ARG 46 - HD2 LYS 39 far 0 91 0 - 8.0-13.7 HB2 LYS 12 - HD2 LYS 20 far 0 32 0 - 8.0-11.1 HG2 ARG 46 - HD3 LYS 39 far 0 85 0 - 8.4-13.1 HB3 LYS 66 - HD2 LYS 39 far 0 80 0 - 8.7-11.3 HB ILE 93 - HD2 LYS 20 far 0 24 0 - 8.9-12.0 HB3 LYS 66 - HD3 LYS 39 far 0 74 0 - 9.0-11.9 HB ILE 93 - HD3 LYS 20 far 0 27 0 - 9.2-11.9 HB2 LEU 42 - HD3 LYS 47 far 0 29 0 - 9.4-12.3 HB3 LYS 12 - HD3 LYS 20 far 0 34 0 - 9.4-12.5 HB3 LYS 12 - HD2 LYS 20 far 0 30 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 73 0 - 9.6-24.5 HB2 LEU 42 - HD2 LYS 47 far 0 30 0 - 9.8-12.4 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 32 assignments used, quality = 1.00: * HB3 LYS 68 + HD2 LYS 68 OK 94 100 95 99 2.1-3.9 3.5=60, 1.8/3004=15...(67) HB3 LYS 39 + HD2 LYS 39 OK 92 93 100 99 2.0-3.8 3.6=56, 1.8/1686=28...(40) HB3 LYS 39 + HD3 LYS 39 OK 86 88 100 99 2.0-3.7 3.6=56, 1.8/1687=28...(40) HB3 LYS 68 + HD3 LYS 68 OK 79 100 80 99 2.3-4.1 3.5=60, 3.0/3044=20...(66) HB2 LYS 68 + HD2 LYS 68 OK 71 71 100 99 2.0-3.8 3.5=60, ~3055=13...(69) HB2 LYS 68 + HD3 LYS 68 OK 67 71 95 99 2.1-3.9 3.5=60, 3.0/3044=20...(69) HB2 LYS 20 + HD3 LYS 20 OK 27 43 65 96 2.3-4.2 3.5=58, ~848=11...(59) HB2 LYS 20 + HD2 LYS 20 OK 26 38 70 97 2.4-4.1 3.5=58, ~848=11...(59) HB2 ARG 19 - HD3 LYS 20 far 4 40 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 36 5 - 3.3-7.2 HB3 LYS 90 - HD2 LYS 94 far 0 29 0 - 4.2-9.7 HB2 GLU 43 - HD2 LYS 47 far 0 26 0 - 5.1-9.7 HB2 GLU 43 - HD3 LYS 47 far 0 25 0 - 5.3-9.1 HB3 LYS 90 - HD2 LYS 20 far 0 22 0 - 5.5-10.7 HB3 LYS 90 - HD3 LYS 20 far 0 25 0 - 6.4-10.6 HB2 GLU 43 - HD3 LYS 39 far 0 55 0 - 6.7-9.8 HB3 LYS 66 - HD3 LYS 68 far 0 99 0 - 6.9-10.0 HG LEU 42 - HD3 LYS 39 far 0 71 0 - 6.9-8.3 HG LEU 42 - HD2 LYS 39 far 0 78 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.2-10.0 HB3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.6-9.7 HB2 LYS 12 - HD3 LYS 20 far 0 49 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 43 0 - 8.0-11.1 HB3 LYS 66 - HD2 LYS 39 far 0 93 0 - 8.7-11.3 HB3 LYS 66 - HD3 LYS 39 far 0 87 0 - 9.0-11.9 HB2 LYS 20 - HD2 LYS 94 far 0 48 0 - 9.1-13.0 HB3 LEU 14 - HD3 LYS 20 far 0 31 0 - 9.2-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 49 0 - 9.4-12.5 HB VAL 54 - HD3 LYS 68 far 0 97 0 - 9.4-13.4 HB3 LEU 14 - HD2 LYS 20 far 0 27 0 - 9.4-12.5 HB3 LYS 12 - HD2 LYS 20 far 0 44 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 100 0 - 9.6-24.5 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 30 assignments used, quality = 1.00: HG3 LYS 68 + HD3 LYS 68 OK 97 100 100 97 2.2-3.0 3.0=76, 3038/1.8=15...(71) * HG3 LYS 68 + HD2 LYS 68 OK 97 100 100 97 2.3-2.9 3.0=76, 3038/1.8=16...(68) HG2 LYS 39 + HD2 LYS 39 OK 95 95 100 99 2.2-3.0 3.0=76, 1.8/1719=34...(62) HG2 LYS 39 + HD3 LYS 39 OK 89 90 100 99 2.2-3.0 3.0=76, 1.8/1720=33...(70) HG2 LYS 94 + HD2 LYS 94 OK 50 54 100 93 2.2-3.0 3.0=75, 2.9/4191=10...(32) HG3 LYS 94 + HD2 LYS 94 OK 32 34 100 92 2.3-3.0 3.0=75, 2.9/4191=10...(32) HB2 LEU 70 - HD2 LYS 39 far 0 84 0 - 4.0-7.0 QB ALA 67 - HD3 LYS 68 far 0 98 0 - 4.3-6.5 HB2 LEU 70 - HD3 LYS 39 far 0 78 0 - 4.7-7.5 QB ALA 67 - HD2 LYS 68 far 0 98 0 - 5.3-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 100 0 - 5.9-9.4 QB ALA 25 - HD2 LYS 94 far 0 54 0 - 6.1-7.5 QB ALA 89 - HD3 LYS 20 far 0 47 0 - 6.8-10.1 HB2 LEU 70 - HD2 LYS 68 far 0 92 0 - 7.3-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 87 0 - 7.4-10.3 HB2 LYS 82 - HD2 LYS 68 far 0 100 0 - 7.5-10.1 HG3 LYS 40 - HD2 LYS 39 far 0 93 0 - 7.6-10.6 QB ALA 89 - HD2 LYS 20 far 0 42 0 - 7.6-10.1 QB ALA 89 - HD2 LYS 94 far 0 54 0 - 7.8-10.7 HB3 LEU 2 - HD3 LYS 47 far 0 41 0 - 8.0-14.2 HB3 LEU 2 - HD2 LYS 47 far 0 43 0 - 8.0-13.2 HB2 LEU 70 - HD3 LYS 68 far 0 92 0 - 8.0-10.7 QB ALA 67 - HD2 LYS 39 far 0 92 0 - 8.1-10.0 HG LEU 14 - HD3 LYS 20 far 0 50 0 - 8.5-13.2 HG3 LYS 40 - HD3 LYS 47 far 0 44 0 - 8.5-13.5 QB ALA 67 - HD3 LYS 39 far 0 86 0 - 8.6-10.2 HG LEU 14 - HD2 LYS 20 far 0 44 0 - 8.7-12.1 QB ALA 25 - HD3 LYS 20 far 0 47 0 - 9.0-11.3 QB ALA 25 - HD2 LYS 20 far 0 42 0 - 9.2-11.2 HG3 LYS 40 - HD2 LYS 47 far 0 46 0 - 9.3-14.3 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 32 assignments used, quality = 1.00: HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) * HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(74) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(74) HE3 LYS 39 + HD2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(33) HE3 LYS 39 + HD3 LYS 39 OK 58 58 100 99 2.2-3.0 3.0=90, 3.5/1720=20...(33) HE3 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(44) HE2 LYS 94 + HD2 LYS 94 OK 53 54 100 99 2.2-3.0 3.0=93, 4206/3.5=14...(44) HE2 LYS 39 + HD2 LYS 39 OK 52 53 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(32) HE2 LYS 20 + HD3 LYS 20 OK 48 50 100 98 2.3-3.0 3.0=89, 941/2.8=9...(49) HE3 LYS 20 + HD3 LYS 20 OK 48 50 100 97 2.3-3.0 3.0=89, 941/2.8=9...(48) HE2 LYS 39 + HD3 LYS 39 OK 47 48 100 99 2.3-3.0 3.0=90, 3.5/1720=20...(32) HE2 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 73 - HD3 LYS 39 far 3 53 5 - 3.2-10.4 HE3 LYS 73 - HD2 LYS 39 far 0 58 0 - 4.0-10.2 HE3 LYS 90 - HD3 LYS 20 far 0 36 0 - 4.5-12.2 HG2 MET 21 - HD2 LYS 94 far 0 36 0 - 5.2-8.0 HG2 MET 21 - HD3 LYS 20 far 0 32 0 - 6.0-9.2 HE3 LYS 90 - HD2 LYS 20 far 0 32 0 - 6.2-12.3 HG2 MET 21 - HD2 LYS 20 far 0 28 0 - 6.6-10.0 HE3 LYS 90 - HD2 LYS 94 far 0 41 0 - 7.7-11.2 HE2 LYS 66 - HD2 LYS 68 far 0 96 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 88 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 93 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 96 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 99 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 90 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 83 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 94 0 - 9.6-14.6 HE3 LYS 73 - HD2 LYS 68 far 0 65 0 - 9.8-14.9 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 32 assignments used, quality = 1.00: HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) * HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(74) HE3 LYS 39 + HD2 LYS 39 OK 67 68 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(35) HE3 LYS 39 + HD3 LYS 39 OK 61 62 100 99 2.2-3.0 3.0=90, 3.5/1720=20...(33) HE2 LYS 39 + HD2 LYS 39 OK 56 56 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(34) HE3 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(44) HE2 LYS 94 + HD2 LYS 94 OK 52 52 100 99 2.2-3.0 3.0=93, 4206/3.5=14...(44) HE2 LYS 39 + HD3 LYS 39 OK 51 51 100 99 2.3-3.0 3.0=90, 3.5/1720=20...(32) HE2 LYS 20 + HD3 LYS 20 OK 48 49 100 98 2.3-3.0 3.0=89, 941/2.8=9...(49) HE3 LYS 20 + HD3 LYS 20 OK 48 49 100 97 2.3-3.0 3.0=89, 941/2.8=9...(48) HE2 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 73 - HD3 LYS 39 far 2 50 5 - 3.2-10.4 HE3 LYS 73 - HD2 LYS 39 far 0 55 0 - 4.0-10.2 HE3 LYS 90 - HD3 LYS 20 far 0 34 0 - 4.5-12.2 HG2 MET 21 - HD2 LYS 94 far 0 34 0 - 5.2-8.0 HG2 MET 21 - HD3 LYS 20 far 0 30 0 - 6.0-9.2 HE3 LYS 90 - HD2 LYS 20 far 0 30 0 - 6.2-12.3 HG2 MET 21 - HD2 LYS 20 far 0 26 0 - 6.6-10.0 HE3 LYS 90 - HD2 LYS 94 far 0 39 0 - 7.7-11.2 HE2 LYS 66 - HD2 LYS 68 far 0 98 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 100 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 89 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 94 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 98 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 100 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 91 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 85 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 96 0 - 9.6-14.6 HE3 LYS 73 - HD2 LYS 68 far 0 61 0 - 9.8-14.9 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 + HD2 LYS 68 OK 100 100 100 100 4.1-5.6 3008/3.5=78, 3020/3.5=78...(21) H GLU 69 + HD3 LYS 68 OK 85 100 85 100 4.5-6.2 3008/3.5=78, 3020/3.5=78...(20) H ASP 65 + HD2 LYS 68 OK 66 94 70 100 4.3-8.0 ~10268=36, 10773/5.9=36...(29) H ASP 65 + HD3 LYS 68 OK 66 94 70 100 3.6-8.0 7052/10242=38, ~10268=36...(29) H GLN 72 - HD2 LYS 68 far 10 100 10 - 4.4-8.4 H GLN 72 - HD3 LYS 68 far 5 100 5 - 5.7-8.4 H GLN 72 - HD2 LYS 39 far 0 95 0 - 7.3-10.6 H GLN 72 - HD3 LYS 39 far 0 89 0 - 8.4-10.9 H GLU 69 - HD2 LYS 39 far 0 96 0 - 8.8-11.6 H GLU 69 - HD3 LYS 39 far 0 90 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.13 A): 2 out of 12 assignments used, quality = 1.00: H LYS 68 + HD2 LYS 68 OK 100 100 100 100 3.7-4.9 7111/3.0=77, 2998/3.5=64...(26) * H LYS 68 + HD3 LYS 68 OK 90 100 90 100 3.4-5.1 7111/3.0=77, 2998/3.5=64...(26) H ASP 36 - HD2 LYS 39 far 0 95 0 - 5.9-9.0 H GLU 43 - HD3 LYS 39 far 0 90 0 - 5.9-8.1 H ASP 36 - HD3 LYS 39 far 0 91 0 - 6.0-8.7 H GLU 43 - HD2 LYS 39 far 0 94 0 - 6.4-8.6 H PHE 96 - HD2 LYS 94 far 0 43 0 - 6.8-7.9 H GLU 43 - HD2 LYS 47 far 0 45 0 - 7.2-10.3 H SER 97 - HD2 LYS 94 far 0 38 0 - 7.6-8.1 H HIS 106 - HD2 LYS 68 far 0 73 0 - 8.1-21.7 H HIS 106 - HD3 LYS 68 far 0 73 0 - 8.9-20.3 H LYS 68 - HD2 LYS 39 far 0 95 0 - 9.8-12.5 Violated in 6 structures by 0.03 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 + HD3 LYS 68 OK 100 100 100 100 2.9-4.9 3033/3.0=71, 2990/3.0=60...(71) HA LYS 68 + HD2 LYS 68 OK 40 100 40 100 2.3-5.5 3033/3.0=71, 2990/3.0=60...(69) HA ARG 19 - HD3 LYS 20 far 5 48 10 - 4.9-8.2 HA ARG 19 - HD2 LYS 20 far 4 42 10 - 4.9-8.1 HA ALA 18 - HD2 LYS 20 far 0 27 0 - 5.8-8.3 HA ALA 18 - HD3 LYS 20 far 0 31 0 - 5.9-8.7 HA ALA 22 - HD3 LYS 20 far 0 39 0 - 8.4-11.2 HA ALA 18 - HD2 LYS 94 far 0 38 0 - 8.6-11.3 HA ALA 22 - HD2 LYS 20 far 0 34 0 - 8.6-11.0 HA ALA 22 - HD2 LYS 94 far 0 48 0 - 8.8-10.8 HA LYS 68 - HD2 LYS 39 far 0 95 0 - 9.9-12.9 HA SER 97 - HD2 LYS 94 far 0 55 0 - 10.0-10.7 Violated in 13 structures by 0.08 A. Peak 3056 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 2.93 A): 6 out of 30 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...(69) * HB2 LYS 68 + HD3 LYS 68 OK 94 100 95 99 2.1-3.9 3.5=59, 3.0/3055=20...(69) HB3 LYS 39 + HD2 LYS 39 OK 78 79 100 99 2.0-3.8 3.6=54, 1.8/1686=28...(40) HB3 LYS 39 + HD3 LYS 39 OK 73 74 100 98 2.0-3.7 3.6=54, 1.8/1687=27...(40) HB3 LYS 68 + HD2 LYS 68 OK 67 71 95 99 2.1-3.9 3.5=59, 1.8/3004=15...(66) HB3 LYS 68 + HD3 LYS 68 OK 56 71 80 99 2.3-4.1 3.5=59, 3.0/3055=20...(66) HB3 LYS 90 - HD2 LYS 94 far 0 58 0 - 4.2-9.7 HB2 LYS 90 - HD2 LYS 94 far 0 43 0 - 4.6-9.6 HB2 LEU 42 - HD3 LYS 39 far 0 63 0 - 5.0-6.5 HB2 LEU 42 - HD2 LYS 39 far 0 67 0 - 5.4-7.0 HB3 LYS 90 - HD2 LYS 20 far 0 42 0 - 5.5-10.7 HB2 LYS 90 - HD3 LYS 20 far 0 34 0 - 5.7-11.8 HB2 LYS 90 - HD2 LYS 20 far 0 30 0 - 5.8-11.5 HG2 ARG 46 - HD2 LYS 47 far 0 42 0 - 5.9-9.9 HB ILE 93 - HD2 LYS 94 far 0 33 0 - 6.0-8.2 HB3 LYS 90 - HD3 LYS 20 far 0 48 0 - 6.4-10.6 HB3 LYS 66 - HD3 LYS 68 far 0 88 0 - 6.9-10.0 HB3 LYS 66 - HD2 LYS 68 far 0 88 0 - 7.6-9.7 HB2 LYS 12 - HD3 LYS 20 far 0 34 0 - 8.0-10.9 HG2 ARG 46 - HD2 LYS 39 far 0 91 0 - 8.0-13.7 HB2 LYS 12 - HD2 LYS 20 far 0 30 0 - 8.0-11.1 HG2 ARG 46 - HD3 LYS 39 far 0 86 0 - 8.4-13.1 HB3 LYS 66 - HD2 LYS 39 far 0 80 0 - 8.7-11.3 HB ILE 93 - HD2 LYS 20 far 0 23 0 - 8.9-12.0 HB3 LYS 66 - HD3 LYS 39 far 0 75 0 - 9.0-11.9 HB ILE 93 - HD3 LYS 20 far 0 26 0 - 9.2-11.9 HB3 LYS 12 - HD3 LYS 20 far 0 33 0 - 9.4-12.5 HB3 LYS 12 - HD2 LYS 20 far 0 29 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 73 0 - 9.6-24.5 HB2 LEU 42 - HD2 LYS 47 far 0 29 0 - 9.8-12.4 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 31 assignments used, quality = 1.00: HB3 LYS 68 + HD2 LYS 68 OK 94 100 95 99 2.1-3.9 3.5=60, 1.8/3004=15...(67) HB3 LYS 39 + HD2 LYS 39 OK 92 93 100 99 2.0-3.8 3.6=56, 1.8/1686=28...(40) HB3 LYS 39 + HD3 LYS 39 OK 88 89 100 99 2.0-3.7 3.6=56, 1.8/1687=28...(40) * HB3 LYS 68 + HD3 LYS 68 OK 79 100 80 99 2.3-4.1 3.5=60, 3.0/3055=20...(66) HB2 LYS 68 + HD2 LYS 68 OK 71 71 100 99 2.0-3.8 3.5=60, ~3055=13...(69) HB2 LYS 68 + HD3 LYS 68 OK 67 71 95 99 2.1-3.9 3.5=60, 3.0/3055=20...(69) HB2 LYS 20 + HD3 LYS 20 OK 26 41 65 96 2.3-4.2 3.5=58, ~848=11...(59) HB2 LYS 20 + HD2 LYS 20 OK 24 36 70 97 2.4-4.1 3.5=58, ~848=11...(59) HB2 ARG 19 - HD3 LYS 20 far 4 39 10 - 3.3-7.4 HB2 ARG 19 - HD2 LYS 20 far 2 34 5 - 3.3-7.2 HB3 LYS 90 - HD2 LYS 94 far 0 30 0 - 4.2-9.7 HB2 GLU 43 - HD2 LYS 47 far 0 25 0 - 5.1-9.7 HB3 LYS 90 - HD2 LYS 20 far 0 21 0 - 5.5-10.7 HB3 LYS 90 - HD3 LYS 20 far 0 24 0 - 6.4-10.6 HB2 GLU 43 - HD3 LYS 39 far 0 56 0 - 6.7-9.8 HB3 LYS 66 - HD3 LYS 68 far 0 99 0 - 6.9-10.0 HG LEU 42 - HD3 LYS 39 far 0 72 0 - 6.9-8.3 HG LEU 42 - HD2 LYS 39 far 0 77 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.2-10.0 HB3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.6-9.7 HB2 LYS 12 - HD3 LYS 20 far 0 47 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 41 0 - 8.0-11.1 HB3 LYS 66 - HD2 LYS 39 far 0 93 0 - 8.7-11.3 HB3 LYS 66 - HD3 LYS 39 far 0 88 0 - 9.0-11.9 HB2 LYS 20 - HD2 LYS 94 far 0 50 0 - 9.1-13.0 HB3 LEU 14 - HD3 LYS 20 far 0 30 0 - 9.2-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 47 0 - 9.4-12.5 HB VAL 54 - HD3 LYS 68 far 0 97 0 - 9.4-13.4 HB3 LEU 14 - HD2 LYS 20 far 0 26 0 - 9.4-12.5 HB3 LYS 12 - HD2 LYS 20 far 0 42 0 - 9.5-12.4 HB3 GLU 104 - HD3 LYS 68 far 0 100 0 - 9.6-24.5 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 2.2-3.0 3.0=76, 3038/1.8=15...(71) HG3 LYS 68 + HD2 LYS 68 OK 97 100 100 97 2.3-2.9 3.0=76, 3038/1.8=16...(68) HG2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=76, 1.8/1719=34...(62) HG2 LYS 39 + HD3 LYS 39 OK 90 91 100 99 2.2-3.0 3.0=76, 1.8/1720=34...(70) HG2 LYS 94 + HD2 LYS 94 OK 52 56 100 93 2.2-3.0 3.0=75, 2.9/4191=10...(32) HG3 LYS 94 + HD2 LYS 94 OK 33 36 100 92 2.3-3.0 3.0=75, 2.9/4191=10...(32) HB2 LEU 70 - HD2 LYS 39 far 0 84 0 - 4.0-7.0 QB ALA 67 - HD3 LYS 68 far 0 98 0 - 4.3-6.5 HB2 LEU 70 - HD3 LYS 39 far 0 79 0 - 4.7-7.5 QB ALA 67 - HD2 LYS 68 far 0 98 0 - 5.3-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 100 0 - 5.9-9.4 QB ALA 25 - HD2 LYS 94 far 0 56 0 - 6.1-7.5 QB ALA 89 - HD3 LYS 20 far 0 46 0 - 6.8-10.1 HB2 LEU 70 - HD2 LYS 68 far 0 92 0 - 7.3-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 88 0 - 7.4-10.3 HB2 LYS 82 - HD2 LYS 68 far 0 100 0 - 7.5-10.1 HG3 LYS 40 - HD2 LYS 39 far 0 93 0 - 7.6-10.6 QB ALA 89 - HD2 LYS 20 far 0 40 0 - 7.6-10.1 QB ALA 89 - HD2 LYS 94 far 0 56 0 - 7.8-10.7 HB3 LEU 2 - HD2 LYS 47 far 0 41 0 - 8.0-13.2 HB2 LEU 70 - HD3 LYS 68 far 0 92 0 - 8.0-10.7 QB ALA 67 - HD2 LYS 39 far 0 92 0 - 8.1-10.0 HG LEU 14 - HD3 LYS 20 far 0 48 0 - 8.5-13.2 QB ALA 67 - HD3 LYS 39 far 0 87 0 - 8.6-10.2 HG LEU 14 - HD2 LYS 20 far 0 42 0 - 8.7-12.1 QB ALA 25 - HD3 LYS 20 far 0 46 0 - 9.0-11.3 QB ALA 25 - HD2 LYS 20 far 0 40 0 - 9.2-11.2 HG3 LYS 40 - HD2 LYS 47 far 0 44 0 - 9.3-14.3 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 32 assignments used, quality = 1.00: * HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(74) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(74) HE3 LYS 39 + HD2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(33) HE3 LYS 39 + HD3 LYS 39 OK 59 59 100 99 2.2-3.0 3.0=90, 3.5/1720=20...(33) HE3 LYS 94 + HD2 LYS 94 OK 58 59 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(44) HE2 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4206/3.5=14...(44) HE2 LYS 39 + HD2 LYS 39 OK 52 52 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(32) HE2 LYS 39 + HD3 LYS 39 OK 48 49 100 99 2.3-3.0 3.0=90, 3.5/1720=20...(32) HE2 LYS 20 + HD3 LYS 20 OK 47 48 100 98 2.3-3.0 3.0=89, 941/2.8=9...(49) HE3 LYS 20 + HD3 LYS 20 OK 46 48 100 97 2.3-3.0 3.0=89, 941/2.8=9...(48) HE2 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 73 - HD3 LYS 39 far 3 54 5 - 3.2-10.4 HE3 LYS 73 - HD2 LYS 39 far 0 58 0 - 4.0-10.2 HE3 LYS 90 - HD3 LYS 20 far 0 34 0 - 4.5-12.2 HG2 MET 21 - HD2 LYS 94 far 0 38 0 - 5.2-8.0 HG2 MET 21 - HD3 LYS 20 far 0 31 0 - 6.0-9.2 HE3 LYS 90 - HD2 LYS 20 far 0 30 0 - 6.2-12.3 HG2 MET 21 - HD2 LYS 20 far 0 27 0 - 6.6-10.0 HE3 LYS 90 - HD2 LYS 94 far 0 43 0 - 7.7-11.2 HE2 LYS 66 - HD2 LYS 68 far 0 96 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 89 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 93 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 96 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 99 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 89 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 84 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 94 0 - 9.6-14.6 HE3 LYS 73 - HD2 LYS 68 far 0 65 0 - 9.8-14.9 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 32 assignments used, quality = 1.00: HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) * HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(75) HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=9...(74) HE3 LYS 39 + HD2 LYS 39 OK 67 67 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(35) HE3 LYS 39 + HD3 LYS 39 OK 62 63 100 99 2.2-3.0 3.0=90, 3.5/1720=20...(33) HE3 LYS 94 + HD2 LYS 94 OK 58 58 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(44) HE2 LYS 39 + HD2 LYS 39 OK 56 56 100 99 2.2-3.0 3.0=90, 3.5/1719=20...(34) HE2 LYS 94 + HD2 LYS 94 OK 54 55 100 99 2.2-3.0 3.0=93, 4206/3.5=14...(44) HE2 LYS 39 + HD3 LYS 39 OK 52 52 100 99 2.3-3.0 3.0=90, 3.5/1720=20...(32) HE2 LYS 20 + HD3 LYS 20 OK 46 48 100 98 2.3-3.0 3.0=89, 941/2.8=9...(49) HE3 LYS 20 + HD3 LYS 20 OK 46 47 100 97 2.3-3.0 3.0=89, 941/2.8=9...(48) HE2 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=9...(48) HE3 LYS 73 - HD3 LYS 39 far 3 50 5 - 3.2-10.4 HE3 LYS 73 - HD2 LYS 39 far 0 54 0 - 4.0-10.2 HE3 LYS 90 - HD3 LYS 20 far 0 33 0 - 4.5-12.2 HG2 MET 21 - HD2 LYS 94 far 0 36 0 - 5.2-8.0 HG2 MET 21 - HD3 LYS 20 far 0 29 0 - 6.0-9.2 HE3 LYS 90 - HD2 LYS 20 far 0 29 0 - 6.2-12.3 HG2 MET 21 - HD2 LYS 20 far 0 25 0 - 6.6-10.0 HE3 LYS 90 - HD2 LYS 94 far 0 40 0 - 7.7-11.2 HE2 LYS 66 - HD2 LYS 68 far 0 98 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 100 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 90 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 94 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 98 0 - 8.8-13.0 HE3 LYS 66 - HD3 LYS 68 far 0 100 0 - 9.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 91 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 86 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 96 0 - 9.6-14.6 HE3 LYS 73 - HD2 LYS 68 far 0 61 0 - 9.8-14.9 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 + HD2 LYS 68 OK 100 100 100 100 4.1-5.6 3008/3.5=78, 3020/3.5=78...(21) * H GLU 69 + HD3 LYS 68 OK 85 100 85 100 4.5-6.2 3008/3.5=78, 3020/3.5=78...(20) H ASP 65 + HD3 LYS 68 OK 66 94 70 100 3.6-8.0 7052/10242=39, ~10268=36...(29) H ASP 65 + HD2 LYS 68 OK 66 94 70 100 4.3-8.0 ~10268=36, 10773/5.9=36...(29) H GLN 72 - HD2 LYS 68 far 10 100 10 - 4.4-8.4 H GLN 72 - HD3 LYS 68 far 5 100 5 - 5.7-8.4 H GLN 72 - HD2 LYS 39 far 0 94 0 - 7.3-10.6 H GLN 72 - HD3 LYS 39 far 0 90 0 - 8.4-10.9 H GLU 69 - HD2 LYS 39 far 0 95 0 - 8.8-11.6 H GLU 69 - HD3 LYS 39 far 0 91 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 3065 from cnoeabs.peaks (8.19, 2.91, 41.80 ppm; 5.77 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 68 + HE2 LYS 68 OK 100 100 100 100 3.5-6.6 7111/3.6=97, 3032/3.6=87...(25) H LYS 68 + HE3 LYS 68 OK 95 100 95 100 4.0-6.8 7111/3.6=97, 3032/3.6=87...(24) H LYS 68 - HE3 LYS 66 far 15 98 15 - 6.3-8.7 H PHE 96 - HE3 LYS 94 far 4 84 5 - 6.4-9.6 H PHE 96 - HE2 LYS 94 far 4 78 5 - 6.6-8.6 H ASP 36 - HE2 LYS 66 far 0 92 0 - 6.8-13.6 H SER 97 - HE3 LYS 94 far 0 77 0 - 7.1-9.4 H LYS 68 - HE2 LYS 66 far 0 92 0 - 7.2-8.9 H SER 97 - HE2 LYS 94 far 0 72 0 - 7.3-9.2 H ASP 36 - HE3 LYS 66 far 0 98 0 - 7.8-12.8 H HIS 106 - HE3 LYS 68 far 0 73 0 - 8.1-18.9 H HIS 106 - HE2 LYS 68 far 0 73 0 - 9.3-20.4 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 3.46 A): 6 out of 36 assignments used, quality = 1.00: * HB2 LYS 68 + HE2 LYS 68 OK 89 100 90 99 2.4-4.4 5.0=33, 3004/3.0=14...(68) HB2 LYS 68 + HE3 LYS 68 OK 84 100 85 99 2.2-4.5 5.0=33, 3004/3.0=14...(68) HB3 LYS 68 + HE2 LYS 68 OK 42 71 60 98 3.3-4.9 5.0=33, 1.8/3007=13...(64) HB3 LYS 68 + HE3 LYS 68 OK 42 71 60 98 3.1-4.9 5.0=33, 1.8/3007=13...(64) HB3 LYS 66 + HE3 LYS 66 OK 38 84 45 100 3.9-5.1 4.7=39, 2904/2.9=33...(43) HB3 LYS 90 + HE3 LYS 90 OK 33 68 50 98 3.6-5.3 4.8=37, 3941/3.0=30...(31) HB2 LYS 90 - HE3 LYS 90 poor 20 50 40 98 3.6-5.5 4.8=37, 3930/3.0=25...(37) HB3 LYS 66 - HE2 LYS 66 poor 19 76 25 - 3.7-5.2 HB3 LYS 90 - HE3 LYS 94 far 0 100 0 - 4.7-10.0 HB2 LYS 90 - HE2 LYS 20 far 0 84 0 - 4.8-12.3 HB3 LYS 90 - HE2 LYS 20 far 0 100 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 97 0 - 5.2-10.0 HB3 LYS 90 - HE3 LYS 20 far 0 100 0 - 5.5-11.3 HB2 LYS 90 - HE3 LYS 94 far 0 84 0 - 5.5-10.9 HB2 LYS 90 - HE2 LYS 94 far 0 78 0 - 5.6-10.7 HB2 LYS 90 - HE3 LYS 20 far 0 83 0 - 5.7-12.1 HB ILE 93 - HE2 LYS 94 far 0 63 0 - 6.2-8.8 HB ILE 93 - HE3 LYS 94 far 0 67 0 - 6.7-9.0 HB ILE 93 - HE3 LYS 90 far 0 39 0 - 6.8-9.1 HB3 LYS 66 - HE2 LYS 68 far 0 88 0 - 7.1-11.4 HB2 GLU 88 - HE3 LYS 90 far 0 47 0 - 7.1-9.3 HB3 LYS 68 - HE3 LYS 66 far 0 67 0 - 7.3-11.1 HB3 LYS 66 - HE3 LYS 68 far 0 88 0 - 7.4-11.2 HB2 LYS 12 - HE3 LYS 20 far 0 83 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 84 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 60 0 - 7.9-11.4 HB2 LYS 68 - HE3 LYS 66 far 0 98 0 - 8.1-11.5 HB3 LEU 57 - HE3 LYS 90 far 0 63 0 - 8.1-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 83 0 - 8.5-14.5 HB2 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.7-11.9 HB ILE 93 - HE2 LYS 20 far 0 67 0 - 9.0-12.2 HB3 LYS 39 - HE2 LYS 66 far 0 75 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 80 0 - 9.3-14.0 HB ILE 93 - HE3 LYS 20 far 0 67 0 - 9.4-12.6 HB3 LYS 12 - HE2 LYS 20 far 0 80 0 - 9.5-13.8 HB2 LYS 12 - HE3 LYS 90 far 0 50 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 3.48 A): 8 out of 34 assignments used, quality = 1.00: HB2 LYS 20 + HE2 LYS 20 OK 78 94 85 98 2.2-5.1 4.7=40, 4.0/6313=15...(89) HB2 LYS 20 + HE3 LYS 20 OK 78 94 85 98 2.0-5.2 4.7=40, 4.0/6313=14...(88) HB3 LYS 68 + HE3 LYS 68 OK 64 100 65 99 3.1-4.9 5.0=34, 1.8/3007=13...(64) HB2 LYS 68 + HE2 LYS 68 OK 63 71 90 99 2.4-4.4 5.0=34, 2.9/4267=13...(68) HB2 LYS 68 + HE3 LYS 68 OK 63 71 90 99 2.2-4.5 5.0=34, 2.9/4267=13...(68) * HB3 LYS 68 + HE2 LYS 68 OK 59 100 60 99 3.3-4.9 5.0=34, 3010/7113=14...(64) HB3 LYS 66 + HE3 LYS 66 OK 48 96 50 100 3.9-5.1 4.7=40, 2904/2.9=40...(44) HB3 LYS 66 + HE2 LYS 66 OK 22 89 25 100 3.7-5.2 4.7=40, 2904/2.9=40...(42) HB3 LYS 90 - HE3 LYS 90 poor 20 36 55 - 3.6-5.3 HB2 ARG 19 - HE2 LYS 20 far 0 91 0 - 4.4-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 63 0 - 4.7-10.0 HB3 LYS 90 - HE2 LYS 20 far 0 63 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 59 0 - 5.2-10.0 HB2 ARG 19 - HE3 LYS 20 far 0 90 0 - 5.4-9.2 HB3 LYS 90 - HE3 LYS 20 far 0 63 0 - 5.5-11.3 HB3 LEU 14 - HE3 LYS 90 far 0 44 0 - 5.7-11.8 HB3 LYS 66 - HE2 LYS 68 far 0 99 0 - 7.1-11.4 HB2 LYS 20 - HE3 LYS 90 far 0 59 0 - 7.2-11.1 HB3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.3-11.1 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.4-11.2 HB2 LYS 12 - HE3 LYS 20 far 0 99 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 100 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.9-11.4 HB2 LYS 68 - HE3 LYS 66 far 0 67 0 - 8.1-11.5 HB2 ARG 19 - HE3 LYS 90 far 0 56 0 - 8.3-14.1 HB2 LYS 20 - HE2 LYS 94 far 0 89 0 - 8.3-14.3 HB3 LYS 39 - HE3 LYS 66 far 0 96 0 - 8.5-14.5 HB2 LYS 68 - HE2 LYS 66 far 0 60 0 - 8.7-11.9 HB2 LYS 20 - HE3 LYS 94 far 0 94 0 - 8.7-14.1 HB3 LYS 39 - HE2 LYS 66 far 0 90 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 100 0 - 9.3-14.0 HB3 LYS 12 - HE2 LYS 20 far 0 100 0 - 9.5-13.8 HB3 LEU 14 - HE2 LYS 20 far 0 75 0 - 9.7-13.9 HB2 LYS 12 - HE3 LYS 90 far 0 67 0 - 9.9-16.6 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 + HE2 LYS 68 OK 94 99 100 95 2.2-3.0 3.0=73, 3036/3.6=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 94 99 100 95 2.2-3.0 3.0=73, 3036/3.6=8...(58) HD2 LYS 68 + HE2 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(58) HD2 LYS 94 + HE3 LYS 94 OK 87 94 100 92 2.2-3.0 3.0=76, 3.5/4266=9...(31) HD2 LYS 94 + HE2 LYS 94 OK 82 89 100 92 2.2-3.0 3.0=76, 3.5/4206=12...(31) * HG2 LYS 68 + HE2 LYS 68 OK 69 100 75 91 2.1-4.1 3.6=42, 1.8/4267=10...(60) HD3 LYS 20 + HE2 LYS 20 OK 64 73 100 87 2.3-3.0 3.0=73, 2.8/941=8...(33) HD3 LYS 20 + HE3 LYS 20 OK 63 73 100 87 2.3-3.0 3.0=73, 2.8/941=8...(32) HD2 LYS 20 + HE2 LYS 20 OK 59 67 100 87 2.2-3.0 3.0=73, 2.8/941=8...(32) HD2 LYS 20 + HE3 LYS 20 OK 58 67 100 87 2.2-3.0 3.0=73, 2.8/941=8...(32) HG3 LYS 20 + HE2 LYS 20 OK 55 73 85 89 2.1-4.2 3.6=43, 1.8/941=10...(56) HG3 LYS 20 + HE3 LYS 20 OK 48 73 75 89 2.2-4.1 3.6=43, 1.8/941=10...(57) HG2 LYS 68 + HE3 LYS 68 OK 46 100 50 92 2.0-4.2 3.6=42, 1.8/4267=10...(61) HD3 LYS 20 - HE3 LYS 90 far 0 43 0 - 4.5-12.2 HG3 LYS 20 - HE3 LYS 90 far 0 43 0 - 5.1-12.5 HD2 LYS 73 - HE3 LYS 66 far 0 81 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 39 0 - 6.2-12.3 HB3 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 76 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 84 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 73 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 98 0 - 7.4-11.7 HD2 LYS 94 - HE3 LYS 90 far 0 59 0 - 7.7-11.2 HD3 LYS 73 - HE2 LYS 68 far 0 88 0 - 7.7-14.2 HD2 LYS 68 - HE2 LYS 66 far 0 89 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 96 0 - 7.9-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 98 0 - 8.5-13.0 HD2 LYS 73 - HE2 LYS 68 far 0 85 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 66 far 0 95 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 90 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 96 0 - 9.1-12.4 HD3 LYS 73 - HE3 LYS 68 far 0 88 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 88 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 73 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 92 0 - 9.6-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 68 0 - 9.7-16.3 HD2 LYS 73 - HE3 LYS 68 far 0 85 0 - 9.9-14.4 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 35 assignments used, quality = 1.00: * HG3 LYS 68 + HE2 LYS 68 OK 100 100 100 100 2.0-4.1 3.6=90, 3033/6.3=17...(80) HG3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.0-4.1 3.6=90, 3033/6.3=17...(81) HG2 LYS 94 + HE3 LYS 94 OK 97 99 100 99 2.4-4.2 3.9=72, 2.9/4266=18...(48) HG2 LYS 94 + HE2 LYS 94 OK 93 95 100 98 2.1-4.1 3.9=72, 2.9/4206=25...(45) HG3 LYS 94 + HE3 LYS 94 OK 72 73 100 98 2.4-4.2 3.9=72, 2.9/4266=18...(48) HG3 LYS 94 + HE2 LYS 94 OK 67 68 100 98 2.0-3.7 3.9=72, 2.9/4206=25...(45) QB ALA 89 - HE3 LYS 90 poor 16 65 25 - 3.1-7.0 QB ALA 25 - HE2 LYS 94 far 5 95 5 - 4.4-8.5 HG LEU 14 - HE3 LYS 90 far 3 68 5 - 3.7-9.7 HB2 LEU 70 - HE3 LYS 66 far 0 88 0 - 4.8-10.6 QB ALA 67 - HE2 LYS 68 far 0 98 0 - 4.8-7.7 QB ALA 67 - HE3 LYS 68 far 0 98 0 - 5.3-7.8 QB ALA 25 - HE3 LYS 94 far 0 99 0 - 5.4-8.1 HB2 LEU 70 - HE2 LYS 66 far 0 80 0 - 6.0-10.0 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 6.0-10.8 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 6.4-11.0 QB ALA 67 - HE3 LYS 66 far 0 95 0 - 6.4-8.1 QB ALA 67 - HE2 LYS 66 far 0 88 0 - 6.8-8.1 HG3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.4-11.6 QB ALA 89 - HE2 LYS 20 far 0 99 0 - 7.5-11.4 QB ALA 89 - HE3 LYS 20 far 0 99 0 - 7.5-11.0 HG3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.7-10.4 HG3 LYS 94 - HE3 LYS 90 far 0 43 0 - 8.3-12.0 QB ALA 89 - HE3 LYS 94 far 0 99 0 - 8.6-11.4 QB ALA 25 - HE3 LYS 20 far 0 99 0 - 8.8-11.9 QB ALA 89 - HE2 LYS 94 far 0 95 0 - 8.8-11.7 HB2 LEU 70 - HE2 LYS 68 far 0 92 0 - 8.9-11.7 HG2 LYS 39 - HE3 LYS 66 far 0 98 0 - 9.0-14.8 HG LEU 14 - HE2 LYS 20 far 0 100 0 - 9.0-13.5 HG2 LYS 94 - HE3 LYS 90 far 0 65 0 - 9.0-11.8 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 9.1-11.7 HG2 LYS 39 - HE2 LYS 66 far 0 91 0 - 9.1-13.4 QB ALA 25 - HE3 LYS 90 far 0 65 0 - 9.1-11.4 QB ALA 25 - HE2 LYS 20 far 0 99 0 - 9.3-11.7 HG LEU 14 - HE3 LYS 20 far 0 100 0 - 9.4-13.1 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 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) HD3 LYS 68 + HE3 LYS 68 OK 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) * HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD3 LYS 20 + HE2 LYS 20 OK 78 89 100 87 2.3-3.0 3.0=73, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 78 89 100 87 2.3-3.0 3.0=73, 2.8/941=8...(34) HD2 LYS 20 + HE2 LYS 20 OK 75 85 100 88 2.2-3.0 3.0=73, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 74 85 100 87 2.2-3.0 3.0=73, 2.8/941=8...(33) HD2 LYS 94 + HE3 LYS 94 OK 74 81 100 92 2.2-3.0 3.0=76, 3.5/4266=9...(29) HD2 LYS 94 + HE2 LYS 94 OK 69 75 100 92 2.2-3.0 3.0=76, 3.5/4206=12...(30) HG2 LYS 68 + HE2 LYS 68 OK 68 99 75 91 2.1-4.1 3.6=42, 1.8/4267=10...(60) HG3 LYS 20 + HE2 LYS 20 OK 68 89 85 89 2.1-4.2 3.6=43, 1.8/941=10...(57) HG3 LYS 20 + HE3 LYS 20 OK 59 89 75 89 2.2-4.1 3.6=43, 1.8/941=10...(57) HG2 LYS 68 + HE3 LYS 68 OK 45 99 50 92 2.0-4.2 3.6=42, 1.8/4267=10...(61) HB3 ARG 91 - HE3 LYS 90 far 0 45 0 - 3.7-9.0 HB3 ARG 91 - HE2 LYS 94 far 0 72 0 - 4.4-9.6 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.5-12.2 HB3 ARG 91 - HE3 LYS 94 far 0 77 0 - 4.6-8.8 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-12.5 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 52 0 - 6.2-12.3 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 87 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 96 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 89 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.4-11.7 HD2 LYS 94 - HE3 LYS 90 far 0 48 0 - 7.7-11.2 HD3 LYS 73 - HE2 LYS 68 far 0 98 0 - 7.7-14.2 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.9-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 95 0 - 8.5-13.0 HD2 LYS 73 - HE2 LYS 68 far 0 96 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 66 far 0 98 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 9.1-12.4 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 92 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 89 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 88 0 - 9.6-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 84 0 - 9.7-16.3 HD2 LYS 73 - HE3 LYS 68 far 0 96 0 - 9.9-14.4 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 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) HD3 LYS 68 + HE3 LYS 68 OK 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD3 LYS 20 + HE2 LYS 20 OK 77 88 100 87 2.3-3.0 3.0=73, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 76 88 100 87 2.3-3.0 3.0=73, 2.8/941=8...(33) HD2 LYS 94 + HE3 LYS 94 OK 76 82 100 92 2.2-3.0 3.0=76, 3.5/4266=9...(30) HD2 LYS 20 + HE2 LYS 20 OK 73 84 100 88 2.2-3.0 3.0=73, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 73 83 100 87 2.2-3.0 3.0=73, 2.8/941=8...(33) HD2 LYS 94 + HE2 LYS 94 OK 71 77 100 92 2.2-3.0 3.0=76, 3.5/4206=12...(30) HG2 LYS 68 + HE2 LYS 68 OK 68 99 75 91 2.1-4.1 3.6=42, 1.8/4267=10...(60) HG3 LYS 20 + HE2 LYS 20 OK 67 88 85 89 2.1-4.2 3.6=43, 1.8/941=10...(57) HG3 LYS 20 + HE3 LYS 20 OK 58 88 75 89 2.2-4.1 3.6=43, 1.8/941=10...(57) HG2 LYS 68 + HE3 LYS 68 OK 45 99 50 92 2.0-4.2 3.6=42, 1.8/4267=10...(61) HB3 ARG 91 - HE3 LYS 90 far 0 44 0 - 3.7-9.0 HB3 ARG 91 - HE2 LYS 94 far 0 70 0 - 4.4-9.6 HD3 LYS 20 - HE3 LYS 90 far 0 54 0 - 4.5-12.2 HB3 ARG 91 - HE3 LYS 94 far 0 75 0 - 4.6-8.8 HG3 LYS 20 - HE3 LYS 90 far 0 54 0 - 5.1-12.5 HD2 LYS 73 - HE3 LYS 66 far 0 92 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 50 0 - 6.2-12.3 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 96 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 90 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.4-11.7 HD2 LYS 94 - HE3 LYS 90 far 0 49 0 - 7.7-11.2 HD3 LYS 73 - HE2 LYS 68 far 0 97 0 - 7.7-14.2 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.9-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 96 0 - 8.5-13.0 HD2 LYS 73 - HE2 LYS 68 far 0 96 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 66 far 0 98 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 9.1-12.4 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 92 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 88 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 89 0 - 9.6-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 83 0 - 9.7-16.3 HD2 LYS 73 - HE3 LYS 68 far 0 95 0 - 9.9-14.4 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 11 assignments used, quality = 1.00: * H GLU 69 + HE2 LYS 68 OK 95 100 95 100 3.6-7.0 3008/5.0=79, 3020/5.0=79...(19) H GLU 69 + HE3 LYS 68 OK 95 100 95 100 4.2-7.2 3008/5.0=79, 3020/5.0=79...(17) H ASP 65 + HE2 LYS 68 OK 51 94 55 100 3.8-8.6 3.0/10270=47...(19) H ASP 65 + HE3 LYS 66 OK 49 90 60 90 5.3-8.4 7064/7.2=51, 9492/4.7=47...(6) H ASP 65 + HE3 LYS 68 OK 37 94 40 100 3.8-9.0 3.0/10270=42...(18) H ASP 65 + HE2 LYS 66 OK 37 82 50 89 6.1-8.1 7064/7.2=51, 9492/4.7=47...(5) H GLN 72 + HE3 LYS 68 OK 32 100 35 91 6.1-9.5 9557/5.0=71, 2996/6.3=30...(5) H GLU 69 + HE3 LYS 66 OK 29 98 30 98 5.3-8.2 9537/3.6=79, 2881/6.1=65...(8) H GLU 69 + HE2 LYS 66 OK 27 92 30 98 6.3-8.2 9537/3.6=79, 2881/6.1=65...(8) H GLN 72 - HE2 LYS 68 poor 20 100 20 - 5.6-9.0 H GLN 72 - HE3 LYS 66 far 0 97 0 - 8.3-12.7 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (8.19, 2.91, 41.80 ppm; 5.77 A): 2 out of 12 assignments used, quality = 1.00: H LYS 68 + HE2 LYS 68 OK 100 100 100 100 3.5-6.6 7111/3.6=97, 3032/3.6=87...(25) * H LYS 68 + HE3 LYS 68 OK 95 100 95 100 4.0-6.8 7111/3.6=97, 3032/3.6=87...(24) H LYS 68 - HE3 LYS 66 far 15 99 15 - 6.3-8.7 H PHE 96 - HE3 LYS 94 far 4 83 5 - 6.4-9.6 H PHE 96 - HE2 LYS 94 far 4 76 5 - 6.6-8.6 H ASP 36 - HE2 LYS 66 far 0 94 0 - 6.8-13.6 H SER 97 - HE3 LYS 94 far 0 77 0 - 7.1-9.4 H LYS 68 - HE2 LYS 66 far 0 95 0 - 7.2-8.9 H SER 97 - HE2 LYS 94 far 0 70 0 - 7.3-9.2 H ASP 36 - HE3 LYS 66 far 0 99 0 - 7.8-12.8 H HIS 106 - HE3 LYS 68 far 0 73 0 - 8.1-18.9 H HIS 106 - HE2 LYS 68 far 0 73 0 - 9.3-20.4 Violated in 0 structures by 0.00 A. Peak 3078 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 3.46 A): 6 out of 36 assignments used, quality = 1.00: HB2 LYS 68 + HE2 LYS 68 OK 89 100 90 99 2.4-4.4 5.0=33, 3004/3.0=14...(68) * HB2 LYS 68 + HE3 LYS 68 OK 84 100 85 99 2.2-4.5 5.0=33, 3004/3.0=14...(68) HB3 LYS 68 + HE3 LYS 68 OK 42 71 60 98 3.1-4.9 5.0=33, 1.8/3007=13...(64) HB3 LYS 68 + HE2 LYS 68 OK 42 71 60 98 3.3-4.9 5.0=33, 1.8/3007=13...(64) HB3 LYS 66 + HE3 LYS 66 OK 38 86 45 100 3.9-5.1 4.7=39, 2904/2.9=33...(43) HB3 LYS 90 + HE3 LYS 90 OK 30 62 50 97 3.6-5.3 4.8=37, 3941/3.0=30...(31) HB3 LYS 66 - HE2 LYS 66 poor 20 79 25 - 3.7-5.2 HB2 LYS 90 - HE3 LYS 90 poor 18 46 40 - 3.6-5.5 HB3 LYS 90 - HE3 LYS 94 far 0 100 0 - 4.7-10.0 HB2 LYS 90 - HE2 LYS 20 far 0 83 0 - 4.8-12.3 HB3 LYS 90 - HE2 LYS 20 far 0 100 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 95 0 - 5.2-10.0 HB3 LYS 90 - HE3 LYS 20 far 0 99 0 - 5.5-11.3 HB2 LYS 90 - HE3 LYS 94 far 0 83 0 - 5.5-10.9 HB2 LYS 90 - HE2 LYS 94 far 0 76 0 - 5.6-10.7 HB2 LYS 90 - HE3 LYS 20 far 0 83 0 - 5.7-12.1 HB ILE 93 - HE2 LYS 94 far 0 60 0 - 6.2-8.8 HB ILE 93 - HE3 LYS 94 far 0 67 0 - 6.7-9.0 HB ILE 93 - HE3 LYS 90 far 0 35 0 - 6.8-9.1 HB3 LYS 66 - HE2 LYS 68 far 0 88 0 - 7.1-11.4 HB2 GLU 88 - HE3 LYS 90 far 0 42 0 - 7.1-9.3 HB3 LYS 68 - HE3 LYS 66 far 0 69 0 - 7.3-11.1 HB3 LYS 66 - HE3 LYS 68 far 0 88 0 - 7.4-11.2 HB2 LYS 12 - HE3 LYS 20 far 0 83 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 83 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 63 0 - 7.9-11.4 HB2 LYS 68 - HE3 LYS 66 far 0 99 0 - 8.1-11.5 HB3 LEU 57 - HE3 LYS 90 far 0 58 0 - 8.1-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 84 0 - 8.5-14.5 HB2 LYS 68 - HE2 LYS 66 far 0 95 0 - 8.7-11.9 HB ILE 93 - HE2 LYS 20 far 0 67 0 - 9.0-12.2 HB3 LYS 39 - HE2 LYS 66 far 0 78 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 79 0 - 9.3-14.0 HB ILE 93 - HE3 LYS 20 far 0 66 0 - 9.4-12.6 HB3 LYS 12 - HE2 LYS 20 far 0 80 0 - 9.5-13.8 HB2 LYS 12 - HE3 LYS 90 far 0 46 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3079 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 3.48 A): 8 out of 34 assignments used, quality = 1.00: HB2 LYS 20 + HE2 LYS 20 OK 78 93 85 98 2.2-5.1 4.7=40, 4.0/6313=15...(88) HB2 LYS 20 + HE3 LYS 20 OK 77 93 85 98 2.0-5.2 4.7=40, 4.0/6313=14...(88) * HB3 LYS 68 + HE3 LYS 68 OK 64 100 65 99 3.1-4.9 5.0=34, 1.8/3007=13...(64) HB2 LYS 68 + HE3 LYS 68 OK 63 71 90 99 2.2-4.5 5.0=34, 2.9/4267=13...(68) HB2 LYS 68 + HE2 LYS 68 OK 63 71 90 99 2.4-4.4 5.0=34, 2.9/4267=13...(68) HB3 LYS 68 + HE2 LYS 68 OK 59 100 60 99 3.3-4.9 5.0=34, 3010/7114=14...(65) HB3 LYS 66 + HE3 LYS 66 OK 48 97 50 100 3.9-5.1 4.7=40, 2904/2.9=40...(44) HB3 LYS 66 + HE2 LYS 66 OK 23 92 25 100 3.7-5.2 4.7=40, 2904/2.9=40...(42) HB3 LYS 90 - HE3 LYS 90 poor 18 33 55 - 3.6-5.3 HB2 ARG 19 - HE2 LYS 20 far 0 90 0 - 4.4-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 63 0 - 4.7-10.0 HB3 LYS 90 - HE2 LYS 20 far 0 63 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 57 0 - 5.2-10.0 HB2 ARG 19 - HE3 LYS 20 far 0 89 0 - 5.4-9.2 HB3 LYS 90 - HE3 LYS 20 far 0 62 0 - 5.5-11.3 HB3 LEU 14 - HE3 LYS 90 far 0 40 0 - 5.7-11.8 HB3 LYS 66 - HE2 LYS 68 far 0 99 0 - 7.1-11.4 HB2 LYS 20 - HE3 LYS 90 far 0 54 0 - 7.2-11.1 HB3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.3-11.1 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.4-11.2 HB2 LYS 12 - HE3 LYS 20 far 0 99 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 99 0 - 7.9-12.9 HB3 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.9-11.4 HB2 LYS 68 - HE3 LYS 66 far 0 69 0 - 8.1-11.5 HB2 ARG 19 - HE3 LYS 90 far 0 51 0 - 8.3-14.1 HB2 LYS 20 - HE2 LYS 94 far 0 87 0 - 8.3-14.3 HB3 LYS 39 - HE3 LYS 66 far 0 98 0 - 8.5-14.5 HB2 LYS 68 - HE2 LYS 66 far 0 63 0 - 8.7-11.9 HB2 LYS 20 - HE3 LYS 94 far 0 94 0 - 8.7-14.1 HB3 LYS 39 - HE2 LYS 66 far 0 92 0 - 9.2-14.2 HB3 LYS 12 - HE3 LYS 20 far 0 99 0 - 9.3-14.0 HB3 LYS 12 - HE2 LYS 20 far 0 100 0 - 9.5-13.8 HB3 LEU 14 - HE2 LYS 20 far 0 74 0 - 9.7-13.9 HB2 LYS 12 - HE3 LYS 90 far 0 61 0 - 9.9-16.6 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 95 2.2-3.0 3.0=73, 3036/3.6=8...(58) HD3 LYS 68 + HE2 LYS 68 OK 94 99 100 95 2.2-3.0 3.0=73, 3036/3.6=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(58) HD2 LYS 68 + HE2 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(58) HD2 LYS 94 + HE3 LYS 94 OK 86 94 100 92 2.2-3.0 3.0=76, 3.5/4266=9...(31) HD2 LYS 94 + HE2 LYS 94 OK 80 87 100 92 2.2-3.0 3.0=76, 3.5/4206=12...(31) HG2 LYS 68 + HE2 LYS 68 OK 69 100 75 92 2.1-4.1 3.6=42, 1.8/4267=10...(61) HD3 LYS 20 + HE2 LYS 20 OK 63 73 100 87 2.3-3.0 3.0=73, 2.8/941=8...(33) HD3 LYS 20 + HE3 LYS 20 OK 63 72 100 87 2.3-3.0 3.0=73, 2.8/941=8...(32) HD2 LYS 20 + HE2 LYS 20 OK 58 67 100 87 2.2-3.0 3.0=73, 2.8/941=8...(32) HD2 LYS 20 + HE3 LYS 20 OK 58 66 100 87 2.2-3.0 3.0=73, 2.8/941=8...(32) HG3 LYS 20 + HE2 LYS 20 OK 55 73 85 89 2.1-4.2 3.6=43, 1.8/941=10...(56) HG3 LYS 20 + HE3 LYS 20 OK 48 72 75 89 2.2-4.1 3.6=43, 1.8/941=10...(57) * HG2 LYS 68 + HE3 LYS 68 OK 46 100 50 92 2.0-4.2 3.6=42, 1.8/4267=10...(61) HD3 LYS 20 - HE3 LYS 90 far 0 39 0 - 4.5-12.2 HG3 LYS 20 - HE3 LYS 90 far 0 39 0 - 5.1-12.5 HD2 LYS 73 - HE3 LYS 66 far 0 83 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 35 0 - 6.2-12.3 HB3 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 79 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 86 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 76 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 98 0 - 7.4-11.7 HD2 LYS 94 - HE3 LYS 90 far 0 54 0 - 7.7-11.2 HD3 LYS 73 - HE2 LYS 68 far 0 88 0 - 7.7-14.2 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 97 0 - 7.9-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 99 0 - 8.5-13.0 HD2 LYS 73 - HE2 LYS 68 far 0 85 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 66 far 0 96 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 9.1-12.4 HD3 LYS 73 - HE3 LYS 68 far 0 88 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 91 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 73 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 94 0 - 9.6-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 66 0 - 9.7-16.3 HD2 LYS 73 - HE3 LYS 68 far 0 85 0 - 9.9-14.4 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 35 assignments used, quality = 1.00: * HG3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.0-4.1 3.6=90, 3033/6.3=17...(81) HG3 LYS 68 + HE2 LYS 68 OK 100 100 100 100 2.0-4.1 3.6=90, 3033/6.3=17...(80) HG2 LYS 94 + HE3 LYS 94 OK 97 99 100 99 2.4-4.2 3.9=72, 2.9/4266=18...(48) HG2 LYS 94 + HE2 LYS 94 OK 91 93 100 98 2.1-4.1 3.9=72, 2.9/4206=25...(45) HG3 LYS 94 + HE3 LYS 94 OK 72 73 100 98 2.4-4.2 3.9=72, 2.9/4266=18...(48) HG3 LYS 94 + HE2 LYS 94 OK 65 66 100 98 2.0-3.7 3.9=72, 2.9/4206=25...(45) QB ALA 89 - HE3 LYS 90 poor 15 60 25 - 3.1-7.0 QB ALA 25 - HE2 LYS 94 far 5 93 5 - 4.4-8.5 HG LEU 14 - HE3 LYS 90 far 3 63 5 - 3.7-9.7 HB2 LEU 70 - HE3 LYS 66 far 0 89 0 - 4.8-10.6 QB ALA 67 - HE2 LYS 68 far 0 98 0 - 4.8-7.7 QB ALA 67 - HE3 LYS 68 far 0 98 0 - 5.3-7.8 QB ALA 25 - HE3 LYS 94 far 0 99 0 - 5.4-8.1 HB2 LEU 70 - HE2 LYS 66 far 0 83 0 - 6.0-10.0 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 6.0-10.8 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 6.4-11.0 QB ALA 67 - HE3 LYS 66 far 0 96 0 - 6.4-8.1 QB ALA 67 - HE2 LYS 66 far 0 91 0 - 6.8-8.1 HG3 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.4-11.6 QB ALA 89 - HE2 LYS 20 far 0 98 0 - 7.5-11.4 QB ALA 89 - HE3 LYS 20 far 0 98 0 - 7.5-11.0 HG3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.7-10.4 HG3 LYS 94 - HE3 LYS 90 far 0 39 0 - 8.3-12.0 QB ALA 89 - HE3 LYS 94 far 0 99 0 - 8.6-11.4 QB ALA 25 - HE3 LYS 20 far 0 98 0 - 8.8-11.9 QB ALA 89 - HE2 LYS 94 far 0 93 0 - 8.8-11.7 HB2 LEU 70 - HE2 LYS 68 far 0 92 0 - 8.9-11.7 HG2 LYS 39 - HE3 LYS 66 far 0 99 0 - 9.0-14.8 HG LEU 14 - HE2 LYS 20 far 0 100 0 - 9.0-13.5 HG2 LYS 94 - HE3 LYS 90 far 0 60 0 - 9.0-11.8 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 9.1-11.7 HG2 LYS 39 - HE2 LYS 66 far 0 94 0 - 9.1-13.4 QB ALA 25 - HE3 LYS 90 far 0 60 0 - 9.1-11.4 QB ALA 25 - HE2 LYS 20 far 0 98 0 - 9.3-11.7 HG LEU 14 - HE3 LYS 20 far 0 100 0 - 9.4-13.1 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 + HE2 LYS 68 OK 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) HD3 LYS 68 + HE3 LYS 68 OK 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) * HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD3 LYS 20 + HE2 LYS 20 OK 78 89 100 87 2.3-3.0 3.0=73, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 77 88 100 87 2.3-3.0 3.0=73, 2.8/941=8...(34) HD2 LYS 20 + HE2 LYS 20 OK 74 85 100 88 2.2-3.0 3.0=73, 2.8/941=8...(34) HD2 LYS 94 + HE3 LYS 94 OK 74 80 100 92 2.2-3.0 3.0=76, 3.5/4266=9...(29) HD2 LYS 20 + HE3 LYS 20 OK 73 84 100 87 2.2-3.0 3.0=73, 2.8/941=8...(33) HG2 LYS 68 + HE2 LYS 68 OK 68 99 75 91 2.1-4.1 3.6=42, 1.8/4267=10...(60) HG3 LYS 20 + HE2 LYS 20 OK 67 89 85 89 2.1-4.2 3.6=43, 1.8/941=10...(57) HD2 LYS 94 + HE2 LYS 94 OK 67 73 100 92 2.2-3.0 3.0=76, 3.5/4206=12...(30) HG3 LYS 20 + HE3 LYS 20 OK 59 88 75 89 2.2-4.1 3.6=43, 1.8/941=10...(57) HG2 LYS 68 + HE3 LYS 68 OK 45 99 50 92 2.0-4.2 3.6=42, 1.8/4267=10...(61) HB3 ARG 91 - HE3 LYS 90 far 0 41 0 - 3.7-9.0 HB3 ARG 91 - HE2 LYS 94 far 0 70 0 - 4.4-9.6 HD3 LYS 20 - HE3 LYS 90 far 0 50 0 - 4.5-12.2 HB3 ARG 91 - HE3 LYS 94 far 0 77 0 - 4.6-8.8 HG3 LYS 20 - HE3 LYS 90 far 0 50 0 - 5.1-12.5 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 6.2-12.3 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 90 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 96 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 97 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 88 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.4-11.7 HD2 LYS 94 - HE3 LYS 90 far 0 44 0 - 7.7-11.2 HD3 LYS 73 - HE2 LYS 68 far 0 97 0 - 7.7-14.2 HD2 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.9-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 97 0 - 8.5-13.0 HD2 LYS 73 - HE2 LYS 68 far 0 96 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 66 far 0 99 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 94 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 99 0 - 9.1-12.4 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 94 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 89 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 91 0 - 9.6-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 82 0 - 9.7-16.3 HD2 LYS 73 - HE3 LYS 68 far 0 96 0 - 9.9-14.4 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 + HE2 LYS 68 OK 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) * HD3 LYS 68 + HE3 LYS 68 OK 95 100 100 95 2.2-3.0 3.0=73, 3038/3.6=8...(59) HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=8...(58) HD3 LYS 20 + HE2 LYS 20 OK 76 87 100 87 2.3-3.0 3.0=73, 2.8/941=8...(34) HD3 LYS 20 + HE3 LYS 20 OK 76 87 100 87 2.3-3.0 3.0=73, 2.8/941=8...(33) HD2 LYS 94 + HE3 LYS 94 OK 75 82 100 92 2.2-3.0 3.0=76, 3.5/4266=9...(30) HD2 LYS 20 + HE2 LYS 20 OK 73 83 100 88 2.2-3.0 3.0=73, 2.8/941=8...(34) HD2 LYS 20 + HE3 LYS 20 OK 72 83 100 87 2.2-3.0 3.0=73, 2.8/941=8...(33) HD2 LYS 94 + HE2 LYS 94 OK 69 75 100 92 2.2-3.0 3.0=76, 3.5/4206=12...(30) HG2 LYS 68 + HE2 LYS 68 OK 68 99 75 91 2.1-4.1 3.6=42, 1.8/4267=10...(60) HG3 LYS 20 + HE2 LYS 20 OK 66 87 85 89 2.1-4.2 3.6=43, 1.8/941=10...(57) HG3 LYS 20 + HE3 LYS 20 OK 58 87 75 89 2.2-4.1 3.6=43, 1.8/941=10...(57) HG2 LYS 68 + HE3 LYS 68 OK 46 99 50 92 2.0-4.2 3.6=42, 1.8/4267=10...(61) HB3 ARG 91 - HE3 LYS 90 far 0 40 0 - 3.7-9.0 HB3 ARG 91 - HE2 LYS 94 far 0 68 0 - 4.4-9.6 HD3 LYS 20 - HE3 LYS 90 far 0 49 0 - 4.5-12.2 HB3 ARG 91 - HE3 LYS 94 far 0 75 0 - 4.6-8.8 HG3 LYS 20 - HE3 LYS 90 far 0 49 0 - 5.1-12.5 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.2-14.4 HD2 LYS 20 - HE3 LYS 90 far 0 46 0 - 6.2-12.3 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.4-12.1 HD3 LYS 73 - HE2 LYS 66 far 0 89 0 - 6.6-12.9 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.7-13.1 HG2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.0-11.6 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.2-12.2 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.3-12.8 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.4-11.7 HD2 LYS 94 - HE3 LYS 90 far 0 45 0 - 7.7-11.2 HD3 LYS 73 - HE2 LYS 68 far 0 97 0 - 7.7-14.2 HD2 LYS 68 - HE2 LYS 66 far 0 94 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.9-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 97 0 - 8.5-13.0 HD2 LYS 73 - HE2 LYS 68 far 0 95 0 - 8.6-14.0 HD2 LYS 39 - HE3 LYS 66 far 0 99 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 95 0 - 8.8-13.0 HD3 LYS 68 - HE3 LYS 66 far 0 99 0 - 9.1-12.4 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.4-14.9 HD2 LYS 39 - HE2 LYS 66 far 0 94 0 - 9.5-12.2 HG3 LYS 20 - HE3 LYS 94 far 0 88 0 - 9.5-16.2 HD3 LYS 39 - HE2 LYS 66 far 0 92 0 - 9.6-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 81 0 - 9.7-16.3 HD2 LYS 73 - HE3 LYS 68 far 0 96 0 - 9.9-14.4 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 11 assignments used, quality = 1.00: * H GLU 69 + HE3 LYS 68 OK 95 100 95 100 4.2-7.2 3008/5.0=79, 3020/5.0=79...(17) H GLU 69 + HE2 LYS 68 OK 95 100 95 100 3.6-7.0 3008/5.0=79, 3020/5.0=79...(19) H ASP 65 + HE2 LYS 68 OK 51 94 55 100 3.8-8.6 3.0/10270=47...(19) H ASP 65 + HE3 LYS 66 OK 50 92 60 90 5.3-8.4 7064/7.2=51, 9492/4.7=47...(6) H ASP 65 + HE2 LYS 66 OK 38 85 50 89 6.1-8.1 7064/7.2=51, 9492/4.7=47...(5) H ASP 65 + HE3 LYS 68 OK 37 94 40 100 3.8-9.0 3.0/10270=42...(18) H GLN 72 + HE3 LYS 68 OK 32 100 35 91 6.1-9.5 9557/5.0=71, 2996/6.3=30...(5) H GLU 69 + HE3 LYS 66 OK 29 99 30 98 5.3-8.2 9537/3.6=79, 2881/6.1=65...(8) H GLU 69 + HE2 LYS 66 OK 28 95 30 98 6.3-8.2 9537/3.6=79, 2881/6.1=65...(8) H GLN 72 - HE2 LYS 68 poor 20 100 20 - 5.6-9.0 H GLN 72 - HE3 LYS 66 far 0 98 0 - 8.3-12.7 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 94 100 100 94 3.3-3.9 7173/9559=39...(13) H ASP 65 - HA GLU 69 far 0 94 0 - 8.1-9.0 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 8 assignments used, quality = 1.00: HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-2.6 3.0=85, 3.0/3118=38...(23) * HB2 GLU 69 + HA GLU 69 OK 99 100 100 99 3.0-3.0 3.0=85, 3.0/3118=38...(25) HG2 GLU 69 + HA GLU 69 OK 98 100 100 98 2.8-3.7 3111=59, 1.8/3118=53...(22) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.2-3.0 3.0=84, 7540/3.0=29...(18) HB2 GLN 72 - HA GLU 69 far 6 63 10 - 3.1-5.0 QE MET 21 - HA GLU 95 far 0 24 0 - 6.0-7.3 HG3 GLU 104 - HA GLU 95 far 0 23 0 - 9.0-18.2 HG2 GLU 104 - HA GLU 95 far 0 29 0 - 9.6-17.2 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 8 assignments used, quality = 1.00: * HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-2.6 3.0=85, 3.0/3118=38...(23) HB2 GLU 69 + HA GLU 69 OK 99 100 100 99 3.0-3.0 3.0=85, 3.0/3118=38...(25) HG2 GLU 69 + HA GLU 69 OK 98 100 100 98 2.8-3.7 3111=59, 1.8/3118=53...(22) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.2-3.0 3.0=84, 7540/3.0=29...(18) HB2 GLN 72 - HA GLU 69 far 6 63 10 - 3.1-5.0 QE MET 21 - HA GLU 95 far 0 24 0 - 6.0-7.3 HG3 GLU 104 - HA GLU 95 far 0 23 0 - 9.0-18.2 HG2 GLU 104 - HA GLU 95 far 0 29 0 - 9.6-17.2 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 8 assignments used, quality = 1.00: HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-2.6 3.0=85, 3.0/3118=38...(23) HB2 GLU 69 + HA GLU 69 OK 99 100 100 99 3.0-3.0 3.0=85, 3.0/3118=38...(25) * HG2 GLU 69 + HA GLU 69 OK 98 100 100 98 2.8-3.7 3111=59, 1.8/3118=53...(22) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.2-3.0 3.0=84, 7540/3.0=29...(18) HB2 GLN 72 - HA GLU 69 far 6 63 10 - 3.1-5.0 QE MET 21 - HA GLU 95 far 0 24 0 - 6.0-7.3 HG3 GLU 104 - HA GLU 95 far 0 23 0 - 9.0-18.2 HG2 GLU 104 - HA GLU 95 far 0 29 0 - 9.6-17.2 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 2.3-2.8 3118=100, 1.8/3111=75...(16) 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): 2 out of 6 assignments used, quality = 0.95: * HA LYS 66 + HB2 GLU 69 OK 92 100 100 92 2.6-3.5 2883=58, 2881/4.0=35...(15) HA LYS 20 + HB3 GLU 23 OK 28 45 100 62 2.2-3.4 6358/4.0=26, 857=20...(6) HA LYS 66 - HB3 GLU 69 far 15 100 15 - 4.1-4.8 HA LYS 24 - HB3 GLU 23 poor 15 49 30 - 4.1-4.7 HA GLU 16 - HB3 GLU 23 far 0 37 0 - 7.8-9.6 HA GLU 17 - HB3 GLU 23 far 0 46 0 - 8.1-9.1 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 96 100 100 96 2.3-2.8 7135=49, 3110/3.0=40...(17) H GLU 69 + HB3 GLU 69 OK 95 100 100 95 3.6-3.6 4.0=41, 3110/3.0=40...(13) H GLN 72 - HB3 GLU 69 far 0 100 0 - 5.0-5.7 H GLN 72 - HB2 GLU 69 far 0 100 0 - 5.2-5.8 H ASP 65 - HB2 GLU 69 far 0 94 0 - 6.4-8.2 H ASP 65 - HB3 GLU 69 far 0 94 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (4.00, 2.13, 29.27 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.4-2.6 3.0=100 * HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 70 - HB2 GLU 69 far 0 85 0 - 4.0-4.4 HA LEU 70 - HB3 GLU 69 far 0 85 0 - 4.0-4.7 HA GLU 75 - HB3 GLU 69 far 0 100 0 - 9.9-10.7 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 2 assignments used, quality = 1.00: HG3 GLU 69 + HB3 GLU 69 OK 99 100 100 99 2.3-2.9 3.0=94, 3118/3.0=41...(18) * HG3 GLU 69 + HB2 GLU 69 OK 99 100 100 99 2.8-3.0 3.0=94, 3118/3.0=41...(18) 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 2.2-2.8 3116/3.0=44, 7147=43...(15) H LEU 70 + HB3 GLU 69 OK 96 100 100 96 3.0-3.9 3116/3.0=44, 7147=42...(11) Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (4.08, 2.13, 29.27 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.95: HA LYS 66 + HB2 GLU 69 OK 92 100 100 92 2.6-3.5 2883=58, 2881/4.0=35...(15) HA LYS 20 + HB3 GLU 23 OK 28 45 100 62 2.2-3.4 6358/4.0=26, 857=20...(6) ! HA LYS 66 - HB3 GLU 69 far 15 100 15 - 4.1-4.8 HA LYS 24 - HB3 GLU 23 poor 15 49 30 - 4.1-4.7 HA GLU 16 - HB3 GLU 23 far 0 37 0 - 7.8-9.6 HA GLU 17 - HB3 GLU 23 far 0 46 0 - 8.1-9.1 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 96 100 100 96 2.3-2.8 7135=49, 3110/3.0=40...(17) * H GLU 69 + HB3 GLU 69 OK 95 100 100 95 3.6-3.6 4.0=41, 3110/3.0=40...(13) H GLN 72 - HB3 GLU 69 far 0 100 0 - 5.0-5.7 H GLN 72 - HB2 GLU 69 far 0 100 0 - 5.2-5.8 H ASP 65 - HB2 GLU 69 far 0 94 0 - 6.4-8.2 H ASP 65 - HB3 GLU 69 far 0 94 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (4.00, 2.13, 29.27 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.4-2.6 3.0=100 HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 70 - HB2 GLU 69 far 0 85 0 - 4.0-4.4 HA LEU 70 - HB3 GLU 69 far 0 85 0 - 4.0-4.7 HA GLU 75 - HB3 GLU 69 far 0 100 0 - 9.9-10.7 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 2 assignments used, quality = 1.00: * HG3 GLU 69 + HB3 GLU 69 OK 99 100 100 99 2.3-2.9 3.0=94, 3118/3.0=41...(18) HG3 GLU 69 + HB2 GLU 69 OK 99 100 100 99 2.8-3.0 3.0=94, 3118/3.0=41...(18) 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 2.2-2.8 3116/3.0=44, 7147=43...(15) * H LEU 70 + HB3 GLU 69 OK 96 100 100 96 3.0-3.9 3116/3.0=44, 7147=42...(11) 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 3 assignments used, quality = 1.00: * H GLU 69 + HG2 GLU 69 OK 100 100 100 100 2.2-3.1 7136/1.8=63, 3.0/3111=55...(21) H ASP 65 - HG2 GLU 69 far 0 94 0 - 5.6-6.4 H GLN 72 - HG2 GLU 69 far 0 100 0 - 5.9-7.0 Violated in 0 structures by 0.00 A. Peak 3111 from cnoeabs.peaks (4.00, 2.13, 35.91 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 69 + HG2 GLU 69 OK 100 100 100 100 2.8-3.7 3118/1.8=73, 4.1=56...(22) HA LEU 70 - HG2 GLU 69 far 0 85 0 - 6.2-6.5 HA GLU 95 - HG3 GLU 104 far 0 38 0 - 9.0-18.2 HA GLU 95 - HG2 GLU 104 far 0 54 0 - 9.6-17.2 Violated in 12 structures by 0.15 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 2 48 5 - 3.3-20.8 HB2 TYR 41 - HG2 GLU 44 far 0 73 0 - 3.8-6.6 HD3 ARG 81 - HG3 GLU 104 far 0 34 0 - 4.2-22.1 HG3 GLU 43 - HG2 GLU 44 far 0 83 0 - 5.6-8.6 HG2 GLU 48 - HG2 GLU 44 far 0 91 0 - 6.1-9.8 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 3.9-4.4 7137/3110=66...(10) H LEU 42 - HG2 GLU 44 far 9 93 10 - 4.3-7.1 Violated in 20 structures by 0.36 A. Peak 3117 from cnoeabs.peaks (7.90, 2.34, 35.91 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.2-3.8 7136=100, 3110/1.8=83...(14) H GLN 72 - HG3 GLU 69 far 0 100 0 - 5.6-6.5 H ASP 65 - HG3 GLU 69 far 0 94 0 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (4.00, 2.34, 35.91 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.3-2.8 3092=84, 3111/1.8=68...(16) HA LEU 70 - HG3 GLU 69 far 0 85 0 - 6.3-6.6 HA LEU 70 - HG3 GLU 43 far 0 32 0 - 8.3-10.5 HD3 PRO 86 - HG2 GLU 16 far 0 90 0 - 8.4-11.9 HD2 PRO 86 - HG2 GLU 16 far 0 91 0 - 9.6-13.1 HA GLU 75 - HG3 GLU 43 far 0 43 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 5 out of 16 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 HB3 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.3-2.9 3.0=52, 3.0/3118=26...(11) * HB2 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.8-3.0 3.0=52, 3.0/3118=26...(11) HB3 GLU 16 + HG2 GLU 16 OK 50 57 100 89 2.2-2.8 3.0=51, 3.0/712=25...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-7.4 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.6-8.6 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 5.9-9.7 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 6.1-9.7 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 6.1-9.8 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.5-10.1 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 8.8-11.9 HB3 GLU 37 - HG3 GLU 44 far 0 87 0 - 9.6-12.7 QE MET 21 - HG2 GLU 16 far 0 78 0 - 9.7-11.9 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.9-13.0 HB2 GLU 75 - HG3 GLU 43 far 0 42 0 - 9.9-13.8 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 16 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 * HB3 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.3-2.9 3.0=52, 3.0/3118=26...(11) HB2 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.8-3.0 3.0=52, 3.0/3118=26...(11) HB3 GLU 16 + HG2 GLU 16 OK 50 57 100 89 2.2-2.8 3.0=51, 3.0/712=25...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-7.4 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.6-8.6 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 5.9-9.7 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 6.1-9.7 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 6.1-9.8 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.5-10.1 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 8.8-11.9 HB3 GLU 37 - HG3 GLU 44 far 0 87 0 - 9.6-12.7 QE MET 21 - HG2 GLU 16 far 0 78 0 - 9.7-11.9 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.9-13.0 HB2 GLU 75 - HG3 GLU 43 far 0 42 0 - 9.9-13.8 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 16 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 HB3 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.3-2.9 3.0=52, 3.0/3118=26...(11) HB2 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.8-3.0 3.0=52, 3.0/3118=26...(11) HB3 GLU 16 + HG2 GLU 16 OK 50 57 100 89 2.2-2.8 3.0=51, 3.0/712=25...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-7.4 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.6-8.6 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 5.9-9.7 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 6.1-9.7 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 6.1-9.8 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.5-10.1 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 8.8-11.9 HB3 GLU 37 - HG3 GLU 44 far 0 87 0 - 9.6-12.7 QE MET 21 - HG2 GLU 16 far 0 78 0 - 9.7-11.9 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.9-13.0 HB2 GLU 75 - HG3 GLU 43 far 0 42 0 - 9.9-13.8 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 3 assignments used, quality = 0.77: * H LEU 70 + HG3 GLU 69 OK 70 100 70 100 4.4-5.2 3116/1.8=83...(7) H LEU 42 + HG3 GLU 43 OK 25 44 60 94 4.4-6.1 6685/6696=59...(6) H LEU 42 - HG3 GLU 44 far 0 87 0 - 5.3-8.3 Violated in 20 structures by 0.09 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 2.7-2.8 3.0=100 H LEU 42 - HA LEU 70 far 0 100 0 - 8.4-9.7 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 2.5-3.0 3.0=100 HG2 LYS 39 - HA LEU 70 far 13 87 15 - 4.3-6.8 QB ALA 67 - HA LEU 70 far 0 73 0 - 6.5-7.1 HG3 LYS 68 - HA LEU 70 far 0 92 0 - 7.0-9.7 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 2.4-3.0 3.0=100 HG LEU 70 + HA LEU 70 OK 95 95 100 100 2.6-3.7 3.7=76, 2.1/3167=66...(23) HD3 LYS 66 - HA LEU 70 far 0 97 0 - 5.9-10.1 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 2.6-3.7 3.7=76, 2.1/3167=66...(23) HB3 LEU 70 + HA LEU 70 OK 95 95 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HA LEU 70 OK 35 75 55 83 2.3-5.9 3.0/10813=33...(12) HD3 LYS 73 + HA LEU 70 OK 27 71 45 83 2.0-6.0 3.0/10813=33...(12) HD3 LYS 66 - HA LEU 70 far 0 100 0 - 5.9-10.1 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 2.3-4.0 2.1/3167=58, 4.0=46...(26) QD2 LEU 70 + HA LEU 70 OK 99 99 100 100 1.9-2.6 3167=81, 3166/3.0=32...(28) QD2 LEU 38 - HA LEU 70 far 0 100 0 - 5.6-8.3 QD1 ILE 76 - HA LEU 70 far 0 96 0 - 5.8-7.8 QG2 VAL 32 - HA LEU 70 far 0 96 0 - 9.1-10.4 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 100 100 100 100 1.9-2.6 3167=82, 3166/3.0=32...(28) QD1 LEU 70 + HA LEU 70 OK 99 99 100 99 2.3-4.0 2.1/3167=58, 4.0=46...(26) QD2 LEU 38 - HA LEU 70 far 0 96 0 - 5.6-8.3 QD1 ILE 76 - HA LEU 70 far 0 100 0 - 5.8-7.8 QD1 LEU 6 - HA LEU 70 far 0 63 0 - 8.4-9.4 QG2 VAL 32 - HA LEU 70 far 0 87 0 - 9.1-10.4 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 3.5-3.6 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): 2 out of 6 assignments used, quality = 1.00: HA ALA 71 + HB2 LEU 70 OK 99 99 100 100 3.9-4.7 3.0/7159=79...(20) * HA ALA 67 + HB2 LEU 70 OK 96 100 100 96 2.7-4.9 7140/3133=51...(16) HA GLU 35 - HB2 LEU 70 far 0 71 0 - 5.3-7.5 HA LEU 38 - HB2 LEU 70 far 0 92 0 - 5.9-7.6 HA LYS 40 - HB2 LEU 70 far 0 99 0 - 8.5-10.1 HA GLU 43 - HB2 LEU 70 far 0 79 0 - 8.7-10.6 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 2.3-3.6 7150=92, 3142/1.8=77...(16) H LEU 42 - HB2 LEU 70 far 0 100 0 - 6.4-8.0 Violated in 11 structures by 0.03 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 2.5-3.0 3.0=100 HA GLU 69 - HB2 LEU 70 far 0 85 0 - 5.6-6.6 HA GLU 75 - HB2 LEU 70 far 0 93 0 - 9.3-10.2 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 91 95 100 96 2.3-3.0 3.0=68, 2.1/3139=23...(18) HD3 LYS 66 - HB2 LEU 70 far 0 97 0 - 6.2-9.3 HB3 LYS 40 - HB2 LEU 70 far 0 73 0 - 9.5-11.1 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 2.3-3.0 3.0=68, 2.1/3139=23...(18) HB3 LEU 70 + HB2 LEU 70 OK 95 95 100 100 1.8-1.8 1.8=100 HD3 LYS 73 - HB2 LEU 70 far 0 71 0 - 4.3-8.6 HD2 LYS 73 - HB2 LEU 70 far 0 75 0 - 4.6-8.5 HD3 LYS 66 - HB2 LEU 70 far 0 100 0 - 6.2-9.3 HB3 LYS 40 - HB2 LEU 70 far 0 96 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3138 from cnoeabs.peaks (0.81, 1.37, 41.70 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.1=91, 2.1/3137=36...(23) QD2 LEU 70 + HB2 LEU 70 OK 99 99 100 100 2.1-3.2 3.1=91, 3167/3.0=43...(20) QD2 LEU 38 - HB2 LEU 70 far 5 100 5 - 3.9-6.4 QD1 ILE 76 - HB2 LEU 70 far 0 96 0 - 5.6-7.3 QG2 VAL 32 - HB2 LEU 70 far 0 96 0 - 6.9-8.3 QG2 ILE 8 - HB2 LEU 70 far 0 79 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (0.81, 1.37, 41.70 ppm; 3.05 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.1-3.2 3.1=91, 3167/3.0=43...(20) QD1 LEU 70 + HB2 LEU 70 OK 99 99 100 100 2.0-3.2 3.1=91, 2.1/3137=36...(23) QD2 LEU 38 - HB2 LEU 70 far 5 96 5 - 3.9-6.4 QD1 ILE 76 - HB2 LEU 70 far 0 100 0 - 5.6-7.3 QD1 LEU 6 - HB2 LEU 70 far 0 63 0 - 6.3-7.4 QG2 VAL 32 - HB2 LEU 70 far 0 87 0 - 6.9-8.3 QG2 ILE 8 - HB2 LEU 70 far 0 91 0 - 8.5-9.9 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 2.2-3.2 7159=100, 7160/1.8=83...(19) 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 4.2-4.8 3.0/7160=67...(16) * HA ALA 67 + HB3 LEU 70 OK 92 100 95 97 2.5-4.8 7140/3142=51...(17) HA GLU 35 - HB3 LEU 70 far 0 71 0 - 5.1-7.3 HA LEU 38 - HB3 LEU 70 far 0 92 0 - 5.8-7.7 HA LYS 40 - HB3 LEU 70 far 0 99 0 - 8.1-10.8 HA GLU 43 - HB3 LEU 70 far 0 79 0 - 8.2-11.4 Violated in 6 structures by 0.03 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 2.1-3.6 3133/1.8=65, 3.9=59...(16) H LEU 42 - HB3 LEU 70 far 0 100 0 - 6.2-8.6 Violated in 7 structures by 0.10 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 2.4-3.0 3.0=100 HA GLU 69 - HB3 LEU 70 far 0 85 0 - 5.6-6.6 HA GLU 75 - HB3 LEU 70 far 0 93 0 - 9.1-10.5 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 6 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 17 87 20 - 2.7-7.2 QB ALA 67 - HB3 LEU 70 far 0 73 0 - 4.1-6.0 HG3 LYS 68 - HB3 LEU 70 far 0 92 0 - 6.2-10.2 HG12 ILE 8 - HB3 LEU 70 far 0 100 0 - 9.0-11.3 HG3 LYS 40 - HB3 LEU 70 far 0 99 0 - 9.8-12.8 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 2.0-3.1 3.1=85, 3138/1.8=33...(21) QD2 LEU 70 + HB3 LEU 70 OK 98 99 100 99 2.1-3.2 3.1=85, 3167/3.0=41...(19) QD2 LEU 38 - HB3 LEU 70 far 5 100 5 - 3.5-6.5 QD1 ILE 76 - HB3 LEU 70 far 0 96 0 - 4.9-8.0 QG2 VAL 32 - HB3 LEU 70 far 0 96 0 - 7.1-8.2 QG2 ILE 8 - HB3 LEU 70 far 0 79 0 - 8.0-10.5 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 2.1-3.2 3.1=85, 3167/3.0=41...(19) QD1 LEU 70 + HB3 LEU 70 OK 99 99 100 99 2.0-3.1 3.1=85, 3139/1.8=32...(20) QD2 LEU 38 - HB3 LEU 70 far 5 96 5 - 3.5-6.5 QD1 ILE 76 - HB3 LEU 70 far 0 100 0 - 4.9-8.0 QD1 LEU 6 - HB3 LEU 70 far 0 63 0 - 6.5-7.5 QG2 VAL 32 - HB3 LEU 70 far 0 87 0 - 7.1-8.2 QG2 ILE 8 - HB3 LEU 70 far 0 91 0 - 8.0-10.5 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 2.1-3.7 7160=100, 7159/1.8=92...(16) H PHE 45 - HB3 LEU 70 far 0 100 0 - 9.9-12.2 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 2.0-3.8 3142/3.0=67, 3133/3.0=64...(16) H LEU 42 - HG LEU 70 far 0 100 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 3151 from cnoeabs.peaks (4.02, 1.70, 27.00 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 2.6-3.7 3.7=100 HA GLU 69 - HG LEU 70 far 0 85 0 - 5.2-7.2 HA GLU 17 - HG2 PRO 86 far 0 46 0 - 6.9-8.9 HA GLU 16 - HG2 PRO 86 far 0 58 0 - 9.3-11.6 HB3 SER 59 - HG2 PRO 86 far 0 67 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (1.37, 1.70, 27.00 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 14 - HG2 PRO 86 far 10 65 15 - 4.3-6.5 HG2 LYS 39 - HG LEU 70 far 4 87 5 - 4.2-7.0 QB ALA 67 - HG LEU 70 far 0 73 0 - 5.1-5.9 QB ALA 89 - HG2 PRO 86 far 0 51 0 - 5.6-6.4 HG3 LYS 68 - HG LEU 70 far 0 92 0 - 6.8-9.3 HG12 ILE 8 - HG LEU 70 far 0 100 0 - 9.7-11.8 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): 2 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 far 5 100 5 - 2.6-7.2 QD1 ILE 76 - HG LEU 70 far 0 96 0 - 7.4-9.4 QG2 VAL 32 - HG LEU 70 far 0 96 0 - 7.6-9.4 QG2 ILE 8 - HG LEU 70 far 0 79 0 - 8.4-10.1 QD1 LEU 57 - HG2 PRO 86 far 0 71 0 - 8.7-11.5 QG2 ILE 15 - HG2 PRO 86 far 0 74 0 - 9.1-10.3 QG2 ILE 7 - HG2 PRO 86 far 0 67 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (0.81, 1.70, 27.00 ppm; 3.09 A): 2 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 far 5 96 5 - 2.6-7.2 QD1 LEU 6 - HG LEU 70 far 0 63 0 - 7.2-9.1 QD1 ILE 76 - HG LEU 70 far 0 100 0 - 7.4-9.4 QG2 VAL 32 - HG LEU 70 far 0 87 0 - 7.6-9.4 QD1 ILE 93 - HG2 PRO 86 far 0 39 0 - 8.3-10.4 QG2 ILE 8 - HG LEU 70 far 0 91 0 - 8.4-10.1 QD1 LEU 57 - HG2 PRO 86 far 0 64 0 - 8.7-11.5 QG2 ILE 15 - HG2 PRO 86 far 0 75 0 - 9.1-10.3 QG2 ILE 7 - HG2 PRO 86 far 0 73 0 - 9.5-10.5 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 4.1-5.1 7159/3.0=98, 7160/3.0=93...(14) Violated in 1 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 3.1-4.2 4.6=100 H LEU 42 + QD2 LEU 38 OK 57 67 85 100 5.1-6.9 8912/2.1=99, 6662/3.8=44...(10) H LEU 42 + QD1 LEU 70 OK 47 100 75 62 5.7-7.4 6663/8952=43...(4) H LEU 70 + QD2 LEU 38 OK 21 67 70 44 5.0-7.5 7140/9524=25...(6) Violated in 0 structures by 0.00 A. Peak 3159 from cnoeabs.peaks (4.02, 0.81, 25.21 ppm; 5.20 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.3-4.0 4.0=100 HA LEU 70 - QD2 LEU 38 far 7 67 10 - 5.6-8.3 HA GLU 69 - QD1 LEU 70 far 4 85 5 - 6.0-6.8 HB3 SER 59 - QD2 LEU 57 far 0 54 0 - 7.8-9.4 HA GLU 69 - QD2 LEU 38 far 0 51 0 - 7.9-10.0 HB3 SER 59 - QD2 LEU 38 far 0 59 0 - 8.8-11.1 HA GLU 95 - QD2 LEU 57 far 0 61 0 - 9.0-10.0 HA GLU 75 - QD1 LEU 70 far 0 93 0 - 9.0-10.8 HA GLU 17 - QD2 LEU 57 far 0 36 0 - 9.2-11.6 HA GLU 16 - QD2 LEU 57 far 0 46 0 - 9.2-11.6 HB3 SER 97 - QD2 LEU 57 far 0 33 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 3160 from cnoeabs.peaks (1.37, 0.81, 25.21 ppm; 3.49 A): 6 out of 27 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 LYS 39 + QD1 LEU 70 OK 59 87 75 91 2.0-5.4 10569=32, 10569/2.1=29...(23) QB ALA 67 + QD1 LEU 70 OK 52 73 80 88 3.3-6.5 2.1/9524=25, 9526=22...(19) HG12 ILE 8 + QD2 LEU 38 OK 43 66 85 77 2.9-5.3 12204/1399=16...(15) QB ALA 67 + QD2 LEU 38 OK 34 42 100 81 2.1-3.8 9526=27, 2.1/9524=20...(22) QB ALA 89 + QD2 LEU 57 OK 29 40 85 85 3.6-4.8 ~10698=26, ~9926=23...(14) HB2 LEU 70 - QD2 LEU 38 far 10 67 15 - 3.9-6.4 HG2 LYS 39 - QD2 LEU 38 far 0 52 0 - 4.5-7.7 QB ALA 67 - QD2 LEU 57 far 0 38 0 - 5.7-6.4 HB3 ARG 30 - QD2 LEU 38 far 0 67 0 - 5.8-9.4 HG12 ILE 8 - QD2 LEU 57 far 0 60 0 - 5.9-7.8 HB2 LYS 82 - QD2 LEU 57 far 0 45 0 - 6.1-8.6 HG12 ILE 8 - QD1 LEU 70 far 0 100 0 - 6.2-10.2 HG LEU 14 - QD2 LEU 57 far 0 52 0 - 6.4-8.3 HG3 LYS 68 - QD1 LEU 70 far 0 92 0 - 6.4-9.1 HG3 LYS 68 - QD2 LEU 38 far 0 56 0 - 6.5-9.5 HG3 LYS 40 - QD2 LEU 38 far 0 64 0 - 6.7-9.4 HB3 LEU 27 - QD2 LEU 57 far 0 46 0 - 7.1-9.1 HB3 ARG 30 - QD2 LEU 57 far 0 61 0 - 7.2-8.9 QB ALA 25 - QD2 LEU 57 far 0 40 0 - 7.3-8.8 HG3 LYS 40 - QD1 LEU 70 far 0 99 0 - 7.9-10.0 HG2 LYS 94 - QD2 LEU 57 far 0 40 0 - 8.2-11.0 HG3 LYS 68 - QD2 LEU 57 far 0 51 0 - 8.2-11.9 QB ALA 89 - QD2 LEU 38 far 0 45 0 - 8.5-11.5 HB2 LYS 82 - QD2 LEU 38 far 0 50 0 - 8.6-10.2 HG3 LYS 94 - QD2 LEU 57 far 0 57 0 - 9.3-10.8 HB2 LYS 82 - QD1 LEU 70 far 0 84 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (1.72, 0.81, 25.21 ppm; 3.74 A): 3 out of 21 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.0-3.1 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 55 97 60 94 3.9-6.3 2.9/9517=60...(13) HG LEU 70 - QD2 LEU 38 far 9 59 15 - 2.6-7.2 HB3 LEU 70 - QD2 LEU 38 poor 9 67 30 44 3.5-6.5 ~12070=11, 3141/9524=7...(16) HD2 ARG 81 - QD2 LEU 57 far 3 58 5 - 4.4-8.3 HD3 LYS 66 - QD2 LEU 38 far 0 62 0 - 5.3-8.9 HD2 LYS 90 - QD2 LEU 57 far 0 47 0 - 6.5-9.5 HB3 LYS 40 - QD2 LEU 38 far 0 42 0 - 6.8-8.2 HD3 LYS 90 - QD2 LEU 57 far 0 52 0 - 7.1-10.2 HG12 ILE 15 - QD2 LEU 57 far 0 49 0 - 7.1-9.8 HB3 LYS 40 - QD1 LEU 70 far 0 73 0 - 7.3-8.8 HB3 ARG 91 - QD2 LEU 57 far 0 36 0 - 7.3-9.1 HG12 ILE 15 - QD2 LEU 38 far 0 54 0 - 8.2-11.4 HB3 LYS 53 - QD2 LEU 57 far 0 40 0 - 8.6-9.7 HB ILE 15 - QD2 LEU 57 far 0 56 0 - 8.7-10.8 HD3 LYS 33 - QD2 LEU 38 far 0 65 0 - 8.9-9.8 HD2 LYS 33 - QD2 LEU 38 far 0 65 0 - 9.0-9.9 HB2 GLU 28 - QD2 LEU 57 far 0 43 0 - 9.2-12.1 HD2 ARG 81 - QD2 LEU 38 far 0 64 0 - 9.9-12.6 HB2 GLU 28 - QD2 LEU 38 far 0 48 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 3162 from cnoeabs.peaks (1.70, 0.81, 25.21 ppm; 3.74 A): 3 out of 22 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 2.0-3.1 3.1=100 HD3 LYS 66 + QD1 LEU 70 OK 57 100 60 95 3.9-6.3 2.9/9517=60...(13) HB3 LEU 70 - QD2 LEU 38 poor 18 59 30 - 3.5-6.5 HG LEU 70 - QD2 LEU 38 far 10 67 15 - 2.6-7.2 HD2 LYS 73 - QD1 LEU 70 far 4 75 5 - 3.6-8.6 HD2 ARG 81 - QD2 LEU 57 far 2 43 5 - 4.4-8.3 HD3 LYS 73 - QD1 LEU 70 far 0 71 0 - 4.7-8.4 HD3 LYS 66 - QD2 LEU 38 far 0 67 0 - 5.3-8.9 HB3 LYS 40 - QD2 LEU 38 far 0 61 0 - 6.8-8.2 HD3 LYS 90 - QD2 LEU 57 far 0 61 0 - 7.1-10.2 HG12 ILE 15 - QD2 LEU 57 far 0 60 0 - 7.1-9.8 HB3 LYS 40 - QD1 LEU 70 far 0 96 0 - 7.3-8.8 HB3 ARG 91 - QD2 LEU 57 far 0 54 0 - 7.3-9.1 HG12 ILE 15 - QD2 LEU 38 far 0 66 0 - 8.2-11.4 HD3 LYS 73 - QD2 LEU 38 far 0 41 0 - 8.4-12.3 HB3 LYS 53 - QD2 LEU 57 far 0 57 0 - 8.6-9.7 HD2 LYS 73 - QD2 LEU 38 far 0 43 0 - 8.7-12.1 HB ILE 15 - QD2 LEU 57 far 0 39 0 - 8.7-10.8 HD3 LYS 33 - QD2 LEU 38 far 0 50 0 - 8.9-9.8 HD2 LYS 33 - QD2 LEU 38 far 0 50 0 - 9.0-9.9 HD2 ARG 81 - QD2 LEU 38 far 0 48 0 - 9.9-12.6 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): 2 out of 9 assignments used, quality = 1.00: * H ALA 71 + QD1 LEU 70 OK 100 100 100 100 3.7-4.8 7159/3.1=100...(15) H LYS 94 + QD2 LEU 57 OK 35 61 100 58 6.4-7.3 11011/9269=31...(5) H ALA 71 - QD2 LEU 38 poor 16 67 100 24 5.3-7.0 7164/9524=9, 7157/3158=8...(5) H PHE 45 - QD2 LEU 38 far 0 67 0 - 8.6-11.0 H GLU 23 - QD2 LEU 57 far 0 54 0 - 8.8-11.0 H LEU 103 - QD2 LEU 57 far 0 43 0 - 9.1-15.3 H LEU 27 - QD2 LEU 57 far 0 52 0 - 9.4-11.3 H PHE 45 - QD1 LEU 70 far 0 100 0 - 9.4-10.9 H ALA 71 - QD2 LEU 57 far 0 61 0 - 9.9-11.4 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 2.0-4.1 4.6=81, 3150/2.1=81...(17) H LEU 42 - QD2 LEU 70 far 0 100 0 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 3167 from cnoeabs.peaks (4.02, 0.81, 24.20 ppm; 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-2.6 4.0=56, 3.0/3166=37...(29) HA GLU 69 - QD2 LEU 70 far 0 85 0 - 4.5-6.3 HB3 SER 59 - QD1 LEU 57 far 0 51 0 - 6.0-8.8 HA GLU 95 - QD1 LEU 57 far 0 58 0 - 8.9-10.2 HA GLU 75 - QD2 LEU 70 far 0 93 0 - 8.9-9.7 HA GLU 17 - QD1 LEU 57 far 0 35 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 3168 from cnoeabs.peaks (1.37, 0.81, 24.20 ppm; 3.23 A): 3 out of 17 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-3.2 3.1=100 HG2 LYS 39 + QD2 LEU 70 OK 72 87 90 92 2.0-6.3 10569=31, 3.9/10822=30...(21) QB ALA 89 + QD1 LEU 57 OK 25 38 80 82 1.9-4.7 2.9/9926=30, 2.1/9929=22...(14) QB ALA 67 - QD2 LEU 70 far 0 73 0 - 5.1-6.3 HB2 LYS 82 - QD1 LEU 57 far 0 43 0 - 5.5-6.5 HG LEU 14 - QD1 LEU 57 far 0 50 0 - 5.6-7.8 QB ALA 67 - QD1 LEU 57 far 0 36 0 - 5.7-7.3 HG3 LYS 68 - QD2 LEU 70 far 0 92 0 - 5.9-9.5 HG12 ILE 8 - QD1 LEU 57 far 0 58 0 - 7.2-8.5 HG2 LYS 94 - QD1 LEU 57 far 0 38 0 - 8.0-11.0 QB ALA 25 - QD1 LEU 57 far 0 38 0 - 8.3-9.7 HG3 LYS 68 - QD1 LEU 57 far 0 49 0 - 8.4-11.9 HG3 LYS 40 - QD2 LEU 70 far 0 99 0 - 8.5-11.2 HG12 ILE 8 - QD2 LEU 70 far 0 100 0 - 8.6-10.4 HB3 LEU 27 - QD1 LEU 57 far 0 44 0 - 9.0-11.1 HG3 LYS 94 - QD1 LEU 57 far 0 55 0 - 9.1-10.9 HB3 ARG 30 - QD1 LEU 57 far 0 58 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 3169 from cnoeabs.peaks (1.72, 0.81, 24.20 ppm; 2.90 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 99 100 100 99 2.1-3.2 3.1=79, 3.0/3167=39...(19) HG LEU 70 + QD2 LEU 70 OK 95 95 100 100 2.1-2.1 2.1=100 HD3 LYS 66 - QD2 LEU 70 far 10 97 10 - 3.4-7.5 HD2 ARG 81 - QD1 LEU 57 far 0 56 0 - 4.3-6.8 HB3 ARG 91 - QD1 LEU 57 far 0 35 0 - 5.9-8.0 HD2 LYS 90 - QD1 LEU 57 far 0 45 0 - 6.4-9.7 HD3 LYS 90 - QD1 LEU 57 far 0 50 0 - 7.2-9.9 HB3 LYS 40 - QD2 LEU 70 far 0 73 0 - 7.5-10.0 HG12 ILE 15 - QD1 LEU 57 far 0 47 0 - 7.9-10.4 HG2 PRO 86 - QD1 LEU 57 far 0 46 0 - 8.7-11.5 HB ILE 15 - QD1 LEU 57 far 0 53 0 - 9.1-11.0 HB3 LYS 53 - QD1 LEU 57 far 0 38 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 3170 from cnoeabs.peaks (1.70, 0.81, 24.20 ppm; 2.90 A): 2 out of 13 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 94 95 100 99 2.1-3.2 3.1=79, 3.0/3167=39...(19) HD2 LYS 73 - QD2 LEU 70 poor 18 75 40 61 2.0-6.6 3.0/10395=23...(8) HD3 LYS 73 - QD2 LEU 70 poor 18 71 40 61 2.2-6.4 3.0/10395=23...(8) HD3 LYS 66 - QD2 LEU 70 far 10 100 10 - 3.4-7.5 HD2 ARG 81 - QD1 LEU 57 far 0 42 0 - 4.3-6.8 HB3 ARG 91 - QD1 LEU 57 far 0 52 0 - 5.9-8.0 HD3 LYS 90 - QD1 LEU 57 far 0 58 0 - 7.2-9.9 HB3 LYS 40 - QD2 LEU 70 far 0 96 0 - 7.5-10.0 HG12 ILE 15 - QD1 LEU 57 far 0 58 0 - 7.9-10.4 HG2 PRO 86 - QD1 LEU 57 far 0 58 0 - 8.7-11.5 HB ILE 15 - QD1 LEU 57 far 0 37 0 - 9.1-11.0 HB3 LYS 53 - QD1 LEU 57 far 0 54 0 - 9.2-12.0 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 4.1-4.9 7159/3.1=93, 7160/3.1=86...(15) H LYS 94 - QD1 LEU 57 far 0 58 0 - 6.6-7.8 H LEU 103 - QD1 LEU 57 far 0 42 0 - 7.7-16.8 H PHE 45 - QD2 LEU 70 far 0 100 0 - 9.9-11.8 Violated in 2 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 2.7-2.9 3.0=100 H ALA 71 + HA ALA 67 OK 63 80 90 88 3.5-4.3 7157/7140=37, 7164=32...(12) H GLU 23 + HA ALA 22 OK 53 54 100 99 3.5-3.6 3.6=81, 6363/2.1=61...(13) H LEU 27 + HA ALA 22 OK 46 51 95 95 3.4-4.3 8638=51, 6440/2.1=28...(13) H LYS 94 - HA ALA 22 far 0 60 0 - 5.7-7.0 H PHE 45 - HA ALA 71 far 0 100 0 - 8.3-9.3 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 HG13 ILE 76 - HA ALA 71 far 0 84 0 - 4.0-6.9 QB ALA 71 - HA ALA 67 far 0 80 0 - 4.0-4.9 HG3 LYS 39 - HA ALA 71 far 0 75 0 - 5.2-8.7 HG3 LYS 39 - HA ALA 67 far 0 53 0 - 5.8-9.9 HG LEU 29 - HA ALA 22 far 0 45 0 - 6.5-8.2 HG3 LYS 94 - HA ALA 22 far 0 40 0 - 6.7-9.8 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 3.4-3.6 3.6=100 H GLU 69 + HA ALA 67 OK 67 79 85 100 4.3-5.1 7121=92, 7115/7104=66...(9) H GLN 72 - HA ALA 67 far 0 80 0 - 6.0-6.7 H ASP 65 - HA ALA 67 far 0 75 0 - 6.7-7.0 H GLU 69 - HA ALA 71 far 0 100 0 - 6.7-7.3 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 2 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 - 7.5-9.2 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 7 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 far 0 99 0 - 4.0-4.9 HA LEU 38 - QB ALA 71 far 0 81 0 - 6.2-8.0 HA GLU 43 - QB ALA 71 far 0 63 0 - 7.2-9.7 HB3 SER 49 - QB ALA 71 far 0 99 0 - 8.8-11.4 HB3 SER 102 - QB ALA 71 far 0 68 0 - 8.9-18.8 HA LYS 40 - QB ALA 71 far 0 93 0 - 9.0-10.9 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): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + QB ALA 71 OK 100 100 100 100 2.5-3.0 7170=100, 7166/7165=62...(17) H GLU 69 - QB ALA 71 far 0 100 0 - 4.6-5.3 H ASP 65 - QB ALA 71 far 0 98 0 - 8.4-9.3 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 - 5.0-5.2 H GLU 69 - HA GLN 72 far 0 100 0 - 6.9-7.8 H GLU 69 - HA LYS 73 far 0 57 0 - 7.9-8.6 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 18 assignments used, quality = 1.00: * HB2 GLN 72 + HA GLN 72 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 GLU 16 + HA LYS 13 OK 38 70 70 78 2.8-5.0 6238/6226=37, 703=33...(7) HB2 GLN 72 - HA LYS 73 far 9 58 15 - 3.8-4.5 HG2 GLU 75 - HA LYS 73 far 0 56 0 - 4.0-6.6 HG3 GLU 75 - HA LYS 73 far 0 55 0 - 4.4-5.7 HG2 GLU 75 - HA GLN 72 far 0 99 0 - 4.8-6.4 HG3 GLU 75 - HA GLN 72 far 0 99 0 - 4.9-7.1 HB2 GLU 75 - HA GLN 72 far 0 81 0 - 5.6-6.7 HB3 GLU 69 - HA LYS 73 far 0 30 0 - 5.8-6.6 HB2 GLU 75 - HA LYS 73 far 0 40 0 - 5.8-7.2 HG3 PRO 86 - HA LYS 13 far 0 44 0 - 6.0-9.0 HB3 GLU 75 - HA GLN 72 far 0 84 0 - 6.1-6.9 HB3 GLU 75 - HA LYS 73 far 0 42 0 - 6.4-7.2 HB3 GLU 69 - HA GLN 72 far 0 63 0 - 6.8-7.9 HB2 GLU 69 - HA LYS 73 far 0 30 0 - 7.0-7.8 HB2 GLU 69 - HA GLN 72 far 0 63 0 - 7.5-8.4 HG2 GLU 69 - HA GLN 72 far 0 63 0 - 8.1-9.6 HG2 GLU 69 - HA LYS 73 far 0 30 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (2.23, 4.15, 58.19 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + HA GLN 72 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 GLU 17 - HA LYS 13 far 7 68 10 - 3.7-6.2 HB3 GLN 72 - HA LYS 73 far 0 58 0 - 4.2-5.0 Violated in 0 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (2.42, 4.15, 58.19 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 72 + HA GLN 72 OK 100 100 100 100 2.0-3.6 3.9=72, 1.8/3187=64...(13) HG3 GLU 17 - HA LYS 13 poor 13 69 40 46 3.8-5.5 6258/6244=21...(7) HG2 GLN 72 - HA LYS 73 far 0 58 0 - 6.0-6.6 HB2 ASP 11 - HA LYS 13 far 0 68 0 - 6.6-7.2 Violated in 1 structures by 0.01 A. Peak 3187 from cnoeabs.peaks (2.54, 4.15, 58.19 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 72 + HA GLN 72 OK 100 100 100 100 2.0-3.7 3.9=90, 1.8/3186=72...(15) HG2 MET 74 - HA LYS 73 far 0 55 0 - 4.9-6.0 HG2 MET 74 - HA GLN 72 far 0 99 0 - 5.6-6.9 HG3 GLN 72 - HA LYS 73 far 0 58 0 - 6.0-6.7 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 3.5-3.6 3.6=97, 7196/3.0=62...(11) 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 3.3-3.6 7172=100, 7173/1.8=77...(12) H GLU 69 - HB2 GLN 72 far 0 100 0 - 5.9-7.4 Violated in 20 structures by 0.25 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 2.4-2.8 3.0=100 HA LYS 73 + HB2 GLN 72 OK 63 95 70 95 3.8-4.5 3.0/7198=51, ~7199=29...(14) 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 2.5-3.0 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 2.4-2.9 3.0=100 HG2 MET 74 - HB2 GLN 72 far 0 99 0 - 6.6-8.4 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 2.7-3.8 7198=100, 7199/1.8=84...(11) 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 3 assignments used, quality = 1.00: * H GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.1-2.5 7173=100, 7172/1.8=75...(12) H GLU 69 - HB3 GLN 72 far 0 100 0 - 4.3-5.7 H ASP 65 - HB3 GLN 72 far 0 98 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (4.15, 2.23, 28.06 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 73 - HB3 GLN 72 far 5 95 5 - 4.2-5.0 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 8 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 - 4.1-5.3 HB2 GLU 69 - HB3 GLN 72 far 0 63 0 - 4.8-6.1 HG2 GLU 69 - HB3 GLN 72 far 0 63 0 - 5.3-7.0 HG2 GLU 75 - HB3 GLN 72 far 0 99 0 - 6.5-8.9 HG3 GLU 75 - HB3 GLN 72 far 0 99 0 - 6.7-9.1 HB2 GLU 75 - HB3 GLN 72 far 0 81 0 - 8.1-9.3 HB3 GLU 75 - HB3 GLN 72 far 0 84 0 - 8.5-9.5 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 2.2-2.9 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 - 6.4-7.8 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 2 assignments used, quality = 1.00: * H LYS 73 + HB3 GLN 72 OK 100 100 100 100 2.6-3.1 7199=100, 7198/1.8=88...(12) H LYS 66 - HB3 GLN 72 far 0 59 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (7.91, 2.42, 33.99 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.7-4.0 7174=100, 7175/1.8=91...(15) H GLU 69 - HG2 GLN 72 far 0 100 0 - 5.3-7.3 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 2.0-3.6 3.9=100 HA MET 1 - HG3 GLN 50 far 0 97 0 - 5.1-10.3 HA MET 1 - HG2 GLN 50 far 0 71 0 - 5.3-10.7 HA LYS 73 - HG2 GLN 72 far 0 95 0 - 6.0-6.6 HA LYS 47 - HG3 GLN 50 far 0 95 0 - 6.5-11.2 HA LYS 47 - HG2 GLN 50 far 0 68 0 - 6.7-11.7 Violated in 0 structures by 0.00 A. Peak 3211 from cnoeabs.peaks (2.16, 2.42, 33.99 ppm; 3.29 A): 3 out of 12 assignments used, quality = 1.00: * HB2 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.5-3.0 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 HG2 MET 1 - HG3 GLN 50 far 0 63 0 - 6.0-12.4 HG2 MET 1 - HG2 GLN 50 far 0 41 0 - 6.0-12.3 HB3 GLU 69 - HG2 GLN 72 far 0 63 0 - 6.1-7.9 HG2 GLU 75 - HG2 GLN 72 far 0 99 0 - 6.1-9.1 HG2 GLU 69 - HG2 GLN 72 far 0 63 0 - 6.3-9.1 HB2 GLU 69 - HG2 GLN 72 far 0 63 0 - 6.5-8.5 HB2 GLU 75 - HG2 GLN 72 far 0 81 0 - 7.0-9.8 HG3 GLU 75 - HG2 GLN 72 far 0 99 0 - 7.1-10.3 HB3 GLU 75 - HG2 GLN 72 far 0 84 0 - 8.0-10.2 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 3 assignments used, quality = 1.00: * HB3 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 MET 1 - HG3 GLN 50 far 0 59 0 - 6.0-12.4 HG2 MET 1 - HG2 GLN 50 far 0 38 0 - 6.0-12.3 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 - 7.2-9.0 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 2.1-4.1 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 2.1-3.6 3.5=100 H LYS 47 - HG3 GLN 50 far 0 70 0 - 7.6-11.8 H LYS 47 - HG2 GLN 50 far 0 46 0 - 8.3-12.2 HE ARG 46 - HG2 GLN 50 far 0 49 0 - 9.3-14.1 HE ARG 46 - HG3 GLN 50 far 0 74 0 - 9.5-14.3 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 4.6-4.9 7200=100, 7198/3.0=100...(9) H LYS 66 - HG2 GLN 72 far 0 59 0 - 9.8-11.9 H LEU 3 - HG2 GLN 50 far 0 71 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 3218 from cnoeabs.peaks (7.91, 2.54, 33.99 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.8-4.2 7175=100, 7174/1.8=83...(15) H GLU 69 - HG3 GLN 72 far 15 100 15 - 4.4-7.8 H ASP 65 - HG3 GLN 72 far 0 98 0 - 9.7-12.9 Violated in 1 structures by 0.01 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 2.0-3.7 3.9=100 HA LYS 73 - HG3 GLN 72 far 0 95 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 3220 from cnoeabs.peaks (2.16, 2.54, 33.99 ppm; 3.76 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 GLU 69 - HG3 GLN 72 far 0 63 0 - 5.3-8.2 HG2 GLU 69 - HG3 GLN 72 far 0 63 0 - 5.3-9.6 HB2 GLU 69 - HG3 GLN 72 far 0 63 0 - 5.7-8.8 HG2 GLU 75 - HG3 GLN 72 far 0 99 0 - 6.5-9.7 HB2 GLU 75 - HG3 GLN 72 far 0 81 0 - 7.0-9.8 HG3 GLU 75 - HG3 GLN 72 far 0 99 0 - 7.8-10.2 HB3 GLU 75 - HG3 GLN 72 far 0 84 0 - 7.9-10.2 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 1 assignment used, quality = 1.00: * HB3 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.2-3.0 3.0=100 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 3.3-4.1 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 2.1-3.9 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 4.4-5.2 7198/3.0=98, 7200/1.8=97...(9) H LYS 66 - HG3 GLN 72 far 0 59 0 - 9.2-12.4 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 3.5-3.6 3.6=81, 7196/3.0=56...(10) 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 13 assignments used, quality = 1.00: HB3 LYS 73 + HA LYS 73 OK 98 100 100 98 2.3-2.7 3.0=84, 2.9/3231=23...(26) * HB2 LYS 73 + HA LYS 73 OK 98 100 100 98 2.5-3.0 3.0=84, 2.9/3231=23...(25) HB2 LYS 47 + HA LYS 47 OK 53 54 100 98 2.4-2.6 3.0=80, 2134/2.9=34...(30) HB3 LYS 47 + HA LYS 47 OK 33 34 100 98 2.4-3.0 3.0=80, 6771/2.9=23...(32) HB3 ARG 46 - HA LYS 47 far 0 57 0 - 3.9-5.7 HB2 ARG 46 - HA LYS 47 far 0 50 0 - 4.0-5.6 HB3 MET 74 - HA GLN 72 far 0 57 0 - 5.2-6.8 HB2 LYS 73 - HA GLN 72 far 0 58 0 - 5.5-5.8 HB3 MET 74 - HA LYS 73 far 0 100 0 - 5.7-6.6 HB3 LYS 73 - HA GLN 72 far 0 58 0 - 6.4-6.6 HB3 ARG 46 - HA GLN 72 far 0 58 0 - 9.6-12.7 HB2 ARG 46 - HA GLN 72 far 0 50 0 - 9.6-12.6 HB3 MET 74 - HA LYS 47 far 0 57 0 - 9.9-11.9 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 13 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 98 100 100 98 2.3-2.7 3.0=84, 2.9/3231=23...(26) HB2 LYS 73 + HA LYS 73 OK 98 100 100 98 2.5-3.0 3.0=84, 2.9/3231=23...(25) HB2 LYS 47 + HA LYS 47 OK 53 54 100 98 2.4-2.6 3.0=80, 2134/2.9=34...(30) HB3 LYS 47 + HA LYS 47 OK 34 35 100 98 2.4-3.0 3.0=80, 6771/2.9=24...(32) HB3 ARG 46 - HA LYS 47 far 0 57 0 - 3.9-5.7 HB2 ARG 46 - HA LYS 47 far 0 49 0 - 4.0-5.6 HB3 MET 74 - HA GLN 72 far 0 57 0 - 5.2-6.8 HB2 LYS 73 - HA GLN 72 far 0 58 0 - 5.5-5.8 HB3 MET 74 - HA LYS 73 far 0 100 0 - 5.7-6.6 HB3 LYS 73 - HA GLN 72 far 0 58 0 - 6.4-6.6 HB3 ARG 46 - HA GLN 72 far 0 57 0 - 9.6-12.7 HB2 ARG 46 - HA GLN 72 far 0 50 0 - 9.6-12.6 HB3 MET 74 - HA LYS 47 far 0 57 0 - 9.9-11.9 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 6 assignments used, quality = 0.98: * HG2 LYS 73 + HA LYS 73 OK 94 100 95 99 2.4-4.2 4.1=54, 7207/3.0=43...(46) HG2 LYS 47 + HA LYS 47 OK 57 57 100 99 2.6-4.0 3.9=62, 6772/2.9=44...(65) HG2 LYS 73 - HA GLN 72 far 0 58 0 - 5.7-7.3 HG13 ILE 52 - HA LYS 47 far 0 32 0 - 8.8-9.6 HG LEU 2 - HA LYS 47 far 0 45 0 - 8.8-11.0 HG12 ILE 56 - HA GLN 72 far 0 27 0 - 8.9-11.5 Violated in 4 structures by 0.01 A. Peak 3232 from cnoeabs.peaks (1.60, 4.17, 57.87 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-3.9 4.1=74, 7208/3.0=60...(53) HG3 LYS 47 + HA LYS 47 OK 44 44 100 100 2.6-3.8 3.9=84, 6773/2.9=54...(68) HG3 LYS 73 - HA GLN 72 far 0 58 0 - 5.6-6.4 HB2 ARG 79 - HA GLN 72 far 0 58 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 3.73 A): 3 out of 21 assignments used, quality = 0.96: * HD2 LYS 73 + HA LYS 73 OK 80 100 80 100 2.0-4.8 3294=44, 3.0/3231=40...(74) HD3 LYS 73 + HA LYS 73 OK 70 100 70 100 2.1-5.5 3.0/3231=40, 5.1=39...(78) HD2 LYS 47 + HA LYS 47 OK 29 53 55 100 2.1-5.5 5.1=39, 3.0/2169=27...(101) HD3 LYS 47 - HA LYS 47 poor 13 52 25 - 3.6-5.5 HB ILE 76 - HA GLN 72 far 0 45 0 - 4.9-6.2 HD2 LYS 68 - HA GLN 72 far 0 52 0 - 5.4-10.5 HD3 LYS 68 - HA GLN 72 far 0 51 0 - 6.6-10.4 HD2 LYS 73 - HA GLN 72 far 0 58 0 - 6.7-8.3 HD3 LYS 73 - HA GLN 72 far 0 58 0 - 6.7-8.4 HD2 LYS 39 - HA LYS 73 far 0 98 0 - 6.9-10.5 HB ILE 52 - HA LYS 47 far 0 57 0 - 7.2-8.8 HG LEU 70 - HA LYS 73 far 0 75 0 - 7.6-9.2 HB ILE 76 - HA LYS 73 far 0 88 0 - 7.7-8.5 HG2 LYS 68 - HA GLN 72 far 0 43 0 - 7.8-9.5 HD3 LYS 39 - HA LYS 73 far 0 84 0 - 8.2-10.2 HG LEU 70 - HA GLN 72 far 0 36 0 - 8.5-9.8 HD2 LYS 68 - HA LYS 73 far 0 96 0 - 8.9-12.0 HD2 LYS 39 - HA GLN 72 far 0 53 0 - 9.1-12.2 HD3 LYS 66 - HA LYS 73 far 0 70 0 - 9.7-14.2 HB ILE 76 - HA LYS 47 far 0 45 0 - 9.8-11.2 HB3 ARG 79 - HA GLN 72 far 0 53 0 - 9.9-12.1 Violated in 6 structures by 0.05 A. Peak 3234 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 3.61 A): 3 out of 21 assignments used, quality = 0.88: * HD3 LYS 73 + HA LYS 73 OK 70 100 70 100 2.1-5.5 3.0/3231=38, 3.0/3272=35...(78) HD2 LYS 73 + HA LYS 73 OK 50 100 50 100 2.0-4.8 3294=40, 3.0/3231=38...(74) HD2 LYS 47 + HA LYS 47 OK 21 52 40 100 2.1-5.5 5.1=35, 3.0/2169=26...(101) HD3 LYS 47 - HA LYS 47 poor 13 51 25 - 3.6-5.5 HB ILE 76 - HA GLN 72 far 0 47 0 - 4.9-6.2 HD2 LYS 68 - HA GLN 72 far 0 53 0 - 5.4-10.5 HD3 LYS 68 - HA GLN 72 far 0 53 0 - 6.6-10.4 HD2 LYS 73 - HA GLN 72 far 0 58 0 - 6.7-8.3 HD3 LYS 73 - HA GLN 72 far 0 58 0 - 6.7-8.4 HD2 LYS 39 - HA LYS 73 far 0 99 0 - 6.9-10.5 HB ILE 52 - HA LYS 47 far 0 57 0 - 7.2-8.8 HG LEU 70 - HA LYS 73 far 0 71 0 - 7.6-9.2 HB ILE 76 - HA LYS 73 far 0 91 0 - 7.7-8.5 HG2 LYS 68 - HA GLN 72 far 0 45 0 - 7.8-9.5 HD3 LYS 39 - HA LYS 73 far 0 87 0 - 8.2-10.2 HG LEU 70 - HA GLN 72 far 0 34 0 - 8.5-9.8 HD2 LYS 68 - HA LYS 73 far 0 98 0 - 8.9-12.0 HD2 LYS 39 - HA GLN 72 far 0 55 0 - 9.1-12.2 HD3 LYS 66 - HA LYS 73 far 0 65 0 - 9.7-14.2 HB ILE 76 - HA LYS 47 far 0 47 0 - 9.8-11.2 HB3 ARG 79 - HA GLN 72 far 0 55 0 - 9.9-12.1 Violated in 8 structures by 0.09 A. Peak 3235 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.24 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 73 + HA LYS 73 OK 100 100 100 100 4.2-6.1 4.0/3232=55, 4.0/3231=52...(67) HE3 LYS 73 + HA LYS 73 OK 95 100 95 100 3.7-6.4 4.0/3232=55, 4.0/3231=52...(67) HE2 LYS 47 + HA LYS 47 OK 43 45 95 100 2.3-6.5 6.3=58, 3.8/2169=39...(83) HE3 LYS 47 + HA LYS 47 OK 40 45 90 100 3.1-6.4 6.3=58, 3.8/2169=39...(83) HB2 PHE 45 - HA LYS 47 far 0 35 0 - 7.4-7.9 HB3 PHE 45 - HA LYS 47 far 0 51 0 - 7.5-8.0 HE2 LYS 73 - HA GLN 72 far 0 58 0 - 8.0-9.6 HE3 LYS 73 - HA GLN 72 far 0 57 0 - 8.0-9.7 HB2 PHE 45 - HA GLN 72 far 0 35 0 - 9.5-11.6 HB3 PHE 45 - HA GLN 72 far 0 51 0 - 9.9-12.9 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 14 assignments used, quality = 1.00: HE2 LYS 73 + HA LYS 73 OK 100 100 100 100 4.2-6.1 4.0/3232=55, 4.0/3231=52...(67) * HE3 LYS 73 + HA LYS 73 OK 95 100 95 100 3.7-6.4 4.0/3232=55, 4.0/3231=52...(67) HE2 LYS 47 + HA LYS 47 OK 38 40 95 100 2.3-6.5 6.3=58, 3.8/2169=39...(83) HE3 LYS 47 + HA LYS 47 OK 36 40 90 100 3.1-6.4 6.3=58, 3.8/2169=39...(83) HE3 LYS 68 - HA GLN 72 far 0 29 0 - 6.5-11.3 HE2 LYS 68 - HA GLN 72 far 0 31 0 - 6.9-10.9 HB2 PHE 45 - HA LYS 47 far 0 30 0 - 7.4-7.9 HB3 PHE 45 - HA LYS 47 far 0 47 0 - 7.5-8.0 HE2 LYS 73 - HA GLN 72 far 0 57 0 - 8.0-9.6 HE3 LYS 73 - HA GLN 72 far 0 58 0 - 8.0-9.7 HE2 LYS 68 - HA LYS 73 far 0 65 0 - 8.5-13.0 HE3 LYS 68 - HA LYS 73 far 0 61 0 - 9.4-13.5 HB2 PHE 45 - HA GLN 72 far 0 30 0 - 9.5-11.6 HB3 PHE 45 - HA GLN 72 far 0 47 0 - 9.9-12.9 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 3.8-4.3 7213/3.6=61, 7216=48...(12) H SER 49 - HA LYS 47 poor 20 47 60 70 3.8-5.6 6795/3.6=52, 9076/2.9=18...(6) H VAL 78 - HA GLN 72 far 0 56 0 - 5.2-6.6 H VAL 78 - HA LYS 73 far 0 99 0 - 9.9-11.2 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 2.1-2.6 7205=50, 7208/2.9=44...(29) H LYS 73 + HB3 LYS 73 OK 99 100 100 99 3.5-3.6 7205=50, 7208/2.9=44...(27) H ASN 26 - HB3 LYS 24 far 0 91 0 - 4.9-5.6 H ASN 26 - HB2 LYS 24 far 0 91 0 - 5.0-5.6 H LEU 3 - HB2 MET 1 far 0 57 0 - 5.8-7.7 H ASN 26 - HB3 LYS 20 far 0 75 0 - 9.4-10.1 H LYS 66 - HB2 LYS 73 far 0 59 0 - 9.9-11.1 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 11 assignments used, quality = 1.00: * HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.4-2.6 3.0=100 HA MET 1 + HB2 MET 1 OK 53 53 100 100 2.4-3.0 3.0=100 HA GLN 72 - HB2 LYS 73 far 0 95 0 - 5.5-5.8 HA GLU 23 - HB2 LYS 24 far 0 72 0 - 5.6-6.6 HA GLU 23 - HB3 LYS 24 far 0 72 0 - 5.6-6.6 HA GLN 72 - HB3 LYS 73 far 0 95 0 - 6.4-6.6 HA GLU 23 - HB3 LYS 20 far 0 57 0 - 7.6-8.1 HA GLU 98 - HB2 MET 1 far 0 51 0 - 7.8-11.7 HA LYS 13 - HB3 LYS 20 far 0 66 0 - 8.2-10.3 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 28 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HB2 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 2.3-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 67 0 - 4.4-8.7 HG2 LYS 20 - HB2 LYS 24 far 0 56 0 - 5.7-9.8 HG3 LYS 53 - HB2 MET 1 far 0 44 0 - 5.7-9.6 HG2 LYS 20 - HB3 LYS 24 far 0 56 0 - 5.9-10.0 HD2 LYS 53 - HB2 MET 1 far 0 34 0 - 5.9-10.1 HG LEU 2 - HB2 MET 1 far 0 45 0 - 6.8-7.7 HG2 LYS 53 - HB2 MET 1 far 0 39 0 - 7.2-8.7 HB2 LEU 27 - HB3 LYS 24 far 0 56 0 - 7.2-9.7 HB2 LEU 27 - HB2 LYS 24 far 0 56 0 - 7.4-9.2 HG LEU 2 - HB2 LYS 47 far 0 77 0 - 7.8-10.7 HG LEU 38 - HB2 LYS 73 far 0 71 0 - 7.9-12.5 HG13 ILE 52 - HB2 MET 1 far 0 32 0 - 8.1-10.2 HB2 LEU 38 - HB2 LYS 73 far 0 63 0 - 8.2-12.2 HG13 ILE 52 - HB2 LYS 47 far 0 57 0 - 8.7-9.8 HG2 LYS 66 - HB2 LYS 73 far 0 100 0 - 8.7-11.5 HG LEU 38 - HB3 LYS 73 far 0 71 0 - 9.2-13.5 HB2 LEU 38 - HB3 LYS 73 far 0 63 0 - 9.3-13.1 HG3 LYS 66 - HB2 LYS 73 far 0 100 0 - 9.4-11.7 HB2 LEU 27 - HB3 LYS 20 far 0 43 0 - 9.7-10.8 HG3 LYS 13 - HB3 LYS 20 far 0 74 0 - 9.8-13.5 HG2 LYS 66 - HB3 LYS 73 far 0 100 0 - 9.9-12.7 HB2 ARG 91 - HB3 LYS 20 far 0 74 0 - 9.9-14.7 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 + HB2 LYS 24 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.3-2.8 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.3-3.0 3.0=97, 6773/2134=25...(70) HG2 ARG 19 - HB3 LYS 20 far 0 70 0 - 4.0-7.7 HG3 LYS 90 - HB3 LYS 20 far 0 69 0 - 4.7-9.4 HG2 LYS 24 - HB3 LYS 20 far 0 71 0 - 5.2-7.4 HD3 LYS 94 - HB2 LYS 24 far 0 91 0 - 5.5-10.6 HD3 LYS 94 - HB3 LYS 24 far 0 91 0 - 6.4-9.9 HD2 LYS 94 - HB2 LYS 24 far 0 71 0 - 6.4-9.9 HD2 LYS 94 - HB3 LYS 24 far 0 71 0 - 6.4-9.9 HG LEU 27 - HB2 LYS 24 far 0 91 0 - 6.9-8.9 HG3 LYS 90 - HB3 LYS 24 far 0 85 0 - 7.1-11.7 HG LEU 27 - HB3 LYS 24 far 0 91 0 - 7.2-8.6 HG2 ARG 19 - HB2 LYS 24 far 0 86 0 - 7.8-12.9 HB3 LEU 29 - HB3 LYS 20 far 0 75 0 - 7.9-9.2 HG3 LYS 90 - HB2 LYS 24 far 0 85 0 - 8.0-12.0 HD2 LYS 66 - HB2 LYS 73 far 0 100 0 - 8.3-12.5 HG LEU 27 - HB2 MET 1 far 0 58 0 - 8.4-11.4 HD3 LYS 94 - HB3 LYS 20 far 0 75 0 - 9.0-13.2 HB3 LEU 29 - HB3 LYS 24 far 0 91 0 - 9.0-11.8 HD2 LYS 66 - HB3 LYS 73 far 0 100 0 - 9.2-13.8 HG2 ARG 19 - HB3 LYS 24 far 0 86 0 - 9.3-13.0 HD2 LYS 94 - HB3 LYS 20 far 0 56 0 - 9.7-12.8 HB3 LEU 29 - HB2 LYS 24 far 0 91 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3244 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.76 A): 12 out of 45 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.1-3.5 3.6=45, 3298/2.9=18...(117) * HD2 LYS 73 + HB2 LYS 73 OK 79 100 80 99 2.3-4.2 3.6=45, 3298/2.9=18...(131) HG3 LYS 20 + HB3 LYS 20 OK 71 73 100 96 2.2-3.0 3.0=81, 893/4.0=21...(39) HD3 LYS 73 + HB2 LYS 73 OK 69 100 70 99 2.8-4.2 3.6=45, 3298/2.9=18...(140) HD3 LYS 73 + HB3 LYS 73 OK 69 100 70 99 2.0-3.8 3.6=45, 3298/2.9=18...(128) HD2 LYS 47 + HB2 LYS 47 OK 64 87 75 98 2.2-3.8 3.9=34, 6774/4.0=10...(119) HD3 LYS 20 + HB3 LYS 20 OK 59 73 85 95 2.0-3.7 3.5=48, ~848=9...(76) HD2 LYS 24 + HB2 LYS 24 OK 56 68 85 98 2.5-3.8 3.6=46, 1107/3.0=11...(119) HD2 LYS 20 + HB3 LYS 20 OK 48 72 70 95 2.0-4.2 3.5=48, ~848=9...(75) HD3 LYS 47 + HB2 LYS 47 OK 47 87 55 98 3.1-4.0 3.9=34, 6774/4.0=10...(124) HD2 LYS 24 + HB3 LYS 24 OK 30 68 45 98 2.5-3.9 3.6=46, 1107/3.0=11...(117) HD3 LYS 24 + HB2 LYS 24 OK 26 66 40 98 2.4-4.2 3.6=46, 1118/3.0=12...(121) HD3 LYS 24 - HB3 LYS 24 poor 17 66 25 - 2.1-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 52 0 - 4.1-9.3 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 75 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 53 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 5.1-9.7 HD3 LYS 90 - HB3 LYS 20 far 0 52 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 33 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 84 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 84 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 75 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 50 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 88 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 88 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 88 0 - 7.5-9.1 HB ILE 52 - HB2 LYS 47 far 0 92 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 66 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 70 0 - 7.7-11.8 HB ILE 52 - HB2 MET 1 far 0 57 0 - 8.0-10.2 HB ILE 76 - HB3 LYS 73 far 0 88 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 46 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 96 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 43 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 85 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 69 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 66 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 59 0 - 9.9-11.7 HD3 LYS 68 - HB2 LYS 73 far 0 96 0 - 9.9-12.1 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 45 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.5 3.6=50, 3298/2.9=19...(125) HD3 LYS 73 + HB3 LYS 73 OK 94 100 95 99 2.0-3.8 3.6=50, 3298/2.9=19...(134) HD2 LYS 73 + HB2 LYS 73 OK 84 100 85 99 2.3-4.2 3.6=50, 3298/2.9=19...(133) * HD3 LYS 73 + HB2 LYS 73 OK 75 100 75 99 2.8-4.2 3.6=50, 3298/2.9=19...(141) HG3 LYS 20 + HB3 LYS 20 OK 71 72 100 98 2.2-3.0 3.0=90, 893/4.0=22...(45) HD3 LYS 20 + HB3 LYS 20 OK 70 72 100 96 2.0-3.7 3.5=52, ~848=10...(78) HD2 LYS 47 + HB2 LYS 47 OK 67 86 80 98 2.2-3.8 3.9=37, 6774/4.0=11...(124) HD2 LYS 24 + HB2 LYS 24 OK 60 64 95 99 2.5-3.8 3.6=51, 1107/3.0=11...(119) HD3 LYS 47 + HB2 LYS 47 OK 59 85 70 99 3.1-4.0 3.9=37, 6774/4.0=10...(131) HD2 LYS 24 + HB3 LYS 24 OK 57 64 90 99 2.5-3.9 3.6=51, 1107/3.0=11...(118) HD2 LYS 20 + HB3 LYS 20 OK 54 71 80 96 2.0-4.2 3.5=52, ~848=10...(78) HD3 LYS 24 + HB3 LYS 24 OK 28 63 45 99 2.1-4.2 3.6=51, 1118/3.0=12...(121) HD3 LYS 24 + HB2 LYS 24 OK 25 63 40 99 2.4-4.2 3.6=51, 1118/3.0=12...(123) HD3 LYS 24 - HB3 LYS 20 far 0 49 0 - 4.1-9.3 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 99 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 71 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 50 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 5.1-9.7 HD3 LYS 90 - HB3 LYS 20 far 0 49 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 31 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 87 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 87 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 71 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 48 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 87 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 87 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 91 0 - 7.5-9.1 HB ILE 52 - HB2 LYS 47 far 0 91 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 63 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 65 0 - 7.7-11.8 HB ILE 52 - HB2 MET 1 far 0 57 0 - 8.0-10.2 HB ILE 76 - HB3 LYS 73 far 0 91 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 43 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 98 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 40 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 88 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 65 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 63 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 55 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 55 0 - 9.9-11.7 HD3 LYS 68 - HB2 LYS 73 far 0 97 0 - 9.9-12.1 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 31 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.8 4.9=52, 7211/4.1=14...(122) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-4.6 4.9=52, 7212/4.1=14...(127) * HE2 LYS 73 + HB2 LYS 73 OK 90 100 90 100 3.4-5.1 4.9=52, 7211/4.1=14...(132) HE2 LYS 24 + HB2 LYS 24 OK 83 87 95 100 2.1-5.0 4.9=50, 12306/3.0=20...(118) HE2 LYS 47 + HB2 LYS 47 OK 77 77 100 100 2.0-4.6 4.9=52, 563/1.8=20...(131) HE3 LYS 47 + HB2 LYS 47 OK 77 77 100 100 2.0-4.4 4.9=52, 563/1.8=23...(131) HE3 LYS 73 + HB2 LYS 73 OK 75 100 75 100 3.3-5.2 4.9=52, 7212/4.1=14...(129) HE3 LYS 24 + HB2 LYS 24 OK 70 87 80 100 2.2-5.4 4.9=50, 12306/3.0=20...(118) HE3 LYS 24 + HB3 LYS 24 OK 70 87 80 100 2.3-5.4 4.9=50, 12306/3.0=20...(118) HE2 LYS 24 + HB3 LYS 24 OK 61 87 70 100 2.1-5.5 4.9=50, 12306/3.0=20...(118) HE3 LYS 20 + HB3 LYS 20 OK 39 39 100 100 2.1-4.7 4.7=57, 1.8/929=15...(99) HB2 ASN 51 + HB2 MET 1 OK 36 57 65 98 3.3-5.6 9131/3.0=48, 8030/4.2=41...(16) HE2 LYS 20 + HB3 LYS 20 OK 33 37 90 100 2.3-5.0 4.7=57, 1.8/929=16...(100) HG2 MET 21 - HB3 LYS 20 far 11 71 15 - 4.0-7.5 HE2 LYS 94 - HB3 LYS 24 far 9 63 15 - 4.1-11.2 HE3 LYS 24 - HB3 LYS 20 far 7 71 10 - 4.3-9.9 HE2 LYS 94 - HB2 LYS 24 far 3 63 5 - 3.5-11.9 HG2 MET 21 - HB3 LYS 24 far 0 87 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 71 0 - 4.9-10.5 HG2 MET 21 - HB2 LYS 24 far 0 87 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 68 0 - 5.5-9.9 HE2 LYS 20 - HB3 LYS 24 far 0 48 0 - 6.5-11.2 HE3 LYS 20 - HB3 LYS 24 far 0 50 0 - 6.7-11.9 HE2 LYS 20 - HB2 LYS 24 far 0 48 0 - 7.0-11.8 HE3 LYS 20 - HB2 LYS 24 far 0 50 0 - 7.8-11.5 HB3 PHE 45 - HB2 LYS 47 far 0 85 0 - 7.8-8.5 HE2 LYS 94 - HB3 LYS 20 far 0 49 0 - 7.8-15.6 HB2 PHE 45 - HB2 LYS 47 far 0 62 0 - 8.0-8.7 HE2 LYS 13 - HB3 LYS 20 far 0 72 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 9.3-12.7 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 37 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-4.6 4.9=52, 7212/4.1=14...(127) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.8 4.9=52, 3236/3.0=14...(122) HE2 LYS 73 + HB2 LYS 73 OK 90 100 90 100 3.4-5.1 4.9=52, 3236/3.0=14...(132) HE2 LYS 24 + HB2 LYS 24 OK 79 83 95 100 2.1-5.0 4.9=50, ~12306=19...(118) * HE3 LYS 73 + HB2 LYS 73 OK 75 100 75 100 3.3-5.2 4.9=52, 7212/4.1=14...(129) HE2 LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.0-4.6 4.9=52, 563/1.8=19...(131) HE3 LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.0-4.4 4.9=52, 563/1.8=22...(131) HE3 LYS 24 + HB2 LYS 24 OK 67 83 80 100 2.2-5.4 4.9=50, ~12306=19...(118) HE3 LYS 24 + HB3 LYS 24 OK 67 83 80 100 2.3-5.4 4.9=50, ~12306=19...(118) HE2 LYS 24 + HB3 LYS 24 OK 58 83 70 100 2.1-5.5 4.9=50, ~12306=19...(118) HE3 LYS 20 + HB3 LYS 20 OK 46 46 100 100 2.1-4.7 4.7=57, 1.8/929=15...(99) HE2 LYS 20 + HB3 LYS 20 OK 40 45 90 100 2.3-5.0 4.7=57, 1.8/929=16...(100) HB2 ASN 51 + HB2 MET 1 OK 37 58 65 98 3.3-5.6 9131/3.0=48, 8030/4.2=41...(16) HG2 MET 21 - HB3 LYS 20 far 11 74 15 - 4.0-7.5 HE2 LYS 94 - HB3 LYS 24 far 11 71 15 - 4.1-11.2 HE3 LYS 24 - HB3 LYS 20 far 7 67 10 - 4.3-9.9 HE2 LYS 94 - HB2 LYS 24 far 4 71 5 - 3.5-11.9 HE3 LYS 94 - HB2 LYS 24 far 3 56 5 - 4.8-12.3 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 67 0 - 4.9-10.5 HE3 LYS 94 - HB3 LYS 24 far 0 56 0 - 5.0-11.0 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 72 0 - 5.5-9.9 HE2 LYS 20 - HB3 LYS 24 far 0 57 0 - 6.5-11.2 HE3 LYS 20 - HB3 LYS 24 far 0 59 0 - 6.7-11.9 HE2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.0-11.8 HE3 LYS 20 - HB2 LYS 24 far 0 59 0 - 7.8-11.5 HB3 PHE 45 - HB2 LYS 47 far 0 79 0 - 7.8-8.5 HE2 LYS 94 - HB3 LYS 20 far 0 56 0 - 7.8-15.6 HB2 PHE 45 - HB2 LYS 47 far 0 53 0 - 8.0-8.7 HE2 LYS 68 - HB2 LYS 73 far 0 65 0 - 8.2-12.4 HE3 LYS 94 - HB3 LYS 20 far 0 43 0 - 8.3-15.2 HE2 LYS 13 - HB3 LYS 20 far 0 69 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 88 0 - 8.8-12.4 HE3 LYS 68 - HB2 LYS 73 far 0 61 0 - 9.0-12.8 HE3 LYS 90 - HB2 LYS 24 far 0 88 0 - 9.3-12.7 HE2 LYS 68 - HB3 LYS 73 far 0 65 0 - 9.6-13.8 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 7 assignments used, quality = 1.00: * H MET 74 + HB2 LYS 73 OK 97 100 100 97 2.7-4.1 7213/4.1=41, 4.6=40...(18) H MET 74 + HB3 LYS 73 OK 96 100 100 96 3.3-4.3 7213/4.1=41, 4.6=40...(15) H ALA 25 + HB2 LYS 24 OK 50 54 100 94 3.1-4.3 4.4=48, 6391/4.0=26...(15) H ALA 25 + HB3 LYS 24 OK 50 54 100 93 3.1-4.3 4.4=48, 6391/4.0=26...(15) H SER 49 - HB2 LYS 47 far 0 79 0 - 5.0-6.6 H ALA 25 - HB3 LYS 20 far 0 42 0 - 7.5-8.5 H VAL 78 - HB2 LYS 73 far 0 99 0 - 9.9-11.6 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 2.1-2.6 7206=50, 7208/2.9=44...(29) * H LYS 73 + HB3 LYS 73 OK 99 100 100 99 3.5-3.6 7206=50, 7208/2.9=44...(27) H ASN 26 - HB3 LYS 24 far 0 90 0 - 4.9-5.6 H ASN 26 - HB2 LYS 24 far 0 90 0 - 5.0-5.6 H LEU 3 - HB2 MET 1 far 0 59 0 - 5.8-7.7 H ASN 26 - HB3 LYS 20 far 0 77 0 - 9.4-10.1 H LYS 66 - HB2 LYS 73 far 0 59 0 - 9.9-11.1 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 11 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.4-2.6 3.0=100 HA MET 1 + HB2 MET 1 OK 54 54 100 100 2.4-3.0 3.0=100 HA GLN 72 - HB2 LYS 73 far 0 95 0 - 5.5-5.8 HA GLU 23 - HB2 LYS 24 far 0 72 0 - 5.6-6.6 HA GLU 23 - HB3 LYS 24 far 0 72 0 - 5.6-6.6 HA GLN 72 - HB3 LYS 73 far 0 95 0 - 6.4-6.6 HA GLU 23 - HB3 LYS 20 far 0 59 0 - 7.6-8.1 HA GLU 98 - HB2 MET 1 far 0 53 0 - 7.8-11.7 HA LYS 13 - HB3 LYS 20 far 0 69 0 - 8.2-10.3 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 28 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.4-3.0 2.9=100 HG3 LYS 24 + HB2 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 2.3-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 70 0 - 4.4-8.7 HG2 LYS 20 - HB2 LYS 24 far 0 55 0 - 5.7-9.8 HG3 LYS 53 - HB2 MET 1 far 0 45 0 - 5.7-9.6 HG2 LYS 20 - HB3 LYS 24 far 0 55 0 - 5.9-10.0 HD2 LYS 53 - HB2 MET 1 far 0 35 0 - 5.9-10.1 HG LEU 2 - HB2 MET 1 far 0 46 0 - 6.8-7.7 HG2 LYS 53 - HB2 MET 1 far 0 40 0 - 7.2-8.7 HB2 LEU 27 - HB3 LYS 24 far 0 55 0 - 7.2-9.7 HB2 LEU 27 - HB2 LYS 24 far 0 55 0 - 7.4-9.2 HG LEU 2 - HB2 LYS 47 far 0 75 0 - 7.8-10.7 HG LEU 38 - HB2 LYS 73 far 0 71 0 - 7.9-12.5 HG13 ILE 52 - HB2 MET 1 far 0 33 0 - 8.1-10.2 HB2 LEU 38 - HB2 LYS 73 far 0 63 0 - 8.2-12.2 HG13 ILE 52 - HB2 LYS 47 far 0 56 0 - 8.7-9.8 HG2 LYS 66 - HB2 LYS 73 far 0 100 0 - 8.7-11.5 HG LEU 38 - HB3 LYS 73 far 0 71 0 - 9.2-13.5 HB2 LEU 38 - HB3 LYS 73 far 0 63 0 - 9.3-13.1 HG3 LYS 66 - HB2 LYS 73 far 0 100 0 - 9.4-11.7 HB2 LEU 27 - HB3 LYS 20 far 0 45 0 - 9.7-10.8 HG3 LYS 13 - HB3 LYS 20 far 0 76 0 - 9.8-13.5 HG2 LYS 66 - HB3 LYS 73 far 0 100 0 - 9.9-12.7 HB2 ARG 91 - HB3 LYS 20 far 0 76 0 - 9.9-14.7 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 + HB2 LYS 24 OK 86 86 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 86 86 100 100 2.3-2.8 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...(70) HG2 ARG 19 - HB3 LYS 20 far 0 72 0 - 4.0-7.7 HG3 LYS 90 - HB3 LYS 20 far 0 71 0 - 4.7-9.4 HG2 LYS 24 - HB3 LYS 20 far 0 73 0 - 5.2-7.4 HD3 LYS 94 - HB2 LYS 24 far 0 90 0 - 5.5-10.6 HD3 LYS 94 - HB3 LYS 24 far 0 90 0 - 6.4-9.9 HD2 LYS 94 - HB2 LYS 24 far 0 70 0 - 6.4-9.9 HD2 LYS 94 - HB3 LYS 24 far 0 70 0 - 6.4-9.9 HG LEU 27 - HB2 LYS 24 far 0 90 0 - 6.9-8.9 HG3 LYS 90 - HB3 LYS 24 far 0 85 0 - 7.1-11.7 HG LEU 27 - HB3 LYS 24 far 0 90 0 - 7.2-8.6 HG2 ARG 19 - HB2 LYS 24 far 0 85 0 - 7.8-12.9 HB3 LEU 29 - HB3 LYS 20 far 0 77 0 - 7.9-9.2 HG3 LYS 90 - HB2 LYS 24 far 0 85 0 - 8.0-12.0 HD2 LYS 66 - HB2 LYS 73 far 0 100 0 - 8.3-12.5 HG LEU 27 - HB2 MET 1 far 0 59 0 - 8.4-11.4 HD3 LYS 94 - HB3 LYS 20 far 0 77 0 - 9.0-13.2 HB3 LEU 29 - HB3 LYS 24 far 0 90 0 - 9.0-11.8 HD2 LYS 66 - HB3 LYS 73 far 0 100 0 - 9.2-13.8 HG2 ARG 19 - HB3 LYS 24 far 0 85 0 - 9.3-13.0 HD2 LYS 94 - HB3 LYS 20 far 0 58 0 - 9.7-12.8 HB3 LEU 29 - HB2 LYS 24 far 0 90 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3255 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.76 A): 12 out of 45 assignments used, quality = 1.00: * HD2 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.1-3.5 3.6=45, 3298/2.9=18...(117) HD2 LYS 73 + HB2 LYS 73 OK 79 100 80 99 2.3-4.2 3.6=45, 3298/2.9=18...(131) HG3 LYS 20 + HB3 LYS 20 OK 73 76 100 96 2.2-3.0 3.0=81, 893/4.0=21...(39) HD3 LYS 73 + HB2 LYS 73 OK 69 100 70 99 2.8-4.2 3.6=45, 3298/2.9=18...(140) HD3 LYS 73 + HB3 LYS 73 OK 69 100 70 99 2.0-3.8 3.6=45, 3298/2.9=18...(128) HD2 LYS 47 + HB2 LYS 47 OK 63 86 75 98 2.2-3.8 3.9=34, 6774/4.0=10...(119) HD3 LYS 20 + HB3 LYS 20 OK 61 76 85 95 2.0-3.7 3.5=48, ~848=9...(76) HD2 LYS 24 + HB2 LYS 24 OK 56 67 85 98 2.5-3.8 3.6=46, 1107/3.0=11...(119) HD2 LYS 20 + HB3 LYS 20 OK 49 74 70 95 2.0-4.2 3.5=48, ~848=9...(75) HD3 LYS 47 + HB2 LYS 47 OK 46 85 55 98 3.1-4.0 3.9=34, 6774/4.0=10...(124) HD2 LYS 24 + HB3 LYS 24 OK 30 67 45 98 2.5-3.9 3.6=46, 1107/3.0=11...(117) HD3 LYS 24 + HB2 LYS 24 OK 26 65 40 98 2.4-4.2 3.6=46, 1118/3.0=12...(121) HD3 LYS 24 - HB3 LYS 24 poor 16 65 25 - 2.1-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 54 0 - 4.1-9.3 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 75 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 55 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 5.1-9.7 HD3 LYS 90 - HB3 LYS 20 far 0 54 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 34 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 84 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 84 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 75 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 51 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 87 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 87 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 88 0 - 7.5-9.1 HB ILE 52 - HB2 LYS 47 far 0 91 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 65 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 69 0 - 7.7-11.8 HB ILE 52 - HB2 MET 1 far 0 59 0 - 8.0-10.2 HB ILE 76 - HB3 LYS 73 far 0 88 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 48 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 96 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 45 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 85 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 70 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 65 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 59 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 58 0 - 9.9-11.7 HD3 LYS 68 - HB2 LYS 73 far 0 96 0 - 9.9-12.1 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 45 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.5 3.6=50, 3298/2.9=19...(125) * HD3 LYS 73 + HB3 LYS 73 OK 94 100 95 99 2.0-3.8 3.6=50, 3298/2.9=19...(134) HD2 LYS 73 + HB2 LYS 73 OK 84 100 85 99 2.3-4.2 3.6=50, 3298/2.9=19...(133) HD3 LYS 73 + HB2 LYS 73 OK 75 100 75 99 2.8-4.2 3.6=50, 3298/2.9=19...(141) HG3 LYS 20 + HB3 LYS 20 OK 73 75 100 98 2.2-3.0 3.0=90, 893/4.0=22...(45) HD3 LYS 20 + HB3 LYS 20 OK 72 75 100 96 2.0-3.7 3.5=52, ~848=10...(78) HD2 LYS 47 + HB2 LYS 47 OK 67 84 80 98 2.2-3.8 3.9=37, 6774/4.0=11...(124) HD2 LYS 24 + HB2 LYS 24 OK 60 64 95 99 2.5-3.8 3.6=51, 1107/3.0=11...(119) HD3 LYS 47 + HB2 LYS 47 OK 58 84 70 99 3.1-4.0 3.9=37, 6774/4.0=10...(131) HD2 LYS 24 + HB3 LYS 24 OK 57 64 90 99 2.5-3.9 3.6=51, 1107/3.0=11...(118) HD2 LYS 20 + HB3 LYS 20 OK 56 73 80 96 2.0-4.2 3.5=52, ~848=10...(78) HD3 LYS 24 + HB3 LYS 24 OK 28 62 45 99 2.1-4.2 3.6=51, 1118/3.0=12...(121) HD3 LYS 24 + HB2 LYS 24 OK 25 62 40 99 2.4-4.2 3.6=51, 1118/3.0=12...(123) HD3 LYS 24 - HB3 LYS 20 far 0 51 0 - 4.1-9.3 HD2 LYS 39 - HB3 LYS 73 far 0 99 0 - 4.4-9.0 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 4.5-8.8 HG LEU 70 - HB2 LYS 73 far 0 71 0 - 4.8-6.3 HD2 LYS 24 - HB3 LYS 20 far 0 52 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 88 0 - 5.1-9.7 HD3 LYS 90 - HB3 LYS 20 far 0 51 0 - 5.5-10.1 HB2 LEU 2 - HB2 MET 1 far 0 32 0 - 5.7-7.5 HD3 LYS 39 - HB3 LYS 73 far 0 87 0 - 5.7-8.9 HD3 LYS 39 - HB2 LYS 73 far 0 87 0 - 5.8-9.0 HG LEU 70 - HB3 LYS 73 far 0 71 0 - 6.0-7.6 HD3 LYS 20 - HB2 LYS 24 far 0 88 0 - 6.5-11.0 HG3 LYS 20 - HB2 LYS 24 far 0 88 0 - 6.5-10.1 HB3 LYS 53 - HB2 MET 1 far 0 49 0 - 6.5-9.1 HD3 LYS 20 - HB3 LYS 24 far 0 88 0 - 7.1-11.4 HD2 LYS 20 - HB2 LYS 24 far 0 86 0 - 7.2-11.4 HD2 LYS 20 - HB3 LYS 24 far 0 86 0 - 7.4-10.9 HB ILE 76 - HB2 LYS 73 far 0 91 0 - 7.5-9.1 HB ILE 52 - HB2 LYS 47 far 0 90 0 - 7.5-9.4 HD3 LYS 90 - HB2 LYS 24 far 0 62 0 - 7.7-12.4 HD3 LYS 66 - HB2 LYS 73 far 0 65 0 - 7.7-11.8 HB ILE 52 - HB2 MET 1 far 0 58 0 - 8.0-10.2 HB ILE 76 - HB3 LYS 73 far 0 91 0 - 8.2-9.5 HD2 LYS 13 - HB3 LYS 20 far 0 45 0 - 8.3-13.1 HD2 LYS 68 - HB2 LYS 73 far 0 98 0 - 8.4-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 42 0 - 8.5-13.4 HG2 LYS 68 - HB2 LYS 73 far 0 88 0 - 8.7-10.9 HD3 LYS 66 - HB3 LYS 73 far 0 65 0 - 8.7-13.2 HD3 LYS 90 - HB3 LYS 24 far 0 62 0 - 9.1-11.4 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.6-12.7 HB2 LEU 2 - HB2 LYS 47 far 0 54 0 - 9.9-11.7 HD3 LYS 68 - HB2 LYS 73 far 0 97 0 - 9.9-12.1 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 31 assignments used, quality = 1.00: * HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.8 4.9=52, 7211/4.1=14...(122) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-4.6 4.9=52, 7212/4.1=14...(127) HE2 LYS 73 + HB2 LYS 73 OK 90 100 90 100 3.4-5.1 4.9=52, 7211/4.1=14...(132) HE2 LYS 24 + HB2 LYS 24 OK 82 87 95 100 2.1-5.0 4.9=50, 12306/3.0=20...(118) HE2 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.0-4.6 4.9=52, 563/1.8=20...(131) HE3 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.0-4.4 4.9=52, 563/1.8=23...(131) HE3 LYS 73 + HB2 LYS 73 OK 75 100 75 100 3.3-5.2 4.9=52, 7212/4.1=14...(129) HE3 LYS 24 + HB2 LYS 24 OK 69 87 80 100 2.2-5.4 4.9=50, 12306/3.0=20...(118) HE3 LYS 24 + HB3 LYS 24 OK 69 87 80 100 2.3-5.4 4.9=50, 12306/3.0=20...(118) HE2 LYS 24 + HB3 LYS 24 OK 61 87 70 100 2.1-5.5 4.9=50, 12306/3.0=20...(118) HE3 LYS 20 + HB3 LYS 20 OK 40 40 100 100 2.1-4.7 4.7=57, 1.8/929=15...(99) HB2 ASN 51 + HB2 MET 1 OK 37 58 65 98 3.3-5.6 9131/3.0=48, 8030/4.2=41...(16) HE2 LYS 20 + HB3 LYS 20 OK 35 39 90 100 2.3-5.0 4.7=57, 1.8/929=16...(100) HG2 MET 21 - HB3 LYS 20 far 11 74 15 - 4.0-7.5 HE2 LYS 94 - HB3 LYS 24 far 9 62 15 - 4.1-11.2 HE3 LYS 24 - HB3 LYS 20 far 7 74 10 - 4.3-9.9 HE2 LYS 94 - HB2 LYS 24 far 3 62 5 - 3.5-11.9 HG2 MET 21 - HB3 LYS 24 far 0 87 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 74 0 - 4.9-10.5 HG2 MET 21 - HB2 LYS 24 far 0 87 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 70 0 - 5.5-9.9 HE2 LYS 20 - HB3 LYS 24 far 0 48 0 - 6.5-11.2 HE3 LYS 20 - HB3 LYS 24 far 0 50 0 - 6.7-11.9 HE2 LYS 20 - HB2 LYS 24 far 0 48 0 - 7.0-11.8 HE3 LYS 20 - HB2 LYS 24 far 0 50 0 - 7.8-11.5 HB3 PHE 45 - HB2 LYS 47 far 0 84 0 - 7.8-8.5 HE2 LYS 94 - HB3 LYS 20 far 0 51 0 - 7.8-15.6 HB2 PHE 45 - HB2 LYS 47 far 0 61 0 - 8.0-8.7 HE2 LYS 13 - HB3 LYS 20 far 0 75 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 8.8-12.4 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 9.3-12.7 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 37 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-4.6 4.9=52, 7212/4.1=14...(127) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.8 4.9=52, 3236/3.0=14...(122) HE2 LYS 73 + HB2 LYS 73 OK 90 100 90 100 3.4-5.1 4.9=52, 3236/3.0=14...(132) HE2 LYS 24 + HB2 LYS 24 OK 79 83 95 100 2.1-5.0 4.9=50, ~12306=19...(118) HE3 LYS 73 + HB2 LYS 73 OK 75 100 75 100 3.3-5.2 4.9=52, 7212/4.1=14...(129) HE2 LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.0-4.6 4.9=52, 563/1.8=19...(131) HE3 LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.0-4.4 4.9=52, 563/1.8=22...(131) HE3 LYS 24 + HB2 LYS 24 OK 66 83 80 100 2.2-5.4 4.9=50, ~12306=19...(118) HE3 LYS 24 + HB3 LYS 24 OK 66 83 80 100 2.3-5.4 4.9=50, ~12306=19...(118) HE2 LYS 24 + HB3 LYS 24 OK 58 83 70 100 2.1-5.5 4.9=50, ~12306=19...(118) HE3 LYS 20 + HB3 LYS 20 OK 48 48 100 100 2.1-4.7 4.7=57, 1.8/929=15...(99) HE2 LYS 20 + HB3 LYS 20 OK 42 46 90 100 2.3-5.0 4.7=57, 1.8/929=16...(100) HB2 ASN 51 + HB2 MET 1 OK 38 59 65 98 3.3-5.6 9131/3.0=48, 8030/4.2=41...(16) HG2 MET 21 - HB3 LYS 20 far 11 76 15 - 4.0-7.5 HE2 LYS 94 - HB3 LYS 24 far 11 70 15 - 4.1-11.2 HE3 LYS 24 - HB3 LYS 20 far 7 70 10 - 4.3-9.9 HE2 LYS 94 - HB2 LYS 24 far 4 70 5 - 3.5-11.9 HE3 LYS 94 - HB2 LYS 24 far 3 55 5 - 4.8-12.3 HG2 MET 21 - HB3 LYS 24 far 0 89 0 - 4.9-8.1 HE2 LYS 24 - HB3 LYS 20 far 0 70 0 - 4.9-10.5 HE3 LYS 94 - HB3 LYS 24 far 0 55 0 - 5.0-11.0 HG2 MET 21 - HB2 LYS 24 far 0 89 0 - 5.2-8.1 HE3 LYS 90 - HB3 LYS 20 far 0 74 0 - 5.5-9.9 HE2 LYS 20 - HB3 LYS 24 far 0 57 0 - 6.5-11.2 HE3 LYS 20 - HB3 LYS 24 far 0 59 0 - 6.7-11.9 HE2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.0-11.8 HE3 LYS 20 - HB2 LYS 24 far 0 59 0 - 7.8-11.5 HB3 PHE 45 - HB2 LYS 47 far 0 78 0 - 7.8-8.5 HE2 LYS 94 - HB3 LYS 20 far 0 58 0 - 7.8-15.6 HB2 PHE 45 - HB2 LYS 47 far 0 52 0 - 8.0-8.7 HE2 LYS 68 - HB2 LYS 73 far 0 65 0 - 8.2-12.4 HE3 LYS 94 - HB3 LYS 20 far 0 45 0 - 8.3-15.2 HE2 LYS 13 - HB3 LYS 20 far 0 71 0 - 8.6-14.8 HE3 LYS 90 - HB3 LYS 24 far 0 87 0 - 8.8-12.4 HE3 LYS 68 - HB2 LYS 73 far 0 61 0 - 9.0-12.8 HE3 LYS 90 - HB2 LYS 24 far 0 87 0 - 9.3-12.7 HE2 LYS 68 - HB3 LYS 73 far 0 65 0 - 9.6-13.8 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 7 assignments used, quality = 1.00: H MET 74 + HB2 LYS 73 OK 97 100 100 97 2.7-4.1 7213/4.1=41, 4.6=40...(18) * H MET 74 + HB3 LYS 73 OK 96 100 100 96 3.3-4.3 7213/4.1=41, 4.6=40...(15) H ALA 25 + HB2 LYS 24 OK 50 53 100 94 3.1-4.3 4.4=48, 6391/4.0=26...(15) H ALA 25 + HB3 LYS 24 OK 50 53 100 93 3.1-4.3 4.4=48, 6391/4.0=26...(15) H SER 49 - HB2 LYS 47 far 0 78 0 - 5.0-6.6 H ALA 25 - HB3 LYS 20 far 0 43 0 - 7.5-8.5 H VAL 78 - HB2 LYS 73 far 0 99 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3260 from cnoeabs.peaks (7.84, 1.49, 25.00 ppm; 3.98 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.5-4.1 7207=100, 7208/1.8=87...(27) H SER 9 - HG3 LYS 33 far 0 63 0 - 5.0-6.5 H ASN 26 - HG3 LYS 24 far 0 90 0 - 5.6-6.6 H LEU 3 - HG3 LYS 53 far 0 73 0 - 6.1-9.3 H LEU 3 - HG2 LYS 53 far 0 60 0 - 6.8-8.2 H LYS 66 - HG2 LYS 73 far 0 59 0 - 9.3-12.1 H TYR 41 - HG2 LYS 47 far 0 94 0 - 9.6-12.9 H TYR 41 - HG3 LYS 33 far 0 80 0 - 9.9-11.3 Violated in 4 structures by 0.01 A. Peak 3261 from cnoeabs.peaks (4.17, 1.49, 25.00 ppm; 3.24 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 73 + HG2 LYS 73 OK 94 100 95 99 2.4-4.2 3231=58, 3.0/7207=41...(44) HA LYS 13 + HG3 LYS 13 OK 94 94 100 100 2.2-3.3 486=83, 518/1.8=46...(40) HA LYS 47 + HG2 LYS 47 OK 80 81 100 99 2.6-4.0 3.9=57, 2.9/6772=42...(60) HA GLU 23 - HG3 LYS 24 far 0 72 0 - 5.1-7.8 HA MET 1 - HG3 LYS 53 far 0 68 0 - 5.5-9.5 HA GLN 72 - HG2 LYS 73 far 0 95 0 - 5.7-7.3 HA MET 1 - HG2 LYS 53 far 0 55 0 - 6.5-8.3 HA MET 1 - HG2 LYS 47 far 0 97 0 - 9.7-15.6 HA GLU 98 - HG3 LYS 53 far 0 66 0 - 10.0-13.1 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 22 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.2-3.0 2.9=84, 3.0/3231=22...(64) HB3 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.4-3.0 2.9=84, 3.0/3231=22...(63) HB2 LYS 47 + HG2 LYS 47 OK 97 98 100 98 2.3-3.0 3.0=81, 2134/6772=25...(58) HB3 LYS 24 + HG3 LYS 24 OK 88 90 100 98 2.4-3.0 2.9=84, 3.0/1096=26...(66) HB2 LYS 24 + HG3 LYS 24 OK 88 90 100 98 2.4-3.0 2.9=84, 3.0/1096=26...(62) HB3 LYS 47 + HG2 LYS 47 OK 70 71 100 98 2.3-3.0 3.0=81, 3.0/2126=23...(67) QE MET 1 + HG2 LYS 53 OK 28 51 75 73 3.0-4.4 8027/3.0=23, 8023=14...(15) QE MET 1 + HG3 LYS 53 OK 24 63 55 69 1.9-4.7 8027/3.0=23, 8023/1.8=15...(10) HB3 ARG 46 - HG2 LYS 47 far 5 100 5 - 3.6-7.9 HB2 ARG 46 - HG2 LYS 47 far 5 95 5 - 3.6-7.2 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 4.2-8.0 HB3 LYS 20 - HG3 LYS 24 far 0 75 0 - 4.4-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 78 0 - 5.1-6.1 HB VAL 32 - HG3 LYS 33 far 0 81 0 - 5.3-6.0 HB2 MET 1 - HG3 LYS 53 far 0 66 0 - 5.7-9.6 HB2 LYS 94 - HG3 LYS 24 far 0 55 0 - 6.3-9.8 HB2 MET 1 - HG2 LYS 53 far 0 53 0 - 7.2-8.7 HB2 GLU 17 - HG3 LYS 13 far 0 95 0 - 7.5-10.2 HB3 ARG 19 - HG3 LYS 24 far 0 67 0 - 8.1-12.1 HB2 GLU 17 - HG3 LYS 24 far 0 83 0 - 8.9-12.9 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 9.2-13.5 HB3 LYS 20 - HG3 LYS 13 far 0 87 0 - 9.8-13.5 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 23 assignments used, quality = 1.00: HB2 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.2-3.0 2.9=84, 3.0/3231=22...(64) * HB3 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.4-3.0 2.9=84, 3.0/3231=22...(63) HB2 LYS 47 + HG2 LYS 47 OK 96 98 100 98 2.3-3.0 3.0=81, 2134/6772=25...(58) HB3 LYS 24 + HG3 LYS 24 OK 88 89 100 98 2.4-3.0 2.9=84, 3.0/1096=26...(66) HB2 LYS 24 + HG3 LYS 24 OK 88 89 100 98 2.4-3.0 2.9=84, 3.0/1096=26...(62) HB3 LYS 47 + HG2 LYS 47 OK 72 73 100 98 2.3-3.0 3.0=81, 3.0/2126=23...(67) HB2 LYS 33 + HG3 LYS 33 OK 47 47 100 99 2.5-3.0 2.8=92, 3.0/1418=33...(36) QE MET 1 + HG2 LYS 53 OK 27 50 75 72 3.0-4.4 8027/3.0=23, 8023=14...(15) QE MET 1 + HG3 LYS 53 OK 23 62 55 68 1.9-4.7 8027/3.0=23, 8023/1.8=15...(10) HB3 ARG 46 - HG2 LYS 47 far 5 100 5 - 3.6-7.9 HB2 ARG 46 - HG2 LYS 47 far 5 94 5 - 3.6-7.2 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 4.2-8.0 HB3 LYS 20 - HG3 LYS 24 far 0 76 0 - 4.4-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 76 0 - 5.1-6.1 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 5.3-6.0 HB2 MET 1 - HG3 LYS 53 far 0 67 0 - 5.7-9.6 HB2 LYS 94 - HG3 LYS 24 far 0 57 0 - 6.3-9.8 HB2 MET 1 - HG2 LYS 53 far 0 54 0 - 7.2-8.7 HB2 GLU 17 - HG3 LYS 13 far 0 95 0 - 7.5-10.2 HB3 ARG 19 - HG3 LYS 24 far 0 69 0 - 8.1-12.1 HB2 GLU 17 - HG3 LYS 24 far 0 84 0 - 8.9-12.9 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 9.2-13.5 HB3 LYS 20 - HG3 LYS 13 far 0 88 0 - 9.8-13.5 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 21 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 HG3 LYS 12 - HG3 LYS 13 far 0 99 0 - 5.7-7.8 HB2 ARG 79 - HG3 LYS 53 far 0 73 0 - 6.3-9.6 HD3 LYS 94 - HG3 LYS 24 far 0 90 0 - 6.9-12.5 HG LEU 103 - HG2 LYS 53 far 0 53 0 - 7.0-14.4 HG3 LYS 90 - HG3 LYS 24 far 0 85 0 - 7.3-11.0 HB2 ARG 79 - HG2 LYS 53 far 0 60 0 - 7.4-10.4 HD2 LYS 94 - HG3 LYS 24 far 0 70 0 - 7.5-10.9 HD2 LYS 66 - HG2 LYS 73 far 0 100 0 - 7.6-13.5 HG2 ARG 19 - HG3 LYS 24 far 0 85 0 - 7.7-12.8 HG LEU 103 - HG3 LYS 53 far 0 66 0 - 7.9-13.4 HG LEU 27 - HG3 LYS 24 far 0 90 0 - 8.0-9.5 HB2 ARG 30 - HG3 LYS 33 far 0 89 0 - 8.0-9.8 HG3 LYS 12 - HG3 LYS 33 far 0 89 0 - 8.1-10.5 HB3 LEU 29 - HG3 LYS 24 far 0 90 0 - 8.9-12.0 HB2 LEU 103 - HG2 LYS 53 far 0 56 0 - 8.9-14.5 HB2 LEU 103 - HG3 LYS 53 far 0 68 0 - 9.3-14.6 HG LEU 27 - HG3 LYS 53 far 0 73 0 - 9.6-12.5 HB3 GLU 28 - HG3 LYS 53 far 0 42 0 - 10.0-12.5 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 47 assignments used, quality = 1.00: HD3 LYS 73 + HG2 LYS 73 OK 93 100 100 93 2.4-3.0 3.0=54, 3298/1.8=21...(60) * HD2 LYS 73 + HG2 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=54, 3298/1.8=21...(54) HD3 LYS 47 + HG2 LYS 47 OK 90 97 100 93 2.2-3.0 3.0=53, 2195/1.8=10...(67) HD2 LYS 47 + HG2 LYS 47 OK 89 98 100 92 2.4-3.0 3.0=53, 2195/1.8=10...(55) HD2 LYS 13 + HG3 LYS 13 OK 61 70 100 87 2.4-3.0 3.0=54, 1.8/555=9...(41) HD2 LYS 24 + HG3 LYS 24 OK 60 67 100 90 2.4-3.0 3.0=54, 3287/1.8=9...(47) HD3 LYS 24 + HG3 LYS 24 OK 59 65 100 91 2.2-3.0 3.0=54, 4.9/1096=9...(52) HD3 LYS 13 + HG3 LYS 13 OK 58 66 100 87 2.2-3.0 3.0=54, 1.8/555=9...(41) HB3 LYS 53 + HG3 LYS 53 OK 57 64 100 89 2.2-3.0 3.0=53, 2451/3.0=24...(24) HB3 LYS 53 + HG2 LYS 53 OK 47 52 100 90 2.5-3.0 3.0=53, 2451/3.0=24...(26) HD2 LYS 39 - HG2 LYS 73 far 0 98 0 - 3.6-9.8 HD3 LYS 39 - HG2 LYS 73 far 0 84 0 - 4.7-8.8 HG LEU 70 - HG2 LYS 73 far 0 75 0 - 4.8-7.1 HB ILE 52 - HG2 LYS 53 far 0 60 0 - 5.3-5.7 HG3 LYS 20 - HG3 LYS 24 far 0 89 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 70 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 69 0 - 5.9-7.7 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 70 0 - 6.1-9.0 HB3 ARG 79 - HG3 LYS 53 far 0 68 0 - 6.1-10.7 HB ILE 52 - HG2 LYS 47 far 0 100 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 89 0 - 6.4-10.2 HD2 LYS 20 - HG3 LYS 24 far 0 87 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 84 0 - 6.9-8.7 HB3 ARG 79 - HG2 LYS 53 far 0 56 0 - 7.0-10.0 HD3 LYS 66 - HG2 LYS 73 far 0 70 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 58 0 - 7.3-10.9 HB2 LEU 2 - HG3 LYS 53 far 0 44 0 - 7.4-10.5 HB ILE 76 - HG2 LYS 73 far 0 88 0 - 7.4-10.4 HB2 LEU 2 - HG2 LYS 47 far 0 69 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 65 0 - 7.9-12.9 HD3 LYS 12 - HG3 LYS 33 far 0 58 0 - 7.9-12.0 HG2 LYS 68 - HG2 LYS 73 far 0 85 0 - 8.0-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.0-12.9 HB2 LEU 2 - HG2 LYS 53 far 0 35 0 - 8.1-9.3 HD2 LYS 20 - HG3 LYS 13 far 0 98 0 - 8.2-12.0 HB3 LEU 6 - HG3 LYS 33 far 0 79 0 - 8.4-11.2 HB ILE 76 - HG2 LYS 53 far 0 47 0 - 8.4-10.1 HG12 ILE 15 - HG3 LYS 13 far 0 83 0 - 8.8-10.4 HB ILE 76 - HG3 LYS 53 far 0 58 0 - 9.0-11.7 HD2 LYS 68 - HG2 LYS 73 far 0 96 0 - 9.2-12.3 HG3 LYS 20 - HG3 LYS 13 far 0 99 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 82 0 - 9.4-11.8 HB2 LYS 40 - HG3 LYS 33 far 0 76 0 - 9.4-11.8 HB ILE 76 - HG2 LYS 47 far 0 88 0 - 9.5-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 78 0 - 9.7-15.3 HD3 LYS 68 - HG2 LYS 73 far 0 96 0 - 9.7-13.1 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 47 assignments used, quality = 1.00: * HD3 LYS 73 + HG2 LYS 73 OK 93 100 100 93 2.4-3.0 3.0=54, 3298/1.8=21...(60) HD2 LYS 73 + HG2 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=54, 3298/1.8=21...(54) HD3 LYS 47 + HG2 LYS 47 OK 89 96 100 93 2.2-3.0 3.0=53, 2195/1.8=9...(67) HD2 LYS 47 + HG2 LYS 47 OK 88 96 100 92 2.4-3.0 3.0=53, 2195/1.8=9...(55) HD2 LYS 13 + HG3 LYS 13 OK 57 66 100 87 2.4-3.0 3.0=54, 1.8/555=9...(41) HD2 LYS 24 + HG3 LYS 24 OK 57 64 100 90 2.4-3.0 3.0=54, 3287/1.8=9...(47) HD3 LYS 24 + HG3 LYS 24 OK 56 62 100 91 2.2-3.0 3.0=54, 4.9/1096=9...(51) HB3 LYS 53 + HG3 LYS 53 OK 55 62 100 89 2.2-3.0 3.0=53, 2451/3.0=23...(24) HD3 LYS 13 + HG3 LYS 13 OK 54 62 100 87 2.2-3.0 3.0=54, 1.8/555=9...(41) HB3 LYS 53 + HG2 LYS 53 OK 45 50 100 90 2.5-3.0 3.0=53, 2451/3.0=23...(26) HD2 LYS 39 - HG2 LYS 73 far 0 99 0 - 3.6-9.8 HD3 LYS 39 - HG2 LYS 73 far 0 87 0 - 4.7-8.8 HG LEU 70 - HG2 LYS 73 far 0 71 0 - 4.8-7.1 HB ILE 52 - HG2 LYS 53 far 0 59 0 - 5.3-5.7 HG3 LYS 20 - HG3 LYS 24 far 0 88 0 - 5.5-8.6 HD3 LYS 12 - HG3 LYS 13 far 0 66 0 - 5.7-8.9 HG12 ILE 15 - HG3 LYS 33 far 0 66 0 - 5.9-7.7 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 6.0-7.4 HD2 LYS 12 - HG3 LYS 13 far 0 66 0 - 6.1-9.0 HB3 ARG 79 - HG3 LYS 53 far 0 70 0 - 6.1-10.7 HB ILE 52 - HG2 LYS 47 far 0 100 0 - 6.3-10.0 HD3 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.4-10.2 HD2 LYS 20 - HG3 LYS 24 far 0 86 0 - 6.8-9.4 HG2 PRO 86 - HG3 LYS 13 far 0 81 0 - 6.9-8.7 HB3 ARG 79 - HG2 LYS 53 far 0 57 0 - 7.0-10.0 HD3 LYS 66 - HG2 LYS 73 far 0 65 0 - 7.1-13.1 HD2 LYS 12 - HG3 LYS 33 far 0 54 0 - 7.3-10.9 HB2 LEU 2 - HG3 LYS 53 far 0 41 0 - 7.4-10.5 HB ILE 76 - HG2 LYS 73 far 0 91 0 - 7.4-10.4 HB2 LEU 2 - HG2 LYS 47 far 0 65 0 - 7.6-12.5 HD3 LYS 90 - HG3 LYS 24 far 0 62 0 - 7.9-12.9 HD3 LYS 12 - HG3 LYS 33 far 0 54 0 - 7.9-12.0 HG2 LYS 68 - HG2 LYS 73 far 0 88 0 - 8.0-12.0 HD3 LYS 20 - HG3 LYS 13 far 0 98 0 - 8.0-12.9 HB2 LEU 2 - HG2 LYS 53 far 0 32 0 - 8.1-9.3 HD2 LYS 20 - HG3 LYS 13 far 0 97 0 - 8.2-12.0 HB3 LEU 6 - HG3 LYS 33 far 0 81 0 - 8.4-11.2 HB ILE 76 - HG2 LYS 53 far 0 49 0 - 8.4-10.1 HG12 ILE 15 - HG3 LYS 13 far 0 79 0 - 8.8-10.4 HB ILE 76 - HG3 LYS 53 far 0 61 0 - 9.0-11.7 HD2 LYS 68 - HG2 LYS 73 far 0 98 0 - 9.2-12.3 HG3 LYS 20 - HG3 LYS 13 far 0 98 0 - 9.3-14.0 HB3 LYS 40 - HG3 LYS 33 far 0 80 0 - 9.4-11.8 HB2 LYS 40 - HG3 LYS 33 far 0 79 0 - 9.4-11.8 HB ILE 76 - HG2 LYS 47 far 0 91 0 - 9.5-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 74 0 - 9.7-15.3 HD3 LYS 68 - HG2 LYS 73 far 0 97 0 - 9.7-13.1 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 28 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.0-4.0 4.0=73, 3.0/3297=17...(113) HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.9 4.0=73, 3.0/3297=17...(110) HE3 LYS 13 + HG3 LYS 13 OK 99 99 100 100 2.1-4.2 3.8=84, 576/1.8=24...(78) HE2 LYS 13 + HG3 LYS 13 OK 98 98 100 100 2.6-4.1 3.8=84, 576/1.8=24...(78) HE2 LYS 47 + HG2 LYS 47 OK 88 88 100 100 2.0-4.2 3.8=87, 2206/1.8=17...(128) HE3 LYS 47 + HG2 LYS 47 OK 88 88 100 100 2.1-3.8 3.8=87, 6.6/6772=16...(127) HE3 LYS 24 + HG3 LYS 24 OK 87 87 100 100 2.1-4.2 3.7=91, 1143/1.8=18...(106) HE2 LYS 24 + HG3 LYS 24 OK 87 87 100 100 2.2-4.1 3.7=91, 6.2/1096=15...(106) HG2 MET 21 - HG3 LYS 24 far 0 87 0 - 4.6-8.5 HB2 ASN 51 - HG3 LYS 53 far 0 73 0 - 4.8-7.3 HB2 ASN 51 - HG2 LYS 53 far 0 59 0 - 4.9-5.9 HE2 LYS 94 - HG3 LYS 24 far 0 62 0 - 5.2-13.4 HE3 LYS 20 - HG3 LYS 24 far 0 50 0 - 5.4-10.3 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.4-10.6 HE2 LYS 20 - HG3 LYS 24 far 0 48 0 - 5.5-10.9 HB2 PHE 45 - HG2 LYS 47 far 0 73 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 96 0 - 6.1-8.7 HE2 LYS 20 - HG3 LYS 13 far 0 58 0 - 7.3-13.4 HE3 LYS 12 - HG3 LYS 33 far 0 84 0 - 7.5-12.5 HB3 PHE 45 - HG2 LYS 53 far 0 53 0 - 7.6-8.6 HB2 ASN 10 - HG3 LYS 33 far 0 74 0 - 8.1-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 66 0 - 8.1-9.4 HB2 ASN 10 - HG3 LYS 13 far 0 87 0 - 8.2-12.0 HE3 LYS 90 - HG3 LYS 13 far 0 95 0 - 8.4-14.4 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 8.5-13.8 HE3 LYS 20 - HG3 LYS 13 far 0 60 0 - 8.5-13.9 HB2 PHE 45 - HG2 LYS 53 far 0 37 0 - 8.8-10.3 HB2 PHE 45 - HG3 LYS 53 far 0 46 0 - 9.4-10.7 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 31 assignments used, quality = 1.00: * HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.9 4.0=73, 3.0/3297=17...(110) HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.0-4.0 4.0=73, 3.0/3297=17...(113) HE3 LYS 13 + HG3 LYS 13 OK 97 97 100 100 2.1-4.2 3.8=84, 576/1.8=24...(78) HE2 LYS 13 + HG3 LYS 13 OK 96 96 100 100 2.6-4.1 3.8=84, 576/1.8=24...(78) HE3 LYS 24 + HG3 LYS 24 OK 83 83 100 100 2.1-4.2 3.7=91, 1132/1.8=17...(106) HE2 LYS 24 + HG3 LYS 24 OK 83 83 100 100 2.2-4.1 3.7=91, 6.2/1096=15...(106) HE2 LYS 47 + HG2 LYS 47 OK 81 81 100 100 2.0-4.2 3.8=87, 6.6/6772=16...(128) HE3 LYS 47 + HG2 LYS 47 OK 81 81 100 100 2.1-3.8 3.8=87, 6.6/6772=16...(127) HG2 MET 21 - HG3 LYS 24 far 0 89 0 - 4.6-8.5 HB2 ASN 51 - HG3 LYS 53 far 0 73 0 - 4.8-7.3 HB2 ASN 51 - HG2 LYS 53 far 0 60 0 - 4.9-5.9 HE2 LYS 94 - HG3 LYS 24 far 0 70 0 - 5.2-13.4 HE3 LYS 20 - HG3 LYS 24 far 0 59 0 - 5.4-10.3 HE3 LYS 12 - HG3 LYS 13 far 0 92 0 - 5.4-10.6 HE2 LYS 20 - HG3 LYS 24 far 0 57 0 - 5.5-10.9 HB2 PHE 45 - HG2 LYS 47 far 0 63 0 - 5.9-8.6 HB3 PHE 45 - HG2 LYS 47 far 0 91 0 - 6.1-8.7 HE3 LYS 94 - HG3 LYS 24 far 0 55 0 - 6.2-12.5 HE2 LYS 20 - HG3 LYS 13 far 0 68 0 - 7.3-13.4 HE3 LYS 12 - HG3 LYS 33 far 0 79 0 - 7.5-12.5 HB3 PHE 45 - HG2 LYS 53 far 0 49 0 - 7.6-8.6 HB2 ASN 10 - HG3 LYS 33 far 0 80 0 - 8.1-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 61 0 - 8.1-9.4 HB2 ASN 10 - HG3 LYS 13 far 0 93 0 - 8.2-12.0 HE3 LYS 90 - HG3 LYS 13 far 0 98 0 - 8.4-14.4 HE3 LYS 68 - HG2 LYS 73 far 0 61 0 - 8.4-14.2 HE3 LYS 90 - HG3 LYS 24 far 0 87 0 - 8.5-13.8 HE3 LYS 20 - HG3 LYS 13 far 0 70 0 - 8.5-13.9 HE2 LYS 68 - HG2 LYS 73 far 0 65 0 - 8.6-13.6 HB2 PHE 45 - HG2 LYS 53 far 0 31 0 - 8.8-10.3 HB2 PHE 45 - HG3 LYS 53 far 0 39 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (7.75, 1.49, 25.00 ppm; 4.94 A): 3 out of 8 assignments used, quality = 1.00: * H MET 74 + HG2 LYS 73 OK 100 100 100 100 2.6-5.2 7219=91, 7213/7207=82...(15) H ALA 25 + HG3 LYS 24 OK 53 53 100 99 3.9-5.1 3.6/1096=65, 4.6/6386=55...(10) H SER 49 + HG2 LYS 47 OK 38 91 50 83 4.8-7.8 6795/6784=59...(7) H VAL 78 - HG3 LYS 53 far 4 71 5 - 5.8-9.1 H VAL 78 - HG2 LYS 53 far 0 58 0 - 6.4-7.8 H GLU 37 - HG3 LYS 33 far 0 89 0 - 6.7-7.7 H SER 49 - HG2 LYS 53 far 0 49 0 - 8.0-9.7 H SER 49 - HG3 LYS 53 far 0 61 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (7.84, 1.60, 25.00 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-3.5 7208=100, 7207/1.8=78...(32) H ASN 26 - HG2 LYS 24 far 0 96 0 - 5.1-7.0 H SER 9 - HG3 LYS 12 far 0 76 0 - 7.6-10.3 H LYS 66 - HG3 LYS 73 far 0 59 0 - 9.6-11.2 H LEU 3 - HG3 LYS 47 far 0 73 0 - 10.0-15.0 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 7 assignments used, quality = 1.00: * HA LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.9 4.1=79, 3.0/7208=63...(54) HA LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.6-3.8 3.9=90, 2.9/6773=53...(68) HA GLN 72 - HG3 LYS 73 far 0 95 0 - 5.6-6.4 HA LYS 13 - HG3 LYS 12 far 0 94 0 - 6.3-6.7 HA GLU 23 - HG2 LYS 24 far 0 78 0 - 6.8-7.4 HB3 SER 85 - HG3 LYS 90 far 0 59 0 - 6.8-10.3 HA LYS 13 - HG3 LYS 90 far 0 61 0 - 8.7-11.6 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 HB2 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.2-3.0 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-2.8 2.9=100 HB2 LYS 47 + HG3 LYS 47 OK 70 70 100 100 2.3-3.0 3.0=99, 2134/6773=28...(66) HB3 LYS 47 + HG3 LYS 47 OK 45 45 100 100 2.3-3.0 3.0=99, 4.0/6773=23...(70) HB2 GLU 17 + HG3 LYS 90 OK 35 62 85 68 2.2-4.7 12027=19, 1.8/12029=18...(11) HB3 ARG 46 - HG3 LYS 47 poor 18 73 25 - 3.5-6.3 HB3 MET 74 - HG3 LYS 73 far 0 100 0 - 4.1-8.3 HB2 ARG 46 - HG3 LYS 47 far 0 65 0 - 4.2-7.4 HB3 LYS 20 - HG3 LYS 90 far 0 54 0 - 4.7-9.4 HB2 LYS 94 - HG3 LYS 90 far 0 39 0 - 5.2-10.0 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 5.2-7.4 HB2 LYS 94 - HG2 LYS 24 far 0 60 0 - 5.9-8.8 HB3 LYS 24 - HG3 LYS 90 far 0 68 0 - 7.1-11.7 HG3 GLU 88 - HG3 LYS 90 far 0 63 0 - 7.1-9.8 HB2 LYS 24 - HG3 LYS 90 far 0 68 0 - 8.0-12.0 HB3 ARG 19 - HG3 LYS 90 far 0 48 0 - 8.7-11.5 HB3 ARG 19 - HG3 LYS 12 far 0 80 0 - 8.7-11.7 HB2 GLU 17 - HG2 LYS 24 far 0 89 0 - 9.2-11.5 HB3 ARG 19 - HG2 LYS 24 far 0 73 0 - 9.3-11.3 HB3 MET 74 - HG3 LYS 47 far 0 73 0 - 10.0-12.1 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 23 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 HB2 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.2-3.0 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-2.8 2.9=100 HB2 LYS 47 + HG3 LYS 47 OK 69 69 100 100 2.3-3.0 3.0=99, 2134/6773=28...(66) HB3 LYS 47 + HG3 LYS 47 OK 46 46 100 100 2.3-3.0 3.0=99, 4.0/6773=23...(70) HB2 GLU 17 + HG3 LYS 90 OK 36 62 85 68 2.2-4.7 12027=19, 1.8/12029=18...(11) HB3 ARG 46 - HG3 LYS 47 poor 18 73 25 - 3.5-6.3 HB3 MET 74 - HG3 LYS 73 far 0 100 0 - 4.1-8.3 HB2 ARG 46 - HG3 LYS 47 far 0 64 0 - 4.2-7.4 HB3 LYS 20 - HG3 LYS 90 far 0 56 0 - 4.7-9.4 HB2 LYS 94 - HG3 LYS 90 far 0 40 0 - 5.2-10.0 HB3 LYS 20 - HG2 LYS 24 far 0 82 0 - 5.2-7.4 HB2 LYS 94 - HG2 LYS 24 far 0 62 0 - 5.9-8.8 HB3 LYS 24 - HG3 LYS 90 far 0 68 0 - 7.1-11.7 HG3 GLU 88 - HG3 LYS 90 far 0 64 0 - 7.1-9.8 HB2 LYS 24 - HG3 LYS 90 far 0 68 0 - 8.0-12.0 HB3 ARG 19 - HG3 LYS 90 far 0 50 0 - 8.7-11.5 HB3 ARG 19 - HG3 LYS 12 far 0 81 0 - 8.7-11.7 HB2 LYS 33 - HG3 LYS 12 far 0 59 0 - 9.2-12.6 HB2 GLU 17 - HG2 LYS 24 far 0 90 0 - 9.2-11.5 HB3 ARG 19 - HG2 LYS 24 far 0 75 0 - 9.3-11.3 HB3 MET 74 - HG3 LYS 47 far 0 72 0 - 10.0-12.1 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 22 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 - 5.0-8.3 HG2 LYS 20 - HG3 LYS 90 far 0 39 0 - 5.5-10.5 HG3 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.7-7.8 HG2 LYS 20 - HG2 LYS 24 far 0 60 0 - 6.1-9.6 HG LEU 2 - HG3 LYS 47 far 0 58 0 - 6.1-11.6 HG13 ILE 52 - HG3 LYS 47 far 0 42 0 - 6.3-10.7 HG3 LYS 24 - HG3 LYS 90 far 0 62 0 - 7.3-11.0 HB2 LEU 14 - HG3 LYS 12 far 0 76 0 - 7.8-9.6 HB2 LEU 27 - HG2 LYS 24 far 0 60 0 - 7.9-10.2 HB2 LEU 38 - HG3 LYS 73 far 0 63 0 - 8.0-13.9 HG LEU 38 - HG3 LYS 73 far 0 71 0 - 8.1-13.3 HG3 LYS 33 - HG3 LYS 12 far 0 98 0 - 8.1-10.5 HB2 LEU 14 - HG3 LYS 90 far 0 46 0 - 8.1-10.7 HG2 LYS 66 - HG3 LYS 73 far 0 100 0 - 8.5-11.7 HG LEU 57 - HG3 LYS 90 far 0 66 0 - 8.6-9.8 HG3 LYS 66 - HG3 LYS 73 far 0 100 0 - 9.0-11.9 HB ILE 7 - HG3 LYS 12 far 0 76 0 - 9.8-12.7 HB ILE 7 - HG3 LYS 90 far 0 46 0 - 10.0-11.5 HD2 LYS 40 - HG3 LYS 47 far 0 52 0 - 10.0-13.9 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 37 assignments used, quality = 1.00: HD3 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=54, 1.8/3298=21...(62) * HD2 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=54, 1.8/3298=21...(56) HD2 LYS 12 + HG3 LYS 12 OK 66 71 100 93 2.2-3.0 3.0=52, 3.0/464=22...(43) HD3 LYS 12 + HG3 LYS 12 OK 66 71 100 93 2.5-3.0 3.0=52, 3.0/464=22...(43) HD2 LYS 24 + HG2 LYS 24 OK 66 73 100 90 2.3-3.0 3.0=54, 1.8/1121=11...(51) HD3 LYS 24 + HG2 LYS 24 OK 65 71 100 91 2.4-3.0 3.0=54, 1.8/1121=11...(55) HD2 LYS 47 + HG3 LYS 47 OK 63 68 100 92 2.4-3.0 3.0=53, 1.8/3298=8...(64) HD3 LYS 47 + HG3 LYS 47 OK 63 68 100 93 2.2-3.0 3.0=53, 1.8/3298=9...(75) HD3 LYS 90 + HG3 LYS 90 OK 40 47 100 86 2.3-2.9 2.9=54, ~4005=12...(22) HD2 LYS 39 - HG3 LYS 73 far 0 98 0 - 4.0-10.5 HB3 ARG 91 - HG3 LYS 90 far 0 62 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 75 0 - 4.8-8.4 HD3 LYS 39 - HG3 LYS 73 far 0 84 0 - 4.8-9.6 HG3 LYS 20 - HG2 LYS 24 far 0 94 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 67 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 52 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 83 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 71 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 67 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 67 0 - 5.6-9.4 HB ILE 52 - HG3 LYS 47 far 0 73 0 - 6.0-10.0 HD2 LYS 20 - HG3 LYS 90 far 0 66 0 - 6.1-10.5 HB ILE 76 - HG3 LYS 73 far 0 88 0 - 6.6-10.3 HD3 LYS 20 - HG2 LYS 24 far 0 94 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 70 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 93 0 - 7.2-9.8 HB2 LEU 2 - HG3 LYS 47 far 0 44 0 - 7.7-13.5 HG2 LYS 68 - HG3 LYS 73 far 0 85 0 - 8.1-11.0 HD3 LYS 90 - HG2 LYS 24 far 0 71 0 - 8.2-11.4 HD2 LYS 68 - HG3 LYS 73 far 0 96 0 - 8.4-11.6 HD3 LYS 24 - HG3 LYS 90 far 0 47 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 42 0 - 8.8-13.3 HD3 LYS 68 - HG3 LYS 73 far 0 96 0 - 8.8-11.7 HD2 LYS 24 - HG3 LYS 90 far 0 48 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 98 0 - 9.5-14.1 HB ILE 76 - HG3 LYS 47 far 0 58 0 - 9.5-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 39 0 - 10.0-13.8 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 37 assignments used, quality = 1.00: * HD3 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=54, 1.8/3298=21...(62) HD2 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=54, 1.8/3298=21...(56) HD2 LYS 24 + HG2 LYS 24 OK 62 70 100 90 2.3-3.0 3.0=54, 1.8/1121=11...(51) HD2 LYS 12 + HG3 LYS 12 OK 62 67 100 93 2.2-3.0 3.0=52, 3.0/464=22...(43) HD3 LYS 12 + HG3 LYS 12 OK 62 67 100 93 2.5-3.0 3.0=52, 3.0/464=22...(43) HD2 LYS 47 + HG3 LYS 47 OK 62 67 100 92 2.4-3.0 3.0=53, 1.8/3298=8...(64) HD3 LYS 24 + HG2 LYS 24 OK 62 68 100 91 2.4-3.0 3.0=54, 1.8/1121=11...(55) HD3 LYS 47 + HG3 LYS 47 OK 61 66 100 93 2.2-3.0 3.0=53, 1.8/3298=9...(74) HD3 LYS 90 + HG3 LYS 90 OK 38 44 100 85 2.3-2.9 2.9=54, ~4005=12...(22) HD2 LYS 39 - HG3 LYS 73 far 0 99 0 - 4.0-10.5 HB3 ARG 91 - HG3 LYS 90 far 0 61 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 71 0 - 4.8-8.4 HD3 LYS 39 - HG3 LYS 73 far 0 87 0 - 4.8-9.6 HG3 LYS 20 - HG2 LYS 24 far 0 94 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 50 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 80 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 67 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 63 0 - 5.6-9.4 HB ILE 52 - HG3 LYS 47 far 0 73 0 - 6.0-10.0 HD2 LYS 20 - HG3 LYS 90 far 0 65 0 - 6.1-10.5 HB ILE 76 - HG3 LYS 73 far 0 91 0 - 6.6-10.3 HD3 LYS 20 - HG2 LYS 24 far 0 94 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 65 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 92 0 - 7.2-9.8 HB2 LEU 2 - HG3 LYS 47 far 0 41 0 - 7.7-13.5 HG2 LYS 68 - HG3 LYS 73 far 0 88 0 - 8.1-11.0 HD3 LYS 90 - HG2 LYS 24 far 0 68 0 - 8.2-11.4 HD2 LYS 68 - HG3 LYS 73 far 0 98 0 - 8.4-11.6 HD3 LYS 24 - HG3 LYS 90 far 0 44 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 39 0 - 8.8-13.3 HD3 LYS 68 - HG3 LYS 73 far 0 97 0 - 8.8-11.7 HD2 LYS 24 - HG3 LYS 90 far 0 46 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 98 0 - 9.5-14.1 HB ILE 76 - HG3 LYS 47 far 0 61 0 - 9.5-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 36 0 - 10.0-13.8 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 25 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-4.0 4.0=75, 3.0/3298=28...(117) HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-4.2 4.0=75, 3.0/3298=28...(116) HE3 LYS 12 + HG3 LYS 12 OK 96 96 100 100 2.4-4.2 4.0=77, 1.8/464=72...(52) HE3 LYS 24 + HG2 LYS 24 OK 92 93 100 100 2.4-3.7 3.7=93, 1.8/1143=15...(114) HE2 LYS 24 + HG2 LYS 24 OK 92 93 100 100 2.0-3.9 3.7=93, 1.8/1143=18...(114) HE3 LYS 90 + HG3 LYS 90 OK 62 62 100 100 2.1-3.7 3.8=89, 4005/1.8=68...(28) HE3 LYS 47 + HG3 LYS 47 OK 58 58 100 100 2.0-4.2 3.8=90, 1.8/2217=17...(138) HE2 LYS 47 + HG3 LYS 47 OK 58 58 100 100 2.4-4.2 3.8=90, 563/3.0=14...(138) HG2 MET 21 + HG3 LYS 90 OK 34 65 55 94 2.4-6.6 3920/4.0=37...(21) HG2 MET 21 - HG2 LYS 24 far 0 93 0 - 4.6-7.5 HE2 LYS 94 - HG2 LYS 24 far 0 68 0 - 4.6-12.1 HB3 PHE 45 - HG3 LYS 47 far 0 66 0 - 5.1-8.6 HE2 LYS 20 - HG2 LYS 24 far 0 53 0 - 5.4-11.8 HB2 PHE 45 - HG3 LYS 47 far 0 46 0 - 5.5-8.1 HE2 LYS 20 - HG3 LYS 90 far 0 34 0 - 5.6-11.8 HE3 LYS 20 - HG3 LYS 90 far 0 35 0 - 5.6-10.7 HE3 LYS 20 - HG2 LYS 24 far 0 55 0 - 5.9-11.4 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 99 0 - 6.1-10.1 HB2 ASN 10 - HG3 LYS 12 far 0 87 0 - 6.6-9.5 HE2 LYS 94 - HG3 LYS 90 far 0 44 0 - 6.8-10.7 HE3 LYS 90 - HG2 LYS 24 far 0 90 0 - 8.3-12.2 HE2 LYS 13 - HG3 LYS 90 far 0 66 0 - 9.0-15.4 HE2 LYS 24 - HG3 LYS 90 far 0 65 0 - 9.4-13.3 HE3 LYS 24 - HG3 LYS 90 far 0 65 0 - 9.8-13.3 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 29 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-4.2 4.0=75, 3.0/3298=28...(116) HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-4.0 4.0=75, 3.0/3298=28...(117) HE3 LYS 12 + HG3 LYS 12 OK 92 92 100 100 2.4-4.2 4.0=77, 1.8/464=72...(52) HE3 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.4-3.7 3.7=93, 1.8/1143=15...(114) HE2 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.0-3.9 3.7=93, 1.8/1143=18...(114) HE3 LYS 90 + HG3 LYS 90 OK 66 66 100 100 2.1-3.7 3.8=89, 4005/1.8=71...(28) HE3 LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.0-4.2 3.8=90, 1.8/2217=17...(138) HE2 LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.4-4.2 3.8=90, 6.6/6773=13...(138) HG2 MET 21 + HG3 LYS 90 OK 35 68 55 95 2.4-6.6 3920/4.0=39...(21) HG2 MET 21 - HG2 LYS 24 far 0 95 0 - 4.6-7.5 HE2 LYS 94 - HG2 LYS 24 far 0 76 0 - 4.6-12.1 HB3 PHE 45 - HG3 LYS 47 far 0 61 0 - 5.1-8.6 HE3 LYS 94 - HG2 LYS 24 far 0 60 0 - 5.2-11.5 HE2 LYS 20 - HG2 LYS 24 far 0 62 0 - 5.4-11.8 HB2 PHE 45 - HG3 LYS 47 far 0 39 0 - 5.5-8.1 HE2 LYS 20 - HG3 LYS 90 far 0 40 0 - 5.6-11.8 HE3 LYS 20 - HG3 LYS 90 far 0 42 0 - 5.6-10.7 HE3 LYS 20 - HG2 LYS 24 far 0 64 0 - 5.9-11.4 HE2 LYS 13 - HG3 LYS 12 far 0 96 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.1-10.1 HE3 LYS 94 - HG3 LYS 90 far 0 39 0 - 6.5-10.8 HB2 ASN 10 - HG3 LYS 12 far 0 93 0 - 6.6-9.5 HE2 LYS 94 - HG3 LYS 90 far 0 51 0 - 6.8-10.7 HE2 LYS 68 - HG3 LYS 73 far 0 65 0 - 7.0-12.0 HE3 LYS 68 - HG3 LYS 73 far 0 61 0 - 7.6-12.6 HE3 LYS 90 - HG2 LYS 24 far 0 93 0 - 8.3-12.2 HE2 LYS 13 - HG3 LYS 90 far 0 63 0 - 9.0-15.4 HE2 LYS 24 - HG3 LYS 90 far 0 62 0 - 9.4-13.3 HE3 LYS 24 - HG3 LYS 90 far 0 62 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3281 from cnoeabs.peaks (7.75, 1.60, 25.00 ppm; 5.10 A): 3 out of 5 assignments used, quality = 1.00: * H MET 74 + HG3 LYS 73 OK 100 100 100 100 2.3-5.1 7220=100, 7213/7208=90...(16) H ALA 25 + HG2 LYS 24 OK 57 58 100 98 3.7-5.5 4.6/6385=63, 3.6/1053=50...(10) H SER 49 + HG3 LYS 47 OK 28 61 65 71 4.3-7.9 6795/6785=50...(4) H ALA 25 - HG3 LYS 90 far 0 38 0 - 9.1-12.2 H VAL 78 - HG3 LYS 73 far 0 99 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 3282 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 4.23 A): 2 out of 11 assignments used, quality = 1.00: * H LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.1-4.9 7208/3.0=75, 7207/3.0=68...(37) H LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.4-5.1 7208/3.0=75, 7207/3.0=68...(37) H ASN 26 - HD2 LYS 24 far 0 63 0 - 5.2-7.6 H ASN 26 - HD3 LYS 24 far 0 60 0 - 5.6-7.1 H LYS 66 - HD3 LYS 73 far 0 59 0 - 8.4-12.9 H LYS 66 - HD2 LYS 73 far 0 59 0 - 8.9-13.1 H LEU 3 - HD3 LYS 47 far 0 53 0 - 9.6-16.2 H TYR 41 - HD3 LYS 47 far 0 45 0 - 9.6-13.3 H TYR 41 - HD2 LYS 47 far 0 47 0 - 9.7-13.7 H LEU 3 - HD2 LYS 47 far 0 54 0 - 9.7-15.4 H ASN 26 - HD3 LYS 20 far 0 76 0 - 9.9-12.9 Violated in 1 structures by 0.01 A. Peak 3283 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 3.87 A): 3 out of 13 assignments used, quality = 1.00: * HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.0-4.8 3233=45, 3232/3.0=43...(74) HA LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.1-5.5 3234=50, 3232/3.0=43...(78) HA LYS 47 + HD2 LYS 47 OK 24 37 65 100 2.1-5.5 5.1=44, 2126/3.0=33...(102) HA LYS 47 - HD3 LYS 47 poor 20 36 55 - 3.6-5.5 HA GLU 23 - HD2 LYS 24 poor 9 47 20 - 4.6-8.7 HA GLU 23 - HD3 LYS 24 far 0 45 0 - 4.8-8.1 HA LYS 13 - HD3 LYS 20 far 0 67 0 - 6.3-10.0 HA LYS 13 - HD2 LYS 20 far 0 65 0 - 6.4-9.1 HA GLN 72 - HD2 LYS 73 far 0 95 0 - 6.7-8.3 HA GLN 72 - HD3 LYS 73 far 0 95 0 - 6.7-8.4 HA GLU 23 - HD3 LYS 20 far 0 58 0 - 7.3-10.4 HB3 SER 85 - HB3 ARG 91 far 0 44 0 - 7.4-10.4 HA GLU 23 - HD2 LYS 20 far 0 56 0 - 7.6-10.4 Violated in 5 structures by 0.01 A. Peak 3284 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 14 out of 38 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-3.8 3.6=61, 3.0/3234=20...(122) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.5 3.6=61, 3.0/3294=17...(122) * HB2 LYS 73 + HD2 LYS 73 OK 90 100 90 100 2.3-4.2 3.6=61, 3.0/3294=17...(126) HB2 LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.8-4.2 3.6=61, 3.0/3234=20...(126) HB3 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.5-3.9 3.6=63, ~1096=13...(109) HB2 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.5-3.8 3.6=63, ~1096=13...(107) HB3 LYS 20 + HD3 LYS 20 OK 59 61 100 98 2.0-3.7 3.5=64, ~848=12...(64) HB3 LYS 20 + HD2 LYS 20 OK 51 58 90 98 2.0-4.2 3.5=64, ~848=12...(64) HB2 LYS 47 + HD2 LYS 47 OK 51 51 100 99 2.2-3.8 3.9=46, 2134/6774=15...(100) HB2 LYS 47 + HD3 LYS 47 OK 47 50 95 99 3.1-4.0 3.9=46, 2134/6774=14...(103) HB2 LYS 24 + HD3 LYS 24 OK 44 59 75 99 2.4-4.2 3.6=63, ~1096=13...(109) HB3 LYS 24 + HD3 LYS 24 OK 38 59 65 99 2.1-4.2 3.6=63, ~1096=13...(109) HB3 LYS 47 + HD2 LYS 47 OK 32 32 100 99 2.0-3.7 3.9=46, 4.0/6774=13...(111) HB3 LYS 47 + HD3 LYS 47 OK 23 31 75 99 2.3-4.2 3.9=46, 4.0/6774=12...(113) HB3 ARG 19 - HD2 LYS 20 poor 13 52 25 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 8 54 15 - 2.9-8.1 HB3 LYS 20 - HD3 LYS 24 far 0 47 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 68 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 66 0 - 4.3-8.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 49 0 - 5.0-8.4 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 54 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 46 0 - 5.2-8.1 HB2 LYS 94 - HB3 ARG 91 far 0 29 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 48 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.5-8.4 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.5-9.5 HB2 LYS 24 - HD3 LYS 20 far 0 75 0 - 6.5-11.0 HB3 LYS 24 - HD3 LYS 20 far 0 75 0 - 7.1-11.4 HB2 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 46 0 - 7.5-10.8 HB3 ARG 19 - HD2 LYS 24 far 0 44 0 - 7.7-12.8 HB2 LYS 94 - HD3 LYS 24 far 0 33 0 - 7.7-10.1 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 35 0 - 7.8-10.2 HB2 GLU 17 - HD3 LYS 24 far 0 53 0 - 8.9-12.8 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 38 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-3.8 3.6=61, 3.0/3234=20...(122) * HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.5 3.6=61, 3.0/3294=17...(122) HB2 LYS 73 + HD2 LYS 73 OK 90 100 90 100 2.3-4.2 3.6=61, 3.0/3294=17...(126) HB2 LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.8-4.2 3.6=61, 3.0/3234=20...(126) HB3 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.5-3.9 3.6=63, ~1096=13...(109) HB2 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.5-3.8 3.6=63, ~1096=13...(107) HB3 LYS 20 + HD3 LYS 20 OK 60 62 100 98 2.0-3.7 3.5=64, 871/6312=12...(64) HB3 LYS 20 + HD2 LYS 20 OK 52 59 90 98 2.0-4.2 3.5=64, ~848=12...(64) HB2 LYS 47 + HD2 LYS 47 OK 50 51 100 99 2.2-3.8 3.9=46, 2134/6774=15...(100) HB2 LYS 47 + HD3 LYS 47 OK 47 50 95 99 3.1-4.0 3.9=46, 2134/6774=14...(103) HB2 LYS 24 + HD3 LYS 24 OK 44 59 75 99 2.4-4.2 3.6=63, ~1096=13...(109) HB3 LYS 24 + HD3 LYS 24 OK 38 59 65 99 2.1-4.2 3.6=63, ~1096=13...(109) HB3 LYS 47 + HD2 LYS 47 OK 33 33 100 99 2.0-3.7 3.9=46, 4.0/6774=13...(111) HB3 LYS 47 + HD3 LYS 47 OK 24 32 75 99 2.3-4.2 3.9=46, 4.0/6774=12...(113) HB3 ARG 19 - HD2 LYS 20 poor 13 53 25 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 8 55 15 - 2.9-8.1 HB3 LYS 20 - HD3 LYS 24 far 0 48 0 - 4.1-9.3 HB2 GLU 17 - HD3 LYS 20 far 0 69 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 66 0 - 4.3-8.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.6-9.0 HB3 LYS 20 - HD2 LYS 24 far 0 50 0 - 5.0-8.4 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 54 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 45 0 - 5.2-8.1 HB2 LYS 94 - HB3 ARG 91 far 0 30 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 48 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.5-8.4 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.5-9.5 HB2 LYS 24 - HD3 LYS 20 far 0 75 0 - 6.5-11.0 HB3 LYS 24 - HD3 LYS 20 far 0 75 0 - 7.1-11.4 HB2 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 47 0 - 7.5-10.8 HB3 ARG 19 - HD2 LYS 24 far 0 45 0 - 7.7-12.8 HB2 LYS 94 - HD3 LYS 24 far 0 35 0 - 7.7-10.1 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 7.8-13.1 HB2 LYS 94 - HD2 LYS 24 far 0 36 0 - 7.8-10.2 HB2 GLU 17 - HD3 LYS 24 far 0 54 0 - 8.9-12.8 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 34 assignments used, quality = 1.00: * HG2 LYS 73 + HD2 LYS 73 OK 95 100 100 95 2.2-3.0 3.0=65, 1.8/3278=10...(57) HG2 LYS 73 + HD3 LYS 73 OK 95 100 100 95 2.4-3.0 3.0=65, 1.8/3278=10...(57) HG3 LYS 24 + HD2 LYS 24 OK 52 56 100 93 2.4-3.0 3.0=65, 1096/4.9=12...(46) HG2 LYS 47 + HD2 LYS 47 OK 52 54 100 96 2.4-3.0 3.0=64, 1.8/2174=12...(67) 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 51 53 100 96 2.2-3.0 3.0=64, 1.8/2174=12...(68) HG3 LYS 24 + HD3 LYS 24 OK 50 53 100 93 2.2-3.0 3.0=65, 1096/4.9=12...(49) HG2 LYS 20 + HD3 LYS 20 OK 40 44 100 91 2.3-3.0 2.8=72, 3.0/2152=6...(56) HG2 LYS 20 + HD2 LYS 20 OK 38 42 100 91 2.2-2.9 2.8=72, 6309/5.9=5...(54) HG2 LYS 20 - HD3 LYS 24 far 0 33 0 - 5.3-9.6 HG LEU 2 - HD2 LYS 47 far 0 42 0 - 5.7-12.1 HG2 LYS 20 - HD2 LYS 24 far 0 35 0 - 5.8-10.1 HG LEU 2 - HD3 LYS 47 far 0 41 0 - 6.2-12.9 HG3 LYS 24 - HD3 LYS 20 far 0 68 0 - 6.4-10.2 HG13 ILE 52 - HD2 LYS 47 far 0 30 0 - 6.8-11.5 HG3 LYS 24 - HD2 LYS 20 far 0 66 0 - 6.8-9.4 HG2 LYS 66 - HD2 LYS 73 far 0 100 0 - 7.4-12.7 HG13 ILE 52 - HD3 LYS 47 far 0 29 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 100 0 - 7.6-12.9 HB2 LEU 38 - HD3 LYS 73 far 0 63 0 - 7.7-14.9 HG LEU 57 - HB3 ARG 91 far 0 50 0 - 7.7-9.7 HG LEU 38 - HD3 LYS 73 far 0 71 0 - 7.8-15.0 HG3 LYS 66 - HD3 LYS 73 far 0 100 0 - 7.9-13.0 HG LEU 38 - HD2 LYS 73 far 0 71 0 - 8.0-15.4 HG3 LYS 13 - HD3 LYS 20 far 0 75 0 - 8.0-12.9 HG3 LYS 13 - HD2 LYS 20 far 0 72 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 100 0 - 8.3-12.9 HB2 LEU 27 - HD2 LYS 24 far 0 35 0 - 8.6-11.0 HB2 LEU 38 - HD2 LYS 73 far 0 63 0 - 8.8-14.7 HB2 LEU 27 - HD3 LYS 24 far 0 33 0 - 9.1-10.4 HB2 LEU 14 - HD3 LYS 20 far 0 51 0 - 9.4-13.1 HB2 LEU 14 - HD2 LYS 20 far 0 49 0 - 9.6-12.6 HB ILE 7 - HD2 LYS 20 far 0 49 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 26 0 - 10.0-17.2 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 34 assignments used, quality = 1.00: * HG3 LYS 73 + HD2 LYS 73 OK 90 100 100 90 2.2-3.0 3.0=54, 7208/7210=10...(57) HG3 LYS 73 + HD3 LYS 73 OK 89 100 100 89 2.2-3.0 3.0=54, 3278/1.8=9...(57) HG2 LYS 24 + HD2 LYS 24 OK 52 59 100 88 2.3-3.0 3.0=54, 1091/1.8=9...(47) HG2 LYS 24 + HD3 LYS 24 OK 50 56 100 89 2.4-3.0 3.0=54, 1091/1.8=9...(51) HG3 LYS 47 + HD2 LYS 47 OK 37 41 100 91 2.4-3.0 3.0=53, 2175/1.8=9...(57) HG3 LYS 47 + HD3 LYS 47 OK 37 40 100 91 2.2-3.0 3.0=53, 2175/1.8=9...(64) HG2 ARG 19 - HD2 LYS 20 far 3 68 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 71 0 - 3.9-9.2 HD2 LYS 94 - HB3 ARG 91 far 0 38 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 48 0 - 4.5-7.6 HG3 LYS 90 - HD3 LYS 20 far 0 70 0 - 5.5-10.4 HG3 LYS 90 - HD2 LYS 20 far 0 67 0 - 6.1-10.5 HD2 LYS 66 - HD3 LYS 73 far 0 100 0 - 6.2-13.3 HD2 LYS 66 - HD2 LYS 73 far 0 100 0 - 6.6-14.4 HG2 LYS 24 - HD3 LYS 20 far 0 71 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 69 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 7.2-11.0 HB3 LEU 29 - HD3 LYS 20 far 0 76 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 24 far 0 56 0 - 8.0-13.8 HD3 LYS 94 - HD2 LYS 24 far 0 63 0 - 8.1-12.1 HG2 ARG 19 - HD2 LYS 24 far 0 58 0 - 8.4-13.7 HG3 LYS 90 - HD3 LYS 24 far 0 55 0 - 8.5-12.3 HB3 GLU 28 - HD2 LYS 47 far 0 30 0 - 8.5-16.0 HG LEU 27 - HD2 LYS 24 far 0 63 0 - 8.6-10.7 HD2 LYS 94 - HD2 LYS 24 far 0 46 0 - 8.7-12.6 HB3 GLU 28 - HD3 LYS 47 far 0 29 0 - 8.7-16.3 HD2 LYS 94 - HD3 LYS 24 far 0 44 0 - 8.9-12.4 HD3 LYS 94 - HD3 LYS 24 far 0 60 0 - 8.9-11.9 HG LEU 27 - HD3 LYS 24 far 0 60 0 - 9.0-10.5 HG3 LYS 90 - HD2 LYS 24 far 0 58 0 - 9.2-12.6 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-14.1 HB3 LEU 29 - HD2 LYS 24 far 0 63 0 - 9.6-13.1 HB3 LEU 29 - HD3 LYS 24 far 0 60 0 - 9.7-12.8 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 47 assignments used, quality = 1.00: * HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 42 42 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 42 42 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 41 41 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 41 41 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 39 39 100 100 2.3-3.0 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 HE3 LYS 90 - HB3 ARG 91 far 2 47 5 - 3.7-9.0 HE2 LYS 94 - HB3 ARG 91 far 0 33 0 - 4.4-9.6 HE3 LYS 20 - HD3 LYS 24 far 0 30 0 - 4.5-11.5 HE3 LYS 90 - HD3 LYS 20 far 0 69 0 - 4.5-12.2 HE2 LYS 20 - HD3 LYS 24 far 0 29 0 - 4.7-11.5 HE3 LYS 24 - HD3 LYS 20 far 0 72 0 - 5.0-11.4 HE2 LYS 20 - HD2 LYS 24 far 0 30 0 - 5.8-11.8 HG2 MET 21 - HB3 ARG 91 far 0 49 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 72 0 - 6.0-9.2 HE3 LYS 24 - HD2 LYS 20 far 0 69 0 - 6.2-12.0 HE3 LYS 90 - HD2 LYS 20 far 0 66 0 - 6.2-12.3 HE3 LYS 20 - HD2 LYS 24 far 0 31 0 - 6.3-11.2 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 72 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 48 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 57 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 32 0 - 6.4-9.8 HE2 LYS 24 - HD2 LYS 20 far 0 69 0 - 6.5-11.7 HG2 MET 21 - HD2 LYS 20 far 0 69 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 20 far 0 73 0 - 6.6-14.0 HE2 LYS 13 - HD2 LYS 20 far 0 71 0 - 6.7-13.3 HE2 LYS 94 - HD2 LYS 24 far 0 40 0 - 6.8-12.7 HB2 PHE 45 - HD2 LYS 47 far 0 33 0 - 6.9-9.4 HG2 MET 21 - HD2 LYS 24 far 0 59 0 - 6.9-9.2 HE2 LYS 94 - HD3 LYS 24 far 0 38 0 - 7.2-12.9 HE3 LYS 13 - HD3 LYS 20 far 0 74 0 - 7.6-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 72 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 70 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 67 0 - 8.2-15.0 HE3 LYS 90 - HD3 LYS 24 far 0 54 0 - 8.6-13.4 HE3 LYS 90 - HD2 LYS 24 far 0 57 0 - 9.7-13.7 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 54 assignments used, quality = 1.00: * HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 47 47 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 90 - HB3 ARG 91 far 2 50 5 - 3.7-9.0 HE2 LYS 94 - HB3 ARG 91 far 0 38 0 - 4.4-9.6 HE3 LYS 20 - HD3 LYS 24 far 0 36 0 - 4.5-11.5 HE3 LYS 90 - HD3 LYS 20 far 0 73 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 29 0 - 4.6-8.8 HE2 LYS 20 - HD3 LYS 24 far 0 35 0 - 4.7-11.5 HE3 LYS 24 - HD3 LYS 20 far 0 68 0 - 5.0-11.4 HE2 LYS 20 - HD2 LYS 24 far 0 36 0 - 5.8-11.8 HG2 MET 21 - HB3 ARG 91 far 0 51 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 75 0 - 6.0-9.2 HE3 LYS 24 - HD2 LYS 20 far 0 66 0 - 6.2-12.0 HE3 LYS 90 - HD2 LYS 20 far 0 70 0 - 6.2-12.3 HE3 LYS 20 - HD2 LYS 24 far 0 38 0 - 6.3-11.2 HB3 PHE 45 - HD3 LYS 47 far 0 43 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 68 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 44 0 - 6.3-9.6 HG2 MET 21 - HD3 LYS 24 far 0 59 0 - 6.4-9.5 HB2 PHE 45 - HD3 LYS 47 far 0 27 0 - 6.4-9.8 HE2 LYS 24 - HD2 LYS 20 far 0 66 0 - 6.5-11.7 HG2 MET 21 - HD2 LYS 20 far 0 72 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 20 far 0 70 0 - 6.6-14.0 HE2 LYS 13 - HD2 LYS 20 far 0 67 0 - 6.7-13.3 HE2 LYS 94 - HD2 LYS 24 far 0 46 0 - 6.8-12.7 HB2 PHE 45 - HD2 LYS 47 far 0 28 0 - 6.9-9.4 HG2 MET 21 - HD2 LYS 24 far 0 62 0 - 6.9-9.2 HE3 LYS 94 - HD2 LYS 24 far 0 35 0 - 7.1-13.1 HE3 LYS 94 - HD3 LYS 24 far 0 33 0 - 7.1-13.0 HE2 LYS 94 - HD3 LYS 24 far 0 44 0 - 7.2-12.9 HE3 LYS 13 - HD3 LYS 20 far 0 71 0 - 7.6-13.3 HE2 LYS 68 - HD3 LYS 73 far 0 65 0 - 7.7-14.2 HE3 LYS 13 - HD2 LYS 20 far 0 69 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 63 0 - 8.2-15.0 HE2 LYS 68 - HD2 LYS 73 far 0 65 0 - 8.6-14.0 HE3 LYS 90 - HD3 LYS 24 far 0 57 0 - 8.6-13.4 HE3 LYS 68 - HD3 LYS 73 far 0 61 0 - 9.4-14.9 HE3 LYS 90 - HD2 LYS 24 far 0 60 0 - 9.7-13.7 HE3 LYS 68 - HD2 LYS 73 far 0 61 0 - 9.9-14.4 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 9 assignments used, quality = 0.99: * H MET 74 + HD2 LYS 73 OK 95 100 95 100 3.8-6.2 7220/3.0=74, 7219/3.0=73...(11) H MET 74 + HD3 LYS 73 OK 70 100 70 100 4.0-6.6 7220/3.0=74, 7219/3.0=73...(11) H ALA 25 + HD3 LYS 24 OK 30 32 100 93 4.9-6.0 6402/3.0=42, 6391/6.3=33...(9) H ALA 25 + HD2 LYS 24 OK 30 34 95 92 4.5-6.3 6402/3.0=42, 6391/6.3=33...(9) H SER 49 - HD2 LYS 47 far 7 44 15 - 5.9-9.8 H SER 49 - HD3 LYS 47 far 0 43 0 - 6.7-8.9 H ALA 25 - HD2 LYS 20 far 0 40 0 - 8.9-11.6 H ALA 25 - HD3 LYS 20 far 0 42 0 - 8.9-11.5 H GLU 37 - HD3 LYS 73 far 0 100 0 - 10.0-16.4 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 9 assignments used, quality = 1.00: * H LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.4-5.1 7208/3.0=75, 7207/3.0=68...(37) H LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.1-4.9 7208/3.0=75, 7207/3.0=68...(37) H LYS 66 - HD3 LYS 73 far 0 59 0 - 8.4-12.9 H LYS 66 - HD2 LYS 73 far 0 59 0 - 8.9-13.1 H LEU 3 - HD3 LYS 47 far 0 50 0 - 9.6-16.2 H TYR 41 - HD3 LYS 47 far 0 43 0 - 9.6-13.3 H TYR 41 - HD2 LYS 47 far 0 44 0 - 9.7-13.7 H LEU 3 - HD2 LYS 47 far 0 51 0 - 9.7-15.4 H ASN 26 - HD3 LYS 20 far 0 74 0 - 9.9-12.9 Violated in 1 structures by 0.01 A. Peak 3294 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 3.87 A): 3 out of 11 assignments used, quality = 1.00: HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.0-4.8 3233=45, 3232/3.0=43...(74) * HA LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.1-5.5 3234=50, 3232/3.0=43...(78) HA LYS 47 + HD2 LYS 47 OK 23 35 65 100 2.1-5.5 5.1=44, 2126/3.0=33...(102) HA LYS 47 - HD3 LYS 47 poor 19 34 55 - 3.6-5.5 HA LYS 13 - HD3 LYS 20 far 0 66 0 - 6.3-10.0 HA LYS 13 - HD2 LYS 20 far 0 62 0 - 6.4-9.1 HA GLN 72 - HD2 LYS 73 far 0 95 0 - 6.7-8.3 HA GLN 72 - HD3 LYS 73 far 0 95 0 - 6.7-8.4 HA GLU 23 - HD3 LYS 20 far 0 57 0 - 7.3-10.4 HB3 SER 85 - HB3 ARG 91 far 0 42 0 - 7.4-10.4 HA GLU 23 - HD2 LYS 20 far 0 54 0 - 7.6-10.4 Violated in 5 structures by 0.01 A. Peak 3295 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 10 out of 27 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-3.8 3.6=61, 3.0/3234=20...(122) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.5 3.6=61, 3.0/3294=18...(122) HB2 LYS 73 + HD2 LYS 73 OK 90 100 90 100 2.3-4.2 3.6=61, 3.0/3294=18...(126) * HB2 LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.8-4.2 3.6=61, 3.0/3234=20...(126) HB3 LYS 20 + HD3 LYS 20 OK 58 59 100 98 2.0-3.7 3.5=64, ~848=12...(64) HB3 LYS 20 + HD2 LYS 20 OK 49 56 90 98 2.0-4.2 3.5=64, ~848=12...(64) HB2 LYS 47 + HD2 LYS 47 OK 48 49 100 99 2.2-3.8 3.9=46, 2134/6774=14...(100) HB2 LYS 47 + HD3 LYS 47 OK 45 48 95 99 3.1-4.0 3.9=46, 2134/6774=14...(103) HB3 LYS 47 + HD2 LYS 47 OK 30 30 100 99 2.0-3.7 3.9=46, 4.0/6774=13...(111) HB3 LYS 47 + HD3 LYS 47 OK 22 29 75 99 2.3-4.2 3.9=46, 4.0/6774=12...(113) HB3 ARG 19 - HD2 LYS 20 poor 12 50 25 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 8 53 15 - 2.9-8.1 HB2 GLU 17 - HD3 LYS 20 far 0 67 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 63 0 - 4.3-8.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.6-9.0 HB3 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 52 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 44 0 - 5.2-8.1 HB2 LYS 94 - HB3 ARG 91 far 0 27 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 45 0 - 5.5-8.4 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.5-9.5 HB2 LYS 24 - HD3 LYS 20 far 0 73 0 - 6.5-11.0 HB3 LYS 24 - HD3 LYS 20 far 0 73 0 - 7.1-11.4 HB2 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 7.5-10.8 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 27 assignments used, quality = 1.00: * HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-3.8 3.6=61, 3.0/3234=20...(122) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.5 3.6=61, 3.0/3294=18...(122) HB2 LYS 73 + HD2 LYS 73 OK 90 100 90 100 2.3-4.2 3.6=61, 3.0/3294=18...(126) HB2 LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.8-4.2 3.6=61, 3.0/3234=20...(126) HB3 LYS 20 + HD3 LYS 20 OK 59 60 100 98 2.0-3.7 3.5=64, ~848=12...(64) HB3 LYS 20 + HD2 LYS 20 OK 50 57 90 98 2.0-4.2 3.5=64, ~848=12...(64) HB2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.2-3.8 3.9=46, 2134/6774=14...(100) HB2 LYS 47 + HD3 LYS 47 OK 44 47 95 99 3.1-4.0 3.9=46, 2134/6774=14...(103) HB3 LYS 47 + HD2 LYS 47 OK 31 31 100 99 2.0-3.7 3.9=46, 4.0/6774=13...(111) HB3 LYS 47 + HD3 LYS 47 OK 23 30 75 99 2.3-4.2 3.9=46, 4.0/6774=12...(113) HB3 ARG 19 - HD2 LYS 20 poor 13 51 25 - 2.8-7.4 HB3 ARG 19 - HD3 LYS 20 far 8 54 15 - 2.9-8.1 HB2 GLU 17 - HD3 LYS 20 far 0 67 0 - 4.3-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 64 0 - 4.3-8.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.6-9.0 HB3 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.2-8.5 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 5.2-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 43 0 - 5.2-8.1 HB2 LYS 94 - HB3 ARG 91 far 0 28 0 - 5.3-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 5.5-8.2 HB2 ARG 46 - HD2 LYS 47 far 0 44 0 - 5.5-8.4 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.5-9.5 HB2 LYS 24 - HD3 LYS 20 far 0 73 0 - 6.5-11.0 HB3 LYS 24 - HD3 LYS 20 far 0 73 0 - 7.1-11.4 HB2 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.2-11.4 HB3 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.4-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 45 0 - 7.5-10.8 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 28 assignments used, quality = 1.00: HG2 LYS 73 + HD2 LYS 73 OK 95 100 100 95 2.2-3.0 3.0=65, 1.8/3278=10...(57) * HG2 LYS 73 + HD3 LYS 73 OK 95 100 100 95 2.4-3.0 3.0=65, 1.8/3278=10...(57) HG2 LYS 47 + HD2 LYS 47 OK 49 52 100 95 2.4-3.0 3.0=64, 1.8/2174=12...(67) 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 96 2.2-3.0 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...(56) HG2 LYS 20 + HD2 LYS 20 OK 37 40 100 91 2.2-2.9 2.8=72, 6309/5.9=5...(54) HG LEU 2 - HD2 LYS 47 far 0 40 0 - 5.7-12.1 HG LEU 2 - HD3 LYS 47 far 0 39 0 - 6.2-12.9 HG3 LYS 24 - HD3 LYS 20 far 0 67 0 - 6.4-10.2 HG13 ILE 52 - HD2 LYS 47 far 0 28 0 - 6.8-11.5 HG3 LYS 24 - HD2 LYS 20 far 0 63 0 - 6.8-9.4 HG2 LYS 66 - HD2 LYS 73 far 0 100 0 - 7.4-12.7 HG13 ILE 52 - HD3 LYS 47 far 0 28 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 100 0 - 7.6-12.9 HB2 LEU 38 - HD3 LYS 73 far 0 63 0 - 7.7-14.9 HG LEU 57 - HB3 ARG 91 far 0 48 0 - 7.7-9.7 HG LEU 38 - HD3 LYS 73 far 0 71 0 - 7.8-15.0 HG3 LYS 66 - HD3 LYS 73 far 0 100 0 - 7.9-13.0 HG LEU 38 - HD2 LYS 73 far 0 71 0 - 8.0-15.4 HG3 LYS 13 - HD3 LYS 20 far 0 73 0 - 8.0-12.9 HG3 LYS 13 - HD2 LYS 20 far 0 70 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 100 0 - 8.3-12.9 HB2 LEU 38 - HD2 LYS 73 far 0 63 0 - 8.8-14.7 HB2 LEU 14 - HD3 LYS 20 far 0 50 0 - 9.4-13.1 HB2 LEU 14 - HD2 LYS 20 far 0 47 0 - 9.6-12.6 HB ILE 7 - HD2 LYS 20 far 0 47 0 - 9.9-13.2 HG3 ARG 30 - HD3 LYS 47 far 0 25 0 - 10.0-17.2 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 20 assignments used, quality = 1.00: HG3 LYS 73 + HD2 LYS 73 OK 90 100 100 90 2.2-3.0 3.0=54, 7208/7210=10...(57) * HG3 LYS 73 + HD3 LYS 73 OK 89 100 100 89 2.2-3.0 3.0=54, 3278/1.8=9...(57) HG3 LYS 47 + HD2 LYS 47 OK 36 39 100 91 2.4-3.0 3.0=53, 2175/1.8=9...(57) HG3 LYS 47 + HD3 LYS 47 OK 35 38 100 91 2.2-3.0 3.0=53, 2175/1.8=9...(64) HG2 ARG 19 - HD2 LYS 20 far 3 66 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 69 0 - 3.9-9.2 HD2 LYS 94 - HB3 ARG 91 far 0 36 0 - 4.4-8.0 HD3 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 45 0 - 4.5-7.6 HG3 LYS 90 - HD3 LYS 20 far 0 68 0 - 5.5-10.4 HG3 LYS 90 - HD2 LYS 20 far 0 65 0 - 6.1-10.5 HD2 LYS 66 - HD3 LYS 73 far 0 100 0 - 6.2-13.3 HD2 LYS 66 - HD2 LYS 73 far 0 100 0 - 6.6-14.4 HG2 LYS 24 - HD3 LYS 20 far 0 70 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 67 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 71 0 - 7.2-11.0 HB3 LEU 29 - HD3 LYS 20 far 0 74 0 - 7.6-11.3 HB3 GLU 28 - HD2 LYS 47 far 0 28 0 - 8.5-16.0 HB3 GLU 28 - HD3 LYS 47 far 0 28 0 - 8.7-16.3 HG3 LYS 12 - HD2 LYS 20 far 0 70 0 - 9.5-14.1 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 33 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 40 40 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 40 40 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 39 39 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 38 38 100 100 2.3-3.0 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 HE3 LYS 90 - HB3 ARG 91 far 2 45 5 - 3.7-9.0 HE2 LYS 94 - HB3 ARG 91 far 0 31 0 - 4.4-9.6 HE3 LYS 90 - HD3 LYS 20 far 0 67 0 - 4.5-12.2 HE3 LYS 24 - HD3 LYS 20 far 0 70 0 - 5.0-11.4 HG2 MET 21 - HB3 ARG 91 far 0 47 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 70 0 - 6.0-9.2 HE3 LYS 24 - HD2 LYS 20 far 0 67 0 - 6.2-12.0 HE3 LYS 90 - HD2 LYS 20 far 0 64 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 45 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 70 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 46 0 - 6.3-9.6 HB2 PHE 45 - HD3 LYS 47 far 0 30 0 - 6.4-9.8 HE2 LYS 24 - HD2 LYS 20 far 0 67 0 - 6.5-11.7 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 20 far 0 72 0 - 6.6-14.0 HE2 LYS 13 - HD2 LYS 20 far 0 68 0 - 6.7-13.3 HB2 PHE 45 - HD2 LYS 47 far 0 31 0 - 6.9-9.4 HE3 LYS 13 - HD3 LYS 20 far 0 73 0 - 7.6-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 69 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 68 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 65 0 - 8.2-15.0 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 38 assignments used, quality = 1.00: * HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 45 45 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 35 35 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 34 34 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 34 34 100 100 2.3-3.0 3.0=100 HE3 LYS 90 - HB3 ARG 91 far 2 47 5 - 3.7-9.0 HE2 LYS 94 - HB3 ARG 91 far 0 36 0 - 4.4-9.6 HE3 LYS 90 - HD3 LYS 20 far 0 71 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 27 0 - 4.6-8.8 HE3 LYS 24 - HD3 LYS 20 far 0 67 0 - 5.0-11.4 HG2 MET 21 - HB3 ARG 91 far 0 49 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 73 0 - 6.0-9.2 HE3 LYS 24 - HD2 LYS 20 far 0 63 0 - 6.2-12.0 HE3 LYS 90 - HD2 LYS 20 far 0 68 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 41 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 67 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 42 0 - 6.3-9.6 HB2 PHE 45 - HD3 LYS 47 far 0 26 0 - 6.4-9.8 HE2 LYS 24 - HD2 LYS 20 far 0 63 0 - 6.5-11.7 HG2 MET 21 - HD2 LYS 20 far 0 70 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 20 far 0 68 0 - 6.6-14.0 HE2 LYS 13 - HD2 LYS 20 far 0 65 0 - 6.7-13.3 HB2 PHE 45 - HD2 LYS 47 far 0 26 0 - 6.9-9.4 HE3 LYS 13 - HD3 LYS 20 far 0 70 0 - 7.6-13.3 HE2 LYS 68 - HD3 LYS 73 far 0 65 0 - 7.7-14.2 HE3 LYS 13 - HD2 LYS 20 far 0 67 0 - 8.0-13.0 HE3 LYS 12 - HD3 LYS 20 far 0 64 0 - 8.1-13.8 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 8.2-15.0 HE2 LYS 68 - HD2 LYS 73 far 0 65 0 - 8.6-14.0 HE3 LYS 68 - HD3 LYS 73 far 0 61 0 - 9.4-14.9 HE3 LYS 68 - HD2 LYS 73 far 0 61 0 - 9.9-14.4 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 7 assignments used, quality = 0.98: H MET 74 + HD2 LYS 73 OK 95 100 95 100 3.8-6.2 7220/3.0=74, 7219/3.0=73...(11) * H MET 74 + HD3 LYS 73 OK 70 100 70 100 4.0-6.6 7220/3.0=74, 7219/3.0=73...(11) H SER 49 - HD2 LYS 47 far 6 42 15 - 5.9-9.8 H SER 49 - HD3 LYS 47 far 0 41 0 - 6.7-8.9 H ALA 25 - HD2 LYS 20 far 0 39 0 - 8.9-11.6 H ALA 25 - HD3 LYS 20 far 0 41 0 - 8.9-11.5 H GLU 37 - HD3 LYS 73 far 0 100 0 - 10.0-16.4 Violated in 2 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (4.17, 2.95, 41.80 ppm; 4.20 A): 6 out of 16 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 83 93 90 100 3.7-5.4 486/3.8=58, 518/3.8=49...(52) HA LYS 73 + HE3 LYS 73 OK 80 100 80 100 3.7-6.4 3232/4.0=39, 3231/4.0=37...(66) HA LYS 13 + HE2 LYS 13 OK 64 91 70 100 2.7-6.1 486/3.8=58, 518/3.8=49...(52) * HA LYS 73 + HE2 LYS 73 OK 60 100 60 100 4.2-6.1 3232/4.0=39, 3231/4.0=37...(67) HA LYS 47 + HE2 LYS 47 OK 35 54 65 100 2.3-6.5 2126/3.8=31, 2127/3.8=31...(83) HA LYS 47 + HE3 LYS 47 OK 32 54 60 100 3.1-6.4 2126/3.8=31, 2127/3.8=31...(83) HA GLU 23 - HE2 LYS 24 far 4 79 5 - 4.7-8.7 HA LYS 13 - HE3 LYS 12 far 0 85 0 - 5.7-9.1 HA GLU 23 - HE3 LYS 24 far 0 79 0 - 5.9-9.6 HB3 SER 85 - HE3 LYS 90 far 0 81 0 - 6.6-9.5 HA LYS 13 - HE3 LYS 90 far 0 83 0 - 7.1-12.7 HA GLN 72 - HE2 LYS 73 far 0 95 0 - 8.0-9.6 HA GLN 72 - HE3 LYS 73 far 0 94 0 - 8.0-9.7 HB3 SER 85 - HE2 LYS 13 far 0 89 0 - 9.8-14.6 HA MET 1 - HE3 LYS 47 far 0 70 0 - 9.9-17.0 HA MET 1 - HE2 LYS 47 far 0 70 0 - 10.0-16.2 Violated in 0 structures by 0.00 A. Peak 3306 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.35 A): 12 out of 37 assignments used, quality = 1.00: HB3 LYS 73 + HE2 LYS 73 OK 69 100 70 99 2.5-4.8 4.9=32, 4.1/7211=9...(119) HB3 LYS 73 + HE3 LYS 73 OK 69 100 70 99 2.1-4.6 4.9=32, 4.1/7211=9...(119) HB2 LYS 47 + HE2 LYS 47 OK 57 72 80 99 2.0-4.6 4.9=33, 1.8/2155=13...(104) HB2 LYS 47 + HE3 LYS 47 OK 57 72 80 99 2.0-4.4 4.9=33, 1.8/2154=13...(104) HB3 LYS 24 + HE2 LYS 24 OK 57 96 60 98 2.1-5.5 4.9=31, ~12306=13...(101) HB2 LYS 24 + HE2 LYS 24 OK 47 96 50 98 2.1-5.0 4.9=31, ~12306=13...(101) HB3 LYS 24 + HE3 LYS 24 OK 43 96 45 99 2.3-5.4 4.9=31, ~12306=13...(101) HB2 LYS 24 + HE3 LYS 24 OK 38 96 40 98 2.2-5.4 4.9=31, ~12306=13...(101) HB2 GLU 17 + HE3 LYS 90 OK 35 84 60 70 2.0-6.0 3.0/11024=29...(11) * HB2 LYS 73 + HE2 LYS 73 OK 35 100 35 99 3.4-5.1 4.9=32, 4.1/7211=9...(119) HB3 LYS 47 + HE2 LYS 47 OK 32 47 70 98 2.0-5.0 4.9=33, 2154/1.8=10...(111) HB3 LYS 47 + HE3 LYS 47 OK 32 47 70 98 2.7-5.0 4.9=33, 2154/1.8=10...(111) HB2 LYS 73 - HE3 LYS 73 poor 20 100 20 - 3.3-5.2 HB3 ARG 46 - HE3 LYS 47 far 11 76 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 11 76 15 - 3.7-9.9 HB2 ARG 46 - HE3 LYS 47 far 10 67 15 - 3.8-9.5 HB2 ARG 46 - HE2 LYS 47 far 7 67 10 - 3.7-9.4 HB3 LYS 20 - HE3 LYS 24 far 0 82 0 - 4.3-9.9 HB3 LYS 20 - HE2 LYS 24 far 0 82 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 99 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 100 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 92 0 - 6.3-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 61 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 86 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 69 0 - 6.9-14.2 HB2 LYS 94 - HE3 LYS 90 far 0 57 0 - 7.4-10.5 HB3 ARG 19 - HE3 LYS 12 far 0 70 0 - 7.5-12.4 HB2 GLU 17 - HE3 LYS 13 far 0 93 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 74 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 74 0 - 8.3-14.3 HB2 LYS 94 - HE3 LYS 24 far 0 61 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 84 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 91 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.3-12.7 HB2 GLU 17 - HE3 LYS 24 far 0 90 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 90 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3307 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.35 A): 12 out of 38 assignments used, quality = 1.00: * HB3 LYS 73 + HE2 LYS 73 OK 69 100 70 99 2.5-4.8 4.9=32, 4.1/7211=9...(119) HB3 LYS 73 + HE3 LYS 73 OK 69 100 70 99 2.1-4.6 4.9=32, 4.1/7211=9...(119) HB3 LYS 24 + HE2 LYS 24 OK 57 96 60 98 2.1-5.5 4.9=31, ~12306=13...(101) HB2 LYS 47 + HE2 LYS 47 OK 56 72 80 99 2.0-4.6 4.9=33, 1.8/2155=13...(104) HB2 LYS 47 + HE3 LYS 47 OK 56 72 80 99 2.0-4.4 4.9=33, 1.8/2154=13...(104) HB2 LYS 24 + HE2 LYS 24 OK 47 96 50 98 2.1-5.0 4.9=31, ~12306=13...(101) HB3 LYS 24 + HE3 LYS 24 OK 42 96 45 99 2.3-5.4 4.9=31, ~12306=13...(101) HB2 LYS 24 + HE3 LYS 24 OK 38 96 40 98 2.2-5.4 4.9=31, ~12306=13...(101) HB2 GLU 17 + HE3 LYS 90 OK 36 85 60 70 2.0-6.0 3.0/11024=29...(11) HB2 LYS 73 + HE2 LYS 73 OK 35 100 35 99 3.4-5.1 4.9=32, 4.1/7211=9...(119) HB3 LYS 47 + HE2 LYS 47 OK 33 48 70 99 2.0-5.0 4.9=33, 2154/1.8=10...(111) HB3 LYS 47 + HE3 LYS 47 OK 33 48 70 98 2.7-5.0 4.9=33, 2154/1.8=10...(111) HB2 LYS 73 - HE3 LYS 73 poor 20 100 20 - 3.3-5.2 HB3 ARG 46 - HE3 LYS 47 far 11 76 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 11 76 15 - 3.7-9.9 HB2 ARG 46 - HE3 LYS 47 far 10 66 15 - 3.8-9.5 HB2 ARG 46 - HE2 LYS 47 far 7 66 10 - 3.7-9.4 HB3 LYS 20 - HE3 LYS 24 far 0 83 0 - 4.3-9.9 HB3 LYS 20 - HE2 LYS 24 far 0 83 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 78 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 99 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 100 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 93 0 - 6.3-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 63 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 87 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 70 0 - 6.9-14.2 HB2 LYS 94 - HE3 LYS 90 far 0 58 0 - 7.4-10.5 HB3 ARG 19 - HE3 LYS 12 far 0 72 0 - 7.5-12.4 HB2 LYS 33 - HE3 LYS 12 far 0 51 0 - 7.7-15.1 HB2 GLU 17 - HE3 LYS 13 far 0 94 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 76 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 76 0 - 8.3-14.3 HB2 LYS 94 - HE3 LYS 24 far 0 63 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 85 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 91 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.3-12.7 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.7-14.4 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 39 assignments used, quality = 1.00: HG2 LYS 73 + HE3 LYS 73 OK 98 100 100 98 2.2-3.9 4.0=45, 3297/3.0=13...(103) * HG2 LYS 73 + HE2 LYS 73 OK 88 100 90 98 2.0-4.0 4.0=45, 3297/3.0=13...(101) HG3 LYS 13 + HE2 LYS 13 OK 87 98 95 94 2.6-4.1 3.8=52, 486/6.0=13...(68) HG3 LYS 24 + HE2 LYS 24 OK 84 90 95 98 2.2-4.1 3.7=56, 1.8/1132=12...(99) HG3 LYS 13 + HE3 LYS 13 OK 79 99 85 94 2.1-4.2 3.8=52, 486/6.0=13...(68) HG2 LYS 47 + HE3 LYS 47 OK 75 76 100 99 2.1-3.8 3.8=54, 1.8/2177=11...(108) HG3 LYS 24 + HE3 LYS 24 OK 66 90 75 98 2.1-4.2 3.7=56, 1.8/1132=14...(99) HG2 LYS 47 + HE2 LYS 47 OK 60 76 80 99 2.0-4.2 3.8=54, 1.8/2177=11...(108) HB2 ARG 91 - HE3 LYS 90 far 14 91 15 - 3.9-9.5 HG2 LYS 20 - HE3 LYS 24 far 0 61 0 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 0 61 0 - 4.5-11.6 HG LEU 2 - HE2 LYS 47 far 0 61 0 - 5.1-12.4 HG LEU 2 - HE3 LYS 47 far 0 61 0 - 5.3-12.9 HG2 LYS 20 - HE3 LYS 90 far 0 57 0 - 5.3-12.7 HG3 LYS 13 - HE3 LYS 12 far 0 93 0 - 5.4-10.6 HB2 LEU 14 - HE3 LYS 90 far 0 65 0 - 5.7-11.0 HG13 ILE 52 - HE2 LYS 47 far 0 44 0 - 6.3-11.4 HB2 LEU 14 - HE3 LYS 13 far 0 74 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 73 0 - 7.3-9.7 HB ILE 7 - HE3 LYS 90 far 0 65 0 - 7.3-13.5 HG13 ILE 52 - HE3 LYS 47 far 0 44 0 - 7.4-12.6 HG3 LYS 33 - HE3 LYS 12 far 0 89 0 - 7.5-12.5 HG LEU 57 - HE3 LYS 90 far 0 90 0 - 7.8-11.7 HG2 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.3-11.8 HG3 LYS 13 - HE3 LYS 90 far 0 91 0 - 8.4-14.4 HG3 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.5-11.8 HG3 LYS 24 - HE3 LYS 90 far 0 84 0 - 8.5-13.8 HB2 LEU 38 - HE2 LYS 73 far 0 63 0 - 8.5-15.3 HG2 LYS 20 - HE3 LYS 12 far 0 58 0 - 9.0-14.6 HG2 LYS 20 - HE2 LYS 13 far 0 63 0 - 9.1-15.2 HB2 LEU 38 - HE3 LYS 73 far 0 62 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 61 0 - 9.4-11.9 HG2 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.4-12.7 HG LEU 38 - HE2 LYS 73 far 0 71 0 - 9.5-14.8 HB ILE 7 - HE3 LYS 12 far 0 67 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 67 0 - 9.8-11.7 HB2 LEU 27 - HE3 LYS 24 far 0 61 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 65 0 - 9.9-14.9 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 33 assignments used, quality = 1.00: HG2 LYS 24 + HE3 LYS 24 OK 87 93 100 93 2.4-3.7 3.7=43, 1121/3.0=9...(71) * HG3 LYS 73 + HE2 LYS 73 OK 79 100 85 93 2.4-4.0 4.0=35, 3298/3.0=18...(70) HG2 LYS 24 + HE2 LYS 24 OK 73 93 85 93 2.0-3.9 3.7=43, 1121/3.0=9...(71) HG3 LYS 90 + HE3 LYS 90 OK 73 86 100 85 2.1-3.7 3.8=41, 1.8/4005=35...(15) HG3 LYS 73 + HE3 LYS 73 OK 56 100 60 94 2.3-4.2 4.0=35, 3298/3.0=18...(70) HG3 LYS 47 + HE2 LYS 47 OK 45 59 80 95 2.4-4.2 3.8=42, 2176/1.8=9...(74) HG3 LYS 12 + HE3 LYS 12 OK 42 93 50 91 2.4-4.2 4.0=36, ~463=28, ~423=21...(36) HG3 LYS 47 + HE3 LYS 47 OK 36 59 65 94 2.0-4.2 3.8=42, 2177/1.8=9...(74) HG3 LYS 12 - HE2 LYS 13 far 0 98 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 100 0 - 6.2-13.7 HD3 LYS 94 - HE3 LYS 90 far 0 92 0 - 6.3-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 72 0 - 7.7-11.2 HG2 ARG 19 - HE3 LYS 12 far 0 89 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 100 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 97 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 77 0 - 8.2-13.0 HB3 GLU 28 - HE2 LYS 47 far 0 44 0 - 8.2-16.2 HG2 ARG 19 - HE3 LYS 90 far 0 87 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 88 0 - 8.3-12.2 HG LEU 27 - HE2 LYS 24 far 0 97 0 - 8.5-11.7 HB3 GLU 28 - HE3 LYS 47 far 0 44 0 - 8.8-16.9 HG3 LYS 90 - HE2 LYS 13 far 0 94 0 - 9.0-15.4 HG3 LYS 90 - HE2 LYS 24 far 0 92 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 97 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 77 0 - 9.6-12.9 HB3 LEU 29 - HE3 LYS 90 far 0 92 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 24 far 0 97 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 96 0 - 9.7-14.1 HG3 LYS 90 - HE3 LYS 24 far 0 92 0 - 9.8-13.3 HG2 ARG 19 - HE3 LYS 24 far 0 92 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 92 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 96 0 - 9.9-14.5 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 72 assignments used, quality = 1.00: HD3 LYS 73 + HE2 LYS 73 OK 87 100 100 87 2.2-3.0 3.0=63, 3298/4.0=9...(48) HD3 LYS 73 + HE3 LYS 73 OK 87 100 100 87 2.2-3.0 3.0=63, 3298/4.0=9...(48) * HD2 LYS 73 + HE2 LYS 73 OK 86 100 100 86 2.3-3.0 3.0=63, 3298/4.0=9...(44) HD2 LYS 73 + HE3 LYS 73 OK 86 100 100 86 2.2-3.0 3.0=63, 3298/4.0=9...(44) HD2 LYS 24 + HE3 LYS 24 OK 66 74 100 89 2.2-3.0 3.0=64, 3.0/1092=5...(53) HD2 LYS 24 + HE2 LYS 24 OK 66 74 100 88 2.4-3.0 3.0=64, 3.0/1092=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 64 72 100 89 2.4-3.0 3.0=64, 3.0/1092=5...(53) HD3 LYS 24 + HE2 LYS 24 OK 64 72 100 88 2.2-3.0 3.0=64, 3.0/1092=5...(53) HD2 LYS 13 + HE3 LYS 13 OK 62 69 100 90 2.2-3.0 2.9=66, 3.0/576=9...(48) HD2 LYS 47 + HE2 LYS 47 OK 61 71 100 87 2.2-3.0 3.0=64, 3.0/2177=5...(49) HD2 LYS 47 + HE3 LYS 47 OK 61 71 100 86 2.2-3.0 3.0=64, 3.0/2176=5...(49) HD3 LYS 47 + HE2 LYS 47 OK 61 70 100 87 2.2-3.0 3.0=64, 3.0/2177=5...(49) HD3 LYS 47 + HE3 LYS 47 OK 60 70 100 86 2.3-3.0 3.0=64, 3.0/2176=5...(49) HD2 LYS 13 + HE2 LYS 13 OK 60 67 100 90 2.4-3.0 2.9=66, 3.0/576=9...(48) HD3 LYS 13 + HE3 LYS 13 OK 58 65 100 90 2.2-3.0 2.9=66, 3.0/576=9...(48) HD3 LYS 13 + HE2 LYS 13 OK 57 63 100 90 2.3-3.0 2.9=66, 3.0/576=9...(48) HD3 LYS 90 + HE3 LYS 90 OK 54 67 100 80 2.3-3.0 3.0=65, 2.9/4005=22...(13) HD2 LYS 12 + HE3 LYS 12 OK 53 62 100 85 2.3-3.0 3.0=63, ~463=14, ~423=11...(28) HD3 LYS 12 + HE3 LYS 12 OK 53 62 100 85 2.2-3.0 3.0=63, ~463=14, ~423=11...(28) HD2 LYS 39 - HE2 LYS 73 far 15 98 15 - 2.5-10.1 HD3 LYS 39 - HE2 LYS 73 far 4 84 5 - 3.4-10.1 HD3 LYS 39 - HE3 LYS 73 far 4 83 5 - 3.2-10.4 HB3 ARG 91 - HE3 LYS 90 far 0 85 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 73 0 - 4.0-7.7 HD2 LYS 39 - HE3 LYS 73 far 0 97 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 4.3-11.4 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 91 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 58 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 91 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 69 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 75 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 81 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 62 0 - 5.4-12.0 HG12 ILE 15 - HE3 LYS 12 far 0 73 0 - 5.6-9.2 HG LEU 70 - HE3 LYS 73 far 0 74 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 70 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 83 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 89 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 67 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 69 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 67 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 97 0 - 6.6-14.0 HD2 LYS 20 - HE2 LYS 13 far 0 96 0 - 6.7-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 45 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 68 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 45 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 98 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 97 0 - 8.0-13.0 HG12 ILE 15 - HE3 LYS 90 far 0 72 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 92 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 91 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 97 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 67 0 - 8.6-13.4 HG2 LYS 68 - HE2 LYS 73 far 0 85 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 75 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 72 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 87 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 88 0 - 9.3-12.8 HD2 LYS 24 - HE3 LYS 90 far 0 69 0 - 9.7-13.7 HD2 LYS 68 - HE3 LYS 73 far 0 95 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 92 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 84 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 98 0 - 10.0-14.9 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 72 assignments used, quality = 1.00: * HD3 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.2-3.0 3.0=71, 3298/4.0=10...(51) HD3 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.2-3.0 3.0=71, 3298/4.0=10...(51) HD2 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.3-3.0 3.0=71, 3298/4.0=10...(47) HD2 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.2-3.0 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, 3.0/1092=5...(59) HD2 LYS 24 + HE2 LYS 24 OK 65 71 100 92 2.4-3.0 3.0=72, 3.0/1093=5...(59) HD3 LYS 24 + HE3 LYS 24 OK 64 69 100 92 2.4-3.0 3.0=72, 3.0/1092=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) HD2 LYS 47 + HE2 LYS 47 OK 63 69 100 91 2.2-3.0 3.0=72, 3.0/2176=6...(51) HD2 LYS 47 + HE3 LYS 47 OK 63 69 100 91 2.2-3.0 3.0=72, 3.0/2177=6...(51) HD3 LYS 47 + HE2 LYS 47 OK 62 68 100 91 2.2-3.0 3.0=72, 3.0/2176=6...(51) HD3 LYS 47 + HE3 LYS 47 OK 62 68 100 91 2.3-3.0 3.0=72, 3.0/2176=6...(51) HD2 LYS 13 + HE3 LYS 13 OK 61 65 100 93 2.2-3.0 2.9=74, 3.0/576=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 59 63 100 93 2.4-3.0 2.9=74, 3.0/576=10...(52) HD3 LYS 13 + HE3 LYS 13 OK 57 61 100 93 2.2-3.0 2.9=74, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 56 60 100 93 2.3-3.0 2.9=74, 3.0/576=10...(52) HD3 LYS 90 + HE3 LYS 90 OK 55 64 100 86 2.3-3.0 3.0=73, 2.9/4005=24...(13) HD2 LYS 12 + HE3 LYS 12 OK 52 58 100 90 2.3-3.0 3.0=71, ~463=16, ~423=12...(32) HD3 LYS 12 + HE3 LYS 12 OK 52 58 100 90 2.2-3.0 3.0=71, ~463=16, ~423=12...(32) HD2 LYS 39 - HE2 LYS 73 far 15 99 15 - 2.5-10.1 HD3 LYS 39 - HE2 LYS 73 far 4 87 5 - 3.4-10.1 HD3 LYS 39 - HE3 LYS 73 far 4 86 5 - 3.2-10.4 HB3 ARG 91 - HE3 LYS 90 far 0 83 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 70 0 - 4.0-7.7 HD2 LYS 39 - HE3 LYS 73 far 0 98 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 4.3-11.4 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 90 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 54 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 90 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 65 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 71 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 78 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 58 0 - 5.4-12.0 HG12 ILE 15 - HE3 LYS 12 far 0 70 0 - 5.6-9.2 HG LEU 70 - HE3 LYS 73 far 0 70 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 65 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 80 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 88 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 63 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 75 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 65 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 63 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 96 0 - 6.6-14.0 HD2 LYS 20 - HE2 LYS 13 far 0 95 0 - 6.7-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 42 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 75 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 64 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 42 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 53 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 98 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 96 0 - 8.0-13.0 HG12 ILE 15 - HE3 LYS 90 far 0 69 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 91 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 96 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 64 0 - 8.6-13.4 HG2 LYS 68 - HE2 LYS 73 far 0 88 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 71 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 69 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 89 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 91 0 - 9.3-12.8 HD2 LYS 24 - HE3 LYS 90 far 0 65 0 - 9.7-13.7 HD2 LYS 68 - HE3 LYS 73 far 0 97 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 91 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 87 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 98 0 - 10.0-14.9 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): 6 out of 18 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 88 88 100 100 3.7-5.4 486/3.8=69, 518/3.8=60...(52) * HA LYS 73 + HE3 LYS 73 OK 85 100 85 100 3.7-6.4 3232/4.0=47, 3231/4.0=45...(66) HA LYS 73 + HE2 LYS 73 OK 70 100 70 100 4.2-6.1 3232/4.0=47, 3231/4.0=45...(67) HA LYS 13 + HE2 LYS 13 OK 68 85 80 100 2.7-6.1 486/3.8=69, 518/3.8=60...(52) HA LYS 47 + HE3 LYS 47 OK 33 44 75 100 3.1-6.4 6.3=42, 2127/3.8=37...(83) HA LYS 47 + HE2 LYS 47 OK 31 44 70 100 2.3-6.5 6.3=42, 2127/3.8=37...(83) HA GLU 23 - HE2 LYS 24 far 7 72 10 - 4.7-8.7 HA LYS 13 - HE3 LYS 12 far 0 76 0 - 5.7-9.1 HA GLU 23 - HE3 LYS 24 far 0 72 0 - 5.9-9.6 HB3 SER 85 - HE3 LYS 90 far 0 88 0 - 6.6-9.5 HA LYS 13 - HE3 LYS 90 far 0 90 0 - 7.1-12.7 HA GLU 98 - HE2 LYS 94 far 0 61 0 - 7.8-10.7 HA GLN 72 - HE2 LYS 73 far 0 94 0 - 8.0-9.6 HA GLN 72 - HE3 LYS 73 far 0 95 0 - 8.0-9.7 HA GLU 23 - HE2 LYS 94 far 0 52 0 - 9.4-15.7 HB3 SER 85 - HE2 LYS 13 far 0 83 0 - 9.8-14.6 HA MET 1 - HE3 LYS 47 far 0 58 0 - 9.9-17.0 HA MET 1 - HE2 LYS 47 far 0 58 0 - 10.0-16.2 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 43 assignments used, quality = 1.00: HB3 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.1-4.6 4.9=46, 4.1/7212=13...(121) HB3 LYS 73 + HE2 LYS 73 OK 90 100 90 100 2.5-4.8 4.9=46, 3.0/3236=13...(121) HB2 LYS 24 + HE2 LYS 24 OK 80 90 90 100 2.1-5.0 4.9=45, ~12306=18...(108) HB3 LYS 24 + HE3 LYS 24 OK 72 90 80 100 2.3-5.4 4.9=45, ~12306=18...(108) * HB2 LYS 73 + HE3 LYS 73 OK 65 100 65 100 3.3-5.2 4.9=46, 4.1/7212=13...(121) HB2 LYS 73 + HE2 LYS 73 OK 65 100 65 100 3.4-5.1 4.9=46, 3.0/3236=13...(121) HB2 LYS 24 + HE3 LYS 24 OK 63 90 70 100 2.2-5.4 4.9=45, ~12306=18...(108) HB2 LYS 47 + HE2 LYS 47 OK 59 59 100 100 2.0-4.6 4.9=47, 2134/6.6=18...(111) HB2 LYS 47 + HE3 LYS 47 OK 59 59 100 100 2.0-4.4 4.9=47, 2134/6.6=18...(111) HB3 LYS 24 + HE2 LYS 24 OK 58 90 65 100 2.1-5.5 4.9=45, ~12306=18...(108) HB2 GLU 17 + HE3 LYS 90 OK 52 91 70 82 2.0-6.0 3.0/11024=37...(12) HB2 LYS 94 + HE2 LYS 94 OK 36 39 95 98 2.0-4.9 4.8=50, 1.8/4205=26...(35) HB3 LYS 47 + HE2 LYS 47 OK 36 38 95 100 2.0-5.0 4.9=47, 2155/1.8=13...(119) HB3 LYS 47 + HE3 LYS 47 OK 36 38 95 100 2.7-5.0 4.9=47, 2154/1.8=13...(118) HB3 LYS 24 - HE2 LYS 94 far 10 67 15 - 4.1-11.2 HB3 ARG 46 - HE3 LYS 47 far 9 63 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 9 63 15 - 3.7-9.9 HB2 ARG 46 - HE2 LYS 47 far 8 55 15 - 3.7-9.4 HB2 ARG 46 - HE3 LYS 47 far 8 55 15 - 3.8-9.5 HB3 LYS 20 - HE3 LYS 24 far 7 75 10 - 4.3-9.9 HB2 LYS 24 - HE2 LYS 94 far 3 67 5 - 3.5-11.9 HB3 LYS 20 - HE2 LYS 24 far 0 75 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 83 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 100 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 99 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 86 0 - 6.3-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 55 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 93 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 75 0 - 6.9-14.2 HB2 LYS 94 - HE3 LYS 90 far 0 63 0 - 7.4-10.5 HB3 ARG 19 - HE3 LYS 12 far 0 62 0 - 7.5-12.4 HB3 LYS 20 - HE2 LYS 94 far 0 54 0 - 7.8-15.6 HB2 GLU 17 - HE3 LYS 13 far 0 89 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 67 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 67 0 - 8.3-14.3 HB2 LYS 94 - HE3 LYS 24 far 0 55 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 78 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 97 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 97 0 - 9.3-12.7 HB2 GLU 17 - HE2 LYS 94 far 0 61 0 - 9.4-13.4 HB2 GLU 17 - HE3 LYS 24 far 0 83 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 83 0 - 9.7-14.4 HG3 GLU 88 - HE2 LYS 94 far 0 63 0 - 9.9-15.5 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 44 assignments used, quality = 1.00: * HB3 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.1-4.6 4.9=46, 4.1/7212=13...(121) HB3 LYS 73 + HE2 LYS 73 OK 90 100 90 100 2.5-4.8 4.9=46, 3.0/3236=13...(121) HB2 LYS 24 + HE2 LYS 24 OK 80 89 90 100 2.1-5.0 4.9=45, ~12306=18...(108) HB3 LYS 24 + HE3 LYS 24 OK 71 89 80 100 2.3-5.4 4.9=45, ~12306=18...(108) HB2 LYS 73 + HE3 LYS 73 OK 65 100 65 100 3.3-5.2 4.9=46, 4.1/7212=13...(121) HB2 LYS 73 + HE2 LYS 73 OK 65 100 65 100 3.4-5.1 4.9=46, 3.0/3236=13...(121) HB2 LYS 24 + HE3 LYS 24 OK 62 89 70 100 2.2-5.4 4.9=45, ~12306=18...(108) HB2 LYS 47 + HE2 LYS 47 OK 59 59 100 100 2.0-4.6 4.9=47, 2134/6.6=18...(111) HB2 LYS 47 + HE3 LYS 47 OK 59 59 100 100 2.0-4.4 4.9=47, 2134/6.6=18...(111) HB3 LYS 24 + HE2 LYS 24 OK 58 89 65 100 2.1-5.5 4.9=45, ~12306=18...(108) HB2 GLU 17 + HE3 LYS 90 OK 53 92 70 82 2.0-6.0 3.0/11024=37...(12) HB2 LYS 94 + HE2 LYS 94 OK 37 40 95 98 2.0-4.9 4.8=50, 1.8/4205=26...(35) HB3 LYS 47 + HE2 LYS 47 OK 37 39 95 100 2.0-5.0 4.9=47, 2155/1.8=14...(119) HB3 LYS 47 + HE3 LYS 47 OK 37 39 95 100 2.7-5.0 4.9=47, 2155/1.8=14...(118) HB3 LYS 24 - HE2 LYS 94 far 10 67 15 - 4.1-11.2 HB3 ARG 46 - HE3 LYS 47 far 9 63 15 - 2.8-9.6 HB3 ARG 46 - HE2 LYS 47 far 9 63 15 - 3.7-9.9 HB2 ARG 46 - HE2 LYS 47 far 8 54 15 - 3.7-9.4 HB2 ARG 46 - HE3 LYS 47 far 8 54 15 - 3.8-9.5 HB3 LYS 20 - HE3 LYS 24 far 8 76 10 - 4.3-9.9 HB2 LYS 24 - HE2 LYS 94 far 3 67 5 - 3.5-11.9 HB3 LYS 20 - HE2 LYS 24 far 0 76 0 - 4.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 84 0 - 5.5-9.9 HB3 MET 74 - HE3 LYS 73 far 0 100 0 - 5.6-10.2 HB3 MET 74 - HE2 LYS 73 far 0 99 0 - 5.9-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 87 0 - 6.3-11.8 HB2 LYS 94 - HE2 LYS 24 far 0 57 0 - 6.8-11.4 HG3 GLU 88 - HE3 LYS 90 far 0 93 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 77 0 - 6.9-14.2 HB2 LYS 94 - HE3 LYS 90 far 0 64 0 - 7.4-10.5 HB3 ARG 19 - HE3 LYS 12 far 0 63 0 - 7.5-12.4 HB2 LYS 33 - HE3 LYS 12 far 0 44 0 - 7.7-15.1 HB3 LYS 20 - HE2 LYS 94 far 0 55 0 - 7.8-15.6 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 7.9-12.0 HB3 ARG 19 - HE3 LYS 24 far 0 69 0 - 7.9-14.2 HB3 ARG 19 - HE2 LYS 24 far 0 69 0 - 8.3-14.3 HB2 LYS 94 - HE3 LYS 24 far 0 57 0 - 8.4-11.2 HB3 LYS 20 - HE2 LYS 13 far 0 79 0 - 8.6-14.8 HB3 LYS 24 - HE3 LYS 90 far 0 97 0 - 8.8-12.4 HB2 LYS 24 - HE3 LYS 90 far 0 97 0 - 9.3-12.7 HB2 GLU 17 - HE2 LYS 94 far 0 62 0 - 9.4-13.4 HB2 GLU 17 - HE3 LYS 24 far 0 84 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 84 0 - 9.7-14.4 HG3 GLU 88 - HE2 LYS 94 far 0 63 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.48 A): 8 out of 42 assignments used, quality = 1.00: * HG2 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.2-3.9 4.0=66, 3297/3.0=16...(110) HG2 LYS 73 + HE2 LYS 73 OK 99 100 100 100 2.0-4.0 4.0=66, 3297/3.0=16...(113) HG3 LYS 13 + HE3 LYS 13 OK 94 95 100 99 2.1-4.2 3.8=76, 486/6.0=19...(73) HG3 LYS 13 + HE2 LYS 13 OK 91 93 100 99 2.6-4.1 3.8=76, 486/6.0=19...(73) HG3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.1-4.2 3.7=82, 1096/6.2=16...(106) HG3 LYS 24 + HE2 LYS 24 OK 83 83 100 100 2.2-4.1 3.7=82, 1096/6.2=16...(106) HG2 LYS 47 + HE3 LYS 47 OK 63 63 100 100 2.1-3.8 3.8=79, 6772/6.6=14...(127) HG2 LYS 47 + HE2 LYS 47 OK 63 63 100 100 2.0-4.2 3.8=79, 6772/6.6=14...(128) HB2 ARG 91 - HE3 LYS 90 far 14 97 15 - 3.9-9.5 HG2 LYS 20 - HE3 LYS 24 far 3 55 5 - 4.3-12.0 HG2 LYS 20 - HE2 LYS 24 far 0 55 0 - 4.5-11.6 HB2 ARG 91 - HE2 LYS 94 far 0 67 0 - 4.9-8.9 HG LEU 2 - HE2 LYS 47 far 0 49 0 - 5.1-12.4 HG3 LYS 24 - HE2 LYS 94 far 0 61 0 - 5.2-13.4 HG LEU 2 - HE3 LYS 47 far 0 49 0 - 5.3-12.9 HG2 LYS 20 - HE3 LYS 90 far 0 63 0 - 5.3-12.7 HG3 LYS 13 - HE3 LYS 12 far 0 84 0 - 5.4-10.6 HB2 LEU 14 - HE3 LYS 90 far 0 72 0 - 5.7-11.0 HG13 ILE 52 - HE2 LYS 47 far 0 35 0 - 6.3-11.4 HB2 LEU 14 - HE3 LYS 13 far 0 70 0 - 6.5-9.4 HB2 LEU 14 - HE2 LYS 13 far 0 67 0 - 7.3-9.7 HB ILE 7 - HE3 LYS 90 far 0 72 0 - 7.3-13.5 HG13 ILE 52 - HE3 LYS 47 far 0 35 0 - 7.4-12.6 HG3 LYS 33 - HE3 LYS 12 far 0 81 0 - 7.5-12.5 HG LEU 57 - HE3 LYS 90 far 0 96 0 - 7.8-11.7 HG2 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.3-11.8 HG3 LYS 13 - HE3 LYS 90 far 0 97 0 - 8.4-14.4 HG3 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.5-11.8 HG3 LYS 24 - HE3 LYS 90 far 0 91 0 - 8.5-13.8 HB2 LEU 38 - HE2 LYS 73 far 0 62 0 - 8.5-15.3 HG2 LYS 20 - HE3 LYS 12 far 0 51 0 - 9.0-14.6 HG2 LYS 20 - HE2 LYS 13 far 0 58 0 - 9.1-15.2 HB2 LEU 27 - HE2 LYS 94 far 0 39 0 - 9.3-13.6 HB2 LEU 38 - HE3 LYS 73 far 0 63 0 - 9.4-14.6 HB2 LEU 27 - HE2 LYS 24 far 0 55 0 - 9.4-11.9 HG2 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.4-12.7 HG LEU 38 - HE2 LYS 73 far 0 70 0 - 9.5-14.8 HB ILE 7 - HE3 LYS 12 far 0 59 0 - 9.6-14.3 HG3 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.8-12.8 HB2 LEU 14 - HE3 LYS 12 far 0 59 0 - 9.8-11.7 HB2 LEU 27 - HE3 LYS 24 far 0 55 0 - 9.8-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 60 0 - 9.9-14.9 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 38 assignments used, quality = 1.00: HG2 LYS 24 + HE3 LYS 24 OK 76 86 95 93 2.4-3.7 3.7=42, 1121/3.0=9...(71) HG3 LYS 90 + HE3 LYS 90 OK 75 93 95 85 2.1-3.7 3.8=40, 1.8/4005=39...(15) HG3 LYS 73 + HE2 LYS 73 OK 74 100 80 93 2.4-4.0 4.0=34, 3298/3.0=18...(70) HD3 LYS 94 + HE2 LYS 94 OK 65 68 100 96 2.3-3.0 3.0=85, 3.5/4205=9...(37) HG2 LYS 24 + HE2 LYS 24 OK 64 86 80 92 2.0-3.9 3.7=42, 1121/3.0=9...(71) * HG3 LYS 73 + HE3 LYS 73 OK 56 100 60 93 2.3-4.2 4.0=34, 3298/3.0=18...(70) HD2 LYS 94 + HE2 LYS 94 OK 48 50 100 95 2.2-3.0 3.0=85, 3.5/4205=9...(30) HG3 LYS 12 + HE3 LYS 12 OK 38 84 50 89 2.4-4.2 4.0=35, ~463=27, ~423=21...(35) HG3 LYS 47 + HE2 LYS 47 OK 36 48 80 94 2.4-4.2 3.8=41, 2177/1.8=9...(72) HG3 LYS 47 + HE3 LYS 47 OK 29 48 65 94 2.0-4.2 3.8=41, 2177/1.8=9...(72) HG2 LYS 24 - HE2 LYS 94 far 0 64 0 - 4.6-12.1 HG3 LYS 12 - HE2 LYS 13 far 0 93 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 95 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 100 0 - 6.2-13.7 HD3 LYS 94 - HE3 LYS 90 far 0 97 0 - 6.3-9.9 HG3 LYS 90 - HE2 LYS 94 far 0 63 0 - 6.8-10.7 HD2 LYS 94 - HE3 LYS 90 far 0 78 0 - 7.7-11.2 HG2 ARG 19 - HE3 LYS 12 far 0 80 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 100 0 - 7.9-13.3 HD3 LYS 94 - HE2 LYS 24 far 0 90 0 - 8.1-13.5 HD2 LYS 94 - HE2 LYS 24 far 0 70 0 - 8.2-13.0 HB3 GLU 28 - HE2 LYS 47 far 0 35 0 - 8.2-16.2 HG2 ARG 19 - HE3 LYS 90 far 0 93 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 94 0 - 8.3-12.2 HG LEU 27 - HE2 LYS 24 far 0 90 0 - 8.5-11.7 HG LEU 27 - HE2 LYS 94 far 0 68 0 - 8.5-13.2 HB3 GLU 28 - HE3 LYS 47 far 0 35 0 - 8.8-16.9 HG3 LYS 90 - HE2 LYS 13 far 0 88 0 - 9.0-15.4 HG3 LYS 90 - HE2 LYS 24 far 0 85 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 90 0 - 9.4-13.0 HD2 LYS 94 - HE3 LYS 24 far 0 70 0 - 9.6-12.9 HB3 LEU 29 - HE3 LYS 90 far 0 97 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 24 far 0 90 0 - 9.7-11.7 HB3 LEU 29 - HE2 LYS 24 far 0 90 0 - 9.7-14.1 HG3 LYS 90 - HE3 LYS 24 far 0 85 0 - 9.8-13.3 HG2 ARG 19 - HE3 LYS 24 far 0 85 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 85 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 90 0 - 9.9-14.5 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 77 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.2-3.0 3.0=80, 3298/4.0=11...(51) * HD2 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.2-3.0 3.0=80, 3298/4.0=11...(47) HD3 LYS 73 + HE2 LYS 73 OK 94 100 100 95 2.2-3.0 3.0=80, 3298/4.0=11...(51) HD2 LYS 73 + HE2 LYS 73 OK 94 100 100 95 2.3-3.0 3.0=80, 3298/4.0=11...(47) HD3 LYS 90 + HE3 LYS 90 OK 68 74 100 92 2.3-3.0 3.0=83, 2.9/4005=30...(15) HD2 LYS 24 + HE3 LYS 24 OK 64 67 100 96 2.2-3.0 3.0=82, 3.0/1092=5...(62) HD2 LYS 24 + HE2 LYS 24 OK 64 67 100 95 2.4-3.0 3.0=82, 3.0/1092=5...(62) HD3 LYS 24 + HE3 LYS 24 OK 63 65 100 96 2.4-3.0 3.0=82, 3.0/1092=5...(62) HD3 LYS 24 + HE2 LYS 24 OK 63 65 100 95 2.2-3.0 3.0=82, 3.0/1092=5...(62) HD2 LYS 13 + HE3 LYS 13 OK 62 64 100 97 2.2-3.0 2.9=84, 3.0/576=10...(56) HD2 LYS 13 + HE2 LYS 13 OK 59 62 100 97 2.4-3.0 2.9=84, 3.0/576=10...(56) HD3 LYS 13 + HE3 LYS 13 OK 58 60 100 97 2.2-3.0 2.9=84, 3.0/576=10...(56) HD3 LYS 13 + HE2 LYS 13 OK 56 58 100 97 2.3-3.0 2.9=84, 3.0/576=10...(56) HD2 LYS 47 + HE2 LYS 47 OK 55 58 100 95 2.2-3.0 3.0=82, 2174/3.8=6...(59) HD2 LYS 47 + HE3 LYS 47 OK 55 58 100 95 2.2-3.0 3.0=82, 2174/3.8=6...(59) HD3 LYS 47 + HE2 LYS 47 OK 55 58 100 95 2.2-3.0 3.0=82, 2174/3.8=6...(59) HD3 LYS 47 + HE3 LYS 47 OK 54 58 100 95 2.3-3.0 3.0=82, 2174/3.8=6...(59) HD2 LYS 12 + HE3 LYS 12 OK 51 54 100 94 2.3-3.0 3.0=81, ~463=17, ~423=14...(37) HD3 LYS 12 + HE3 LYS 12 OK 51 54 100 94 2.2-3.0 3.0=81, ~463=17, ~423=14...(37) HD2 LYS 39 - HE2 LYS 73 far 14 97 15 - 2.5-10.1 HD3 LYS 39 - HE3 LYS 73 far 4 84 5 - 3.2-10.4 HD3 LYS 39 - HE2 LYS 73 far 4 83 5 - 3.4-10.1 HB3 ARG 91 - HE3 LYS 90 far 0 92 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 80 0 - 4.0-7.7 HD2 LYS 39 - HE3 LYS 73 far 0 98 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 89 0 - 4.3-11.4 HB3 ARG 91 - HE2 LYS 94 far 0 62 0 - 4.4-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 89 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 96 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 51 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 89 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 96 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 64 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 74 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 75 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 54 0 - 5.4-12.0 HG12 ILE 15 - HE3 LYS 12 far 0 65 0 - 5.6-9.2 HG LEU 70 - HE3 LYS 73 far 0 75 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 68 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 78 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 87 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 95 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 89 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 62 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 63 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 87 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 64 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 62 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 6.6-14.0 HD3 LYS 90 - HE2 LYS 94 far 0 47 0 - 6.7-11.2 HD2 LYS 20 - HE2 LYS 13 far 0 91 0 - 6.7-13.3 HD2 LYS 24 - HE2 LYS 94 far 0 48 0 - 6.8-12.7 HD3 LYS 24 - HE2 LYS 94 far 0 47 0 - 7.2-12.9 HB2 LEU 2 - HE3 LYS 47 far 0 36 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 63 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 70 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 36 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 63 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 94 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 66 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 8.0-13.0 HG12 ILE 15 - HE3 LYS 90 far 0 78 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 82 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 74 0 - 8.6-13.4 HG2 LYS 68 - HE2 LYS 73 far 0 84 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 69 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 65 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 88 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 87 0 - 9.3-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 67 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 75 0 - 9.7-13.7 HD2 LYS 68 - HE3 LYS 73 far 0 96 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 83 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 85 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 94 0 - 10.0-14.9 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 77 assignments used, quality = 1.00: * HD3 LYS 73 + HE3 LYS 73 OK 93 100 100 93 2.2-3.0 3.0=74, 3298/4.0=10...(51) HD2 LYS 73 + HE3 LYS 73 OK 92 100 100 92 2.2-3.0 3.0=74, 3298/4.0=10...(47) HD3 LYS 73 + HE2 LYS 73 OK 92 100 100 93 2.2-3.0 3.0=74, 3298/4.0=10...(51) HD2 LYS 73 + HE2 LYS 73 OK 92 100 100 92 2.3-3.0 3.0=74, 3298/4.0=10...(47) HD3 LYS 90 + HE3 LYS 90 OK 62 70 100 89 2.3-3.0 3.0=76, 2.9/4005=28...(13) HD2 LYS 24 + HE3 LYS 24 OK 60 64 100 94 2.2-3.0 3.0=76, 3.0/1093=5...(59) HD2 LYS 24 + HE2 LYS 24 OK 60 64 100 93 2.4-3.0 3.0=76, 3.0/1092=5...(59) HD3 LYS 24 + HE3 LYS 24 OK 58 62 100 94 2.4-3.0 3.0=76, 3.0/1093=5...(59) HD3 LYS 24 + HE2 LYS 24 OK 58 62 100 93 2.2-3.0 3.0=76, 3.0/1092=5...(59) HD2 LYS 13 + HE3 LYS 13 OK 57 60 100 95 2.2-3.0 2.9=78, 3.0/576=9...(56) HD2 LYS 13 + HE2 LYS 13 OK 55 58 100 95 2.4-3.0 2.9=78, 3.0/576=9...(56) HD3 LYS 13 + HE3 LYS 13 OK 54 57 100 95 2.2-3.0 2.9=78, 3.0/576=9...(56) HD2 LYS 47 + HE2 LYS 47 OK 53 57 100 93 2.2-3.0 3.0=76, 2174/3.8=6...(54) HD2 LYS 47 + HE3 LYS 47 OK 52 57 100 92 2.2-3.0 3.0=76, 2174/3.8=6...(54) HD3 LYS 47 + HE2 LYS 47 OK 52 56 100 92 2.2-3.0 3.0=76, 2174/3.8=6...(54) HD3 LYS 47 + HE3 LYS 47 OK 52 56 100 92 2.3-3.0 3.0=76, 2174/3.8=6...(54) HD3 LYS 13 + HE2 LYS 13 OK 51 54 100 95 2.3-3.0 2.9=78, 3.0/576=9...(56) HD2 LYS 12 + HE3 LYS 12 OK 46 51 100 92 2.3-3.0 3.0=75, ~463=16, ~423=13...(36) HD3 LYS 12 + HE3 LYS 12 OK 46 51 100 92 2.2-3.0 3.0=75, ~463=16, ~423=13...(36) HD2 LYS 39 - HE2 LYS 73 far 15 98 15 - 2.5-10.1 HD3 LYS 39 - HE3 LYS 73 far 4 87 5 - 3.2-10.4 HD3 LYS 39 - HE2 LYS 73 far 4 86 5 - 3.4-10.1 HB3 ARG 91 - HE3 LYS 90 far 0 90 0 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 77 0 - 4.0-7.7 HD2 LYS 39 - HE3 LYS 73 far 0 99 0 - 4.0-10.2 HG3 LYS 20 - HE3 LYS 24 far 0 88 0 - 4.3-11.4 HB3 ARG 91 - HE2 LYS 94 far 0 60 0 - 4.4-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 88 0 - 4.5-11.2 HD3 LYS 20 - HE3 LYS 90 far 0 96 0 - 4.5-12.2 HD3 LYS 13 - HE3 LYS 12 far 0 47 0 - 4.6-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 88 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 96 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 60 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 70 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 72 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 51 0 - 5.4-12.0 HG12 ILE 15 - HE3 LYS 12 far 0 62 0 - 5.6-9.2 HG LEU 70 - HE3 LYS 73 far 0 71 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 5.8-13.6 HG2 PRO 86 - HE3 LYS 13 far 0 75 0 - 6.1-10.4 HD2 LYS 20 - HE3 LYS 24 far 0 86 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 94 0 - 6.2-12.3 HD3 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.3-12.1 HD2 LYS 12 - HE2 LYS 13 far 0 58 0 - 6.4-11.7 HB ILE 52 - HE2 LYS 47 far 0 62 0 - 6.5-11.4 HD2 LYS 20 - HE2 LYS 24 far 0 86 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 60 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 58 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 6.6-14.0 HD3 LYS 90 - HE2 LYS 94 far 0 44 0 - 6.7-11.2 HD2 LYS 20 - HE2 LYS 13 far 0 89 0 - 6.7-13.3 HD2 LYS 24 - HE2 LYS 94 far 0 45 0 - 6.8-12.7 HD3 LYS 24 - HE2 LYS 94 far 0 44 0 - 7.2-12.9 HB2 LEU 2 - HE3 LYS 47 far 0 34 0 - 7.2-14.2 HB ILE 52 - HE3 LYS 47 far 0 62 0 - 7.2-11.8 HD3 LYS 66 - HE3 LYS 73 far 0 65 0 - 7.3-13.2 HB2 LEU 2 - HE2 LYS 47 far 0 34 0 - 7.4-14.4 HD3 LYS 13 - HE3 LYS 90 far 0 59 0 - 7.5-15.1 HD3 LYS 20 - HE3 LYS 13 far 0 94 0 - 7.6-13.3 HD2 LYS 13 - HE3 LYS 90 far 0 63 0 - 7.9-14.0 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 8.0-13.0 HG12 ILE 15 - HE3 LYS 90 far 0 75 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 82 0 - 8.1-13.8 HD2 LYS 20 - HE3 LYS 12 far 0 81 0 - 8.2-15.0 HG3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-15.0 HD3 LYS 24 - HE3 LYS 90 far 0 70 0 - 8.6-13.4 HG2 LYS 68 - HE2 LYS 73 far 0 87 0 - 8.9-13.5 HD3 LYS 90 - HE2 LYS 13 far 0 65 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 62 0 - 9.0-13.9 HB ILE 76 - HE3 LYS 73 far 0 91 0 - 9.2-13.0 HB ILE 76 - HE2 LYS 73 far 0 89 0 - 9.3-12.8 HG3 LYS 20 - HE2 LYS 94 far 0 66 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 72 0 - 9.7-13.7 HD2 LYS 68 - HE3 LYS 73 far 0 98 0 - 9.8-14.9 HG3 LYS 20 - HE3 LYS 12 far 0 82 0 - 9.9-15.3 HG2 LYS 68 - HE3 LYS 73 far 0 88 0 - 9.9-13.9 HG3 LYS 20 - HE3 LYS 13 far 0 94 0 - 10.0-14.9 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 2 assignments used, quality = 1.00: * H MET 74 + HA MET 74 OK 100 100 100 100 2.9-2.9 3.0=100 H VAL 78 - HA MET 74 far 0 99 0 - 9.6-11.1 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 2.4-3.0 3.0=100 HB3 GLU 43 - HA MET 74 far 0 100 0 - 8.5-10.4 HB3 LEU 38 - HA MET 74 far 0 99 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (1.96, 4.40, 55.19 ppm; 3.78 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + HA MET 74 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 73 + HA MET 74 OK 72 100 75 96 4.1-5.0 3.0/10859=46...(20) QE MET 74 + HA MET 74 OK 56 59 100 95 3.9-4.5 3.4/3330=53, 5.3=35...(15) HB2 LYS 73 - HA MET 74 far 15 100 15 - 4.5-5.7 HB3 ARG 46 - HA MET 74 far 0 100 0 - 5.9-8.6 HB2 ARG 46 - HA MET 74 far 0 98 0 - 6.6-8.7 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 2.6-3.5 3351=81, 7228/3.0=58...(18) HG3 GLN 72 - HA MET 74 far 0 99 0 - 8.4-9.6 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 2.2-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3332 from cnoeabs.peaks (2.00, 4.40, 55.19 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * QE MET 74 + HA MET 74 OK 100 100 100 100 3.9-4.5 3367=79, 3.4/3330=59...(16) HB3 MET 74 + HA MET 74 OK 59 59 100 100 2.4-3.0 3.0=100 HB2 ARG 46 - HA MET 74 far 0 82 0 - 6.6-8.7 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 3.1-3.4 3.6=100 H LYS 39 - HA MET 74 far 0 100 0 - 9.6-11.0 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 2.4-3.7 4.0=100 H VAL 78 - HB2 MET 74 far 0 99 0 - 7.0-10.1 H SER 49 - HB2 MET 74 far 0 91 0 - 8.8-11.3 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 2 assignments used, quality = 1.00: * HA MET 74 + HB2 MET 74 OK 100 100 100 100 2.4-3.0 3.0=100 HA ILE 76 + HB2 MET 74 OK 55 85 65 99 4.8-6.2 3.0/9645=70, 3.8/9664=50...(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): 2 out of 7 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 52 59 100 88 2.0-3.8 4.2=62, 3367/3.0=21...(11) HB3 ARG 46 - HB2 MET 74 far 10 100 10 - 4.1-7.5 HB2 LYS 73 - HB2 MET 74 far 0 100 0 - 4.6-7.3 HB2 ARG 46 - HB2 MET 74 far 0 98 0 - 4.7-7.7 HB3 LYS 73 - HB2 MET 74 far 0 100 0 - 5.5-6.9 HB2 GLU 44 - HB2 MET 74 far 0 61 0 - 9.4-11.1 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 2.3-3.0 2.9=100 HG3 GLN 72 - HB2 MET 74 far 0 99 0 - 7.5-10.2 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 - 8.8-10.5 HB3 TYR 41 - HB2 MET 74 far 0 96 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (2.00, 2.06, 33.37 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.99: * QE MET 74 + HB2 MET 74 OK 97 100 100 97 2.0-3.8 4.2=74, 3367/3.0=48...(12) HB3 MET 74 + HB2 MET 74 OK 59 59 100 100 1.8-1.8 1.8=100 HB2 ARG 46 - HB2 MET 74 far 0 82 0 - 4.7-7.7 HB2 GLU 44 - HB2 MET 74 far 0 100 0 - 9.4-11.1 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 3.4-4.4 4.3=100 H LYS 39 - HB2 MET 74 far 0 100 0 - 8.4-9.5 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 2.4-3.6 4.0=100 H VAL 78 - HB3 MET 74 far 0 99 0 - 7.2-10.1 H SER 49 - HB3 MET 74 far 0 91 0 - 9.1-11.6 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 2 assignments used, quality = 1.00: * HA MET 74 + HB3 MET 74 OK 100 100 100 100 2.4-3.0 3.0=100 HA ILE 76 + HB3 MET 74 OK 85 85 100 100 4.8-5.7 3.0/9644=80, 3.0/9659=67...(11) 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 3 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 - 7.2-9.0 HB3 LEU 38 - HB3 MET 74 far 0 99 0 - 7.9-11.6 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 2.2-3.0 2.9=100 HG3 GLN 72 - HB3 MET 74 far 0 99 0 - 7.2-9.9 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 - 8.5-10.2 HB3 TYR 41 - HB3 MET 74 far 0 96 0 - 9.2-11.0 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 3.3-4.3 4.3=100 H LYS 39 - HB3 MET 74 far 0 100 0 - 7.7-9.5 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 2 assignments used, quality = 1.00: * H MET 74 + HG2 MET 74 OK 100 100 100 100 1.9-3.2 7228=100, 7229/1.8=85...(20) H VAL 78 - HG2 MET 74 far 0 99 0 - 8.6-11.0 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 2.6-3.5 3330=100, 3.0/7228=65...(18) HA ILE 76 - HG2 MET 74 far 0 85 0 - 7.3-8.0 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 2.3-3.0 2.9=100 HB3 LEU 38 - HG2 MET 74 far 0 99 0 - 7.1-10.4 HB3 GLU 43 - HG2 MET 74 far 0 100 0 - 7.6-9.5 HB3 GLU 35 - HG2 MET 74 far 0 94 0 - 8.7-11.6 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 6 assignments used, quality = 1.00: * HB3 MET 74 + HG2 MET 74 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 73 + HG2 MET 74 OK 91 100 100 91 3.3-4.6 4.6/7228=37, 12187=23...(14) HB2 LYS 73 + HG2 MET 74 OK 75 100 85 88 3.0-4.8 4.6/7228=37, 12187=23...(12) QE MET 74 + HG2 MET 74 OK 59 59 100 100 2.4-3.4 3.4=100 HB3 ARG 46 - HG2 MET 74 far 0 100 0 - 6.8-9.3 HB2 ARG 46 - HG2 MET 74 far 0 98 0 - 7.5-9.7 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 2 assignments used, quality = 1.00: * HG3 MET 74 + HG2 MET 74 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 41 - HG2 MET 74 far 0 96 0 - 9.4-12.0 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 4 assignments used, quality = 1.00: * QE MET 74 + HG2 MET 74 OK 100 100 100 100 2.4-3.4 3.4=100 HB3 MET 74 + HG2 MET 74 OK 59 59 100 100 2.2-3.0 2.9=100 HB2 ARG 46 - HG2 MET 74 far 0 82 0 - 7.5-9.7 HB2 GLU 35 - HG2 MET 74 far 0 100 0 - 8.3-11.9 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 4.2-5.1 4.8=100 H LYS 39 + HG2 MET 74 OK 25 100 25 100 6.1-8.4 3373/3.4=94...(10) 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 4 assignments used, quality = 1.00: * H MET 74 + HG3 MET 74 OK 100 100 100 100 2.9-3.8 7229=100, 7228/1.8=79...(21) H ASN 60 + HB VAL 58 OK 59 59 100 100 2.3-3.0 9410=67, 9422/3.0=49...(18) H LEU 64 + HB VAL 58 OK 44 45 100 98 3.3-4.3 ~9475=36, ~9388=34...(16) H VAL 78 - HG3 MET 74 far 0 99 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 3359 from cnoeabs.peaks (4.40, 2.62, 33.04 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 74 + HG3 MET 74 OK 100 100 100 100 2.2-3.9 4.0=100 HA ASP 61 - HB VAL 58 far 0 33 0 - 5.6-6.5 HA SER 9 - HB VAL 58 far 0 49 0 - 5.7-6.9 HA ILE 76 - HG3 MET 74 far 0 85 0 - 6.9-8.2 HB THR 84 - HB VAL 58 far 0 35 0 - 9.1-11.5 HA VAL 32 - HB VAL 58 far 0 64 0 - 10.0-11.4 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 7 assignments used, quality = 1.00: * HB2 MET 74 + HG3 MET 74 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 38 - HG3 MET 74 far 0 99 0 - 6.2-11.8 HB3 GLU 43 - HG3 MET 74 far 0 100 0 - 6.4-8.5 HB3 GLU 62 - HB VAL 58 far 0 49 0 - 6.8-8.6 HB3 GLU 35 - HG3 MET 74 far 0 94 0 - 8.3-13.0 HB3 GLU 35 - HB VAL 58 far 0 57 0 - 8.3-11.7 HB3 LEU 38 - HB VAL 58 far 0 63 0 - 8.7-11.0 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 8 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 2.0-3.4 3.4=100 HB2 LYS 73 + HG3 MET 74 OK 26 100 30 86 4.2-6.3 4.6/7229=35...(13) HB3 LYS 73 - HG3 MET 74 far 15 100 15 - 3.7-6.1 HB3 ARG 46 - HG3 MET 74 far 0 100 0 - 5.5-8.8 HB2 ARG 46 - HG3 MET 74 far 0 98 0 - 6.7-9.0 HB VAL 32 - HB VAL 58 far 0 53 0 - 7.1-8.5 HB2 GLU 44 - HG3 MET 74 far 0 61 0 - 9.1-12.3 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 34 62 60 91 3.1-4.6 3.0/10233=21...(22) HB2 ASP 61 - HB VAL 58 far 0 57 0 - 7.9-8.6 HG3 GLN 72 - HG3 MET 74 far 0 99 0 - 8.1-10.5 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 2.0-3.4 3.4=100 HB3 MET 74 + HG3 MET 74 OK 59 59 100 100 2.2-3.0 2.9=100 HB2 GLU 62 - HB VAL 58 far 0 61 0 - 6.6-7.7 HB2 ARG 46 - HG3 MET 74 far 0 82 0 - 6.7-9.0 HB2 GLU 44 - HG3 MET 74 far 0 100 0 - 9.1-12.3 HB2 GLU 35 - HG3 MET 74 far 0 100 0 - 9.7-12.8 HB2 GLU 35 - HB VAL 58 far 0 65 0 - 10.0-12.4 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 4.8-5.4 4.8=100 H LYS 39 + HG3 MET 74 OK 35 100 35 99 6.1-9.2 3373/3.4=86, ~9609=60...(9) 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 3.9-4.9 7228/3.4=75, 7229/3.4=74...(17) H GLU 37 - QE MET 74 far 0 100 0 - 7.7-8.6 H VAL 78 - QE MET 74 far 0 99 0 - 8.3-9.6 H SER 49 - QE MET 74 far 0 91 0 - 8.4-10.4 Violated in 16 structures by 0.13 A. Peak 3367 from cnoeabs.peaks (4.40, 2.00, 17.28 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 74 + QE MET 74 OK 100 100 100 100 3.9-4.5 3330/3.4=67, 3332=63...(16) HA ILE 76 - QE MET 74 far 0 85 0 - 5.8-7.9 HA VAL 32 - QE MET 74 far 0 99 0 - 9.7-11.0 Violated in 14 structures by 0.07 A. Peak 3368 from cnoeabs.peaks (2.06, 2.00, 17.28 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.98: * HB2 MET 74 + QE MET 74 OK 94 100 100 94 2.0-3.8 4.2=60, 3.0/3367=42...(12) HB3 GLU 43 + QE MET 74 OK 69 100 75 92 3.6-4.7 3.0/10280=53...(6) HB3 LEU 38 - QE MET 74 far 0 99 0 - 5.2-7.4 HB3 GLU 35 - QE MET 74 far 0 94 0 - 7.2-9.7 HB3 GLU 48 - QE MET 74 far 0 96 0 - 9.8-11.4 Violated in 1 structures by 0.00 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 2.4-3.4 3.4=100 HB3 ASP 36 - QE MET 74 far 0 91 0 - 7.8-9.5 HB2 ASP 36 - QE MET 74 far 0 90 0 - 7.9-9.6 HG3 GLN 72 - QE MET 74 far 0 99 0 - 8.4-10.2 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 2.0-3.4 3.4=100 HB3 TYR 41 - QE MET 74 far 0 96 0 - 5.9-7.0 HB3 ASP 77 - QE MET 74 far 0 98 0 - 9.0-11.3 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): 1 out of 2 assignments used, quality = 0.99: H LYS 39 + QE MET 74 OK 99 100 100 100 4.4-5.1 3.0/9609=80...(16) ! H GLU 75 - QE MET 74 far 15 100 15 - 5.3-6.4 Violated in 14 structures by 0.15 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 5 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 100 100 2.4-2.8 2.9=100 HG2 GLU 75 + HA GLU 75 OK 51 63 100 80 2.3-3.7 4.0=39, 1.8/3403=25...(14) HG3 GLU 75 + HA GLU 75 OK 47 59 100 79 2.6-3.8 4.0=39, 1.8/3403=25...(14) HB2 GLN 72 - HA GLU 75 far 0 81 0 - 4.7-6.1 HB3 GLU 69 - HA GLU 75 far 0 99 0 - 9.9-10.7 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 4 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 100 100 2.9-3.0 2.9=100 HG3 GLU 75 + HA GLU 75 OK 84 96 100 87 2.6-3.8 4.0=44, 1.8/3403=27...(16) HG2 GLU 75 + HA GLU 75 OK 83 95 100 88 2.3-3.7 4.0=44, 1.8/3403=27...(16) HB2 GLN 72 - HA GLU 75 far 0 84 0 - 4.7-6.1 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 5 assignments used, quality = 1.00: HB3 GLU 75 + HA GLU 75 OK 93 95 100 99 2.9-3.0 2.9=95, 4.1/7248=27...(14) * HG2 GLU 75 + HA GLU 75 OK 83 100 100 83 2.3-3.7 4.0=36, 1.8/3403=23...(17) HG3 GLU 75 + HA GLU 75 OK 78 100 95 82 2.6-3.8 4.0=36, 1.8/3403=23...(17) HB2 GLU 75 + HA GLU 75 OK 62 63 100 98 2.4-2.8 2.9=95, 4.1/7248=27...(13) HB2 GLN 72 - HA GLU 75 far 0 99 0 - 4.7-6.1 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 5 assignments used, quality = 1.00: HB3 GLU 75 + HA GLU 75 OK 95 96 100 99 2.9-3.0 2.9=95, 4.1/7248=27...(14) HG2 GLU 75 + HA GLU 75 OK 83 100 100 83 2.3-3.7 4.0=36, 1.8/3403=23...(17) * HG3 GLU 75 + HA GLU 75 OK 78 100 95 82 2.6-3.8 4.0=36, 1.8/3403=23...(17) HB2 GLU 75 + HA GLU 75 OK 58 59 100 98 2.4-2.8 2.9=95, 4.1/7248=27...(13) HB2 GLN 72 - HA GLU 75 far 0 99 0 - 4.7-6.1 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 2.5-3.1 7248=100, 7247/2.9=53...(14) 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 3.1-4.0 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 2.4-2.8 2.9=100 HA LEU 70 - HB2 GLU 75 far 0 93 0 - 9.4-11.1 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 5 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 2.3-3.0 3.0=59, 3403/2.9=12...(12) HG2 GLU 75 + HB2 GLU 75 OK 74 95 100 78 2.4-3.0 3.0=59, 3403/2.9=12...(12) HB2 GLN 72 - HB2 GLU 75 far 0 84 0 - 6.8-8.4 HG2 GLU 43 - HB2 GLU 75 far 0 100 0 - 9.6-13.2 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 4.2-4.5 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 3.5-4.0 4.0=100 H LYS 90 - HG3 PRO 86 far 0 66 0 - 6.0-7.7 H GLU 17 - HG3 PRO 86 far 0 87 0 - 6.4-8.8 H LYS 13 - HG3 PRO 86 far 0 92 0 - 6.8-10.0 H ILE 15 - HG3 PRO 86 far 0 92 0 - 6.9-9.3 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 5 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 100 100 2.9-3.0 2.9=100 HD2 PRO 86 + HG3 PRO 86 OK 75 75 100 100 2.3-2.7 2.3=100 HD3 PRO 86 + HG3 PRO 86 OK 74 74 100 100 2.3-3.0 2.3=100 HB3 SER 59 - HG3 PRO 86 far 0 55 0 - 9.1-12.3 HA LEU 70 - HB3 GLU 75 far 0 93 0 - 9.4-10.4 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 10 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 2.3-3.0 2.3=100 HB3 PRO 86 + HG3 PRO 86 OK 64 64 100 100 2.3-3.0 2.3=100 HG2 GLU 75 + HB3 GLU 75 OK 45 63 100 72 2.2-3.0 3.0=52, ~3384=8...(11) HG3 GLU 75 + HB3 GLU 75 OK 42 59 100 71 2.2-3.0 3.0=52, ~3384=8...(11) HG2 GLU 88 - HG3 PRO 86 far 0 91 0 - 6.5-9.4 HB2 GLN 72 - HB3 GLU 75 far 0 81 0 - 7.5-8.8 HB3 GLU 16 - HG3 PRO 86 far 0 66 0 - 7.5-12.3 HB VAL 83 - HG3 PRO 86 far 0 76 0 - 7.6-8.7 QE MET 21 - HG3 PRO 86 far 0 53 0 - 9.8-12.4 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 3.8-4.4 4.1=100 H GLU 88 + HG3 PRO 86 OK 70 89 80 99 4.7-6.2 7386/7380=75...(11) H LEU 14 + HG3 PRO 86 OK 22 90 25 99 4.9-7.7 3.0/9890=56, ~9887=54...(15) Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.28 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 75 + HG2 GLU 75 OK 99 100 100 99 2.6-4.2 5.0=61, 2.9/3403=37...(16) H GLU 75 + HG3 GLU 75 OK 99 100 100 99 2.5-4.1 5.0=61, 2.9/3403=37...(16) H LYS 39 + HG3 GLU 35 OK 34 48 80 90 3.6-6.8 6597/4.1=24, 8954=24...(13) H LYS 39 - HG2 GLU 35 poor 19 48 45 88 3.9-6.5 8954/1.8=38, 6597/4.1=24...(12) H LYS 39 - HG2 GLU 43 far 0 45 0 - 6.0-7.6 H GLU 75 - HG2 GLU 43 far 0 46 0 - 8.7-11.1 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 11 assignments used, quality = 1.00: * HA GLU 75 + HG2 GLU 75 OK 98 100 100 98 2.3-3.7 4.0=76, 3377/1.8=28...(18) HA GLU 75 + HG3 GLU 75 OK 98 100 100 98 2.6-3.8 4.0=76, 3377/1.8=28...(19) HA LEU 70 - HG3 GLU 35 far 0 41 0 - 5.8-9.5 HA LEU 70 - HG2 GLU 35 far 0 41 0 - 6.0-9.4 HA LEU 70 - HG2 GLU 75 far 0 93 0 - 8.2-10.9 HA LEU 70 - HG3 GLU 75 far 0 93 0 - 8.3-10.4 HA LEU 70 - HG2 GLU 43 far 0 39 0 - 8.4-10.5 HA GLU 69 - HG2 GLU 75 far 0 100 0 - 8.8-11.0 HA GLU 69 - HG3 GLU 75 far 0 100 0 - 9.3-11.0 HA GLU 69 - HG2 GLU 35 far 0 48 0 - 9.4-13.3 HA GLU 69 - HG3 GLU 35 far 0 48 0 - 9.6-13.2 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): 2 out of 6 assignments used, quality = 0.98: * H ILE 76 + HG2 GLU 75 OK 93 100 95 98 4.6-5.7 7248/4.0=64, 7249/3.0=49...(12) H ILE 76 + HG3 GLU 75 OK 69 100 70 98 4.5-5.5 7248/4.0=64, 7249/3.0=49...(12) H LEU 38 - HG2 GLU 35 far 3 33 10 - 4.9-7.2 H LEU 38 - HG3 GLU 35 far 3 33 10 - 5.0-6.4 H ILE 76 - HG2 GLU 43 far 0 46 0 - 8.4-10.7 H LEU 38 - HG2 GLU 43 far 0 31 0 - 8.5-9.9 Violated in 14 structures by 0.08 A. Peak 3402 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.12 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 75 + HG3 GLU 75 OK 98 100 100 98 2.5-4.1 5.0=55, 2.9/3403=35...(16) H GLU 75 + HG2 GLU 75 OK 98 100 100 98 2.6-4.2 5.0=55, 2.9/3403=35...(16) H LYS 39 + HG3 GLU 35 OK 32 52 70 88 3.6-6.8 8954=24, 6597/4.1=23...(13) H LYS 39 - HG2 GLU 35 poor 18 52 35 - 3.9-6.5 H LYS 39 - HG2 GLU 43 far 0 48 0 - 6.0-7.6 H GLU 75 - HG2 GLU 43 far 0 49 0 - 8.7-11.1 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 11 assignments used, quality = 1.00: HA GLU 75 + HG2 GLU 75 OK 97 100 100 97 2.3-3.7 4.0=70, 3377/1.8=27...(18) * HA GLU 75 + HG3 GLU 75 OK 97 100 100 97 2.6-3.8 4.0=70, 3377/1.8=27...(19) HA LEU 70 - HG3 GLU 35 far 0 45 0 - 5.8-9.5 HA LEU 70 - HG2 GLU 35 far 0 45 0 - 6.0-9.4 HA LEU 70 - HG2 GLU 75 far 0 93 0 - 8.2-10.9 HA LEU 70 - HG3 GLU 75 far 0 93 0 - 8.3-10.4 HA LEU 70 - HG2 GLU 43 far 0 41 0 - 8.4-10.5 HA GLU 69 - HG2 GLU 75 far 0 100 0 - 8.8-11.0 HA GLU 69 - HG3 GLU 75 far 0 100 0 - 9.3-11.0 HA GLU 69 - HG2 GLU 35 far 0 52 0 - 9.4-13.3 HA GLU 69 - HG3 GLU 35 far 0 52 0 - 9.6-13.2 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): 3 out of 6 assignments used, quality = 1.00: * H ILE 76 + HG3 GLU 75 OK 99 100 100 99 4.5-5.5 7248/4.0=74, 7247/5.0=55...(12) H ILE 76 + HG2 GLU 75 OK 94 100 95 99 4.6-5.7 7248/4.0=74, 7247/5.0=55...(12) H LEU 38 + HG3 GLU 35 OK 23 35 75 86 5.0-6.4 12057/4.1=37...(9) H LEU 38 - HG2 GLU 35 poor 11 35 30 - 4.9-7.2 H ILE 76 - HG2 GLU 43 far 0 49 0 - 8.4-10.7 H LEU 38 - HG2 GLU 43 far 0 32 0 - 8.5-9.9 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 - 7.5-8.3 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 5 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 - 6.1-8.8 HD2 LYS 73 - HA ILE 76 far 0 88 0 - 9.3-12.6 HG3 LYS 47 - HA ILE 76 far 0 90 0 - 9.4-11.7 HD3 LYS 73 - HA ILE 76 far 0 91 0 - 9.7-13.0 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 8 assignments used, quality = 1.00: * QG2 ILE 76 + HA ILE 76 OK 100 100 100 100 2.1-2.4 3.2=100 HG13 ILE 7 - HA SER 9 far 0 85 0 - 5.2-5.5 HG13 ILE 8 - HA SER 9 far 0 87 0 - 6.5-6.7 QG1 VAL 32 - HA SER 9 far 0 70 0 - 6.6-7.6 QD1 LEU 38 - HA SER 9 far 0 72 0 - 8.1-11.8 QD1 LEU 103 - HA ILE 76 far 0 93 0 - 8.4-18.3 QD1 LEU 38 - HA ILE 76 far 0 88 0 - 8.6-12.0 QD1 LEU 2 - HA ILE 76 far 0 100 0 - 9.0-11.8 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 2.5-3.3 3.8=100 HG2 LYS 82 - HA SER 9 far 0 67 0 - 7.5-9.8 Violated in 0 structures by 0.00 A. Peak 3414 from cnoeabs.peaks (1.44, 4.43, 58.48 ppm; 4.35 A): 1 out of 10 assignments used, quality = 1.00: * HG13 ILE 76 + HA ILE 76 OK 100 100 100 100 2.5-3.2 3.8=100 QB ALA 71 - HA ILE 76 far 13 84 15 - 4.9-6.5 HG12 ILE 7 - HA SER 9 far 0 83 0 - 6.1-7.0 HG13 ILE 52 - HA ILE 76 far 0 91 0 - 7.1-9.3 HG2 LYS 53 - HA ILE 76 far 0 82 0 - 8.0-9.2 HG3 LYS 53 - HA ILE 76 far 0 73 0 - 8.2-10.8 HG2 LYS 12 - HA SER 9 far 0 85 0 - 8.4-10.7 HD2 LYS 82 - HA SER 9 far 0 72 0 - 8.5-10.6 HD2 LYS 53 - HA ILE 76 far 0 88 0 - 8.9-11.6 HG3 LYS 39 - HA ILE 76 far 0 100 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (0.80, 4.43, 58.48 ppm; 3.67 A): 2 out of 16 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...(17) QG2 ILE 8 + HA SER 9 OK 78 82 100 96 3.4-3.6 304/2.9=50, ~6103=27...(16) QG2 ILE 52 - HA ILE 76 poor 17 90 35 53 4.0-5.4 3431/3.2=19, 9163=12...(7) QD2 LEU 42 - HA ILE 76 far 0 70 0 - 5.0-6.1 QG2 ILE 7 - HA SER 9 far 0 88 0 - 5.5-5.8 QG2 ILE 15 - HA SER 9 far 0 85 0 - 7.2-7.9 QD2 LEU 103 - HA ILE 76 far 0 84 0 - 7.5-17.4 QG2 VAL 32 - HA SER 9 far 0 60 0 - 7.8-8.7 QG1 VAL 54 - HA ILE 76 far 0 59 0 - 7.8-8.8 QD2 LEU 38 - HA SER 9 far 0 73 0 - 7.9-9.7 QD1 LEU 57 - HA SER 9 far 0 66 0 - 8.1-9.5 QD2 LEU 2 - HA ILE 76 far 0 99 0 - 8.1-10.0 QD2 LEU 57 - HA SER 9 far 0 87 0 - 8.8-9.5 QD1 LEU 6 - HA ILE 76 far 0 77 0 - 9.0-10.0 QD2 LEU 70 - HA ILE 76 far 0 100 0 - 9.6-10.8 QD1 LEU 70 - HA ILE 76 far 0 96 0 - 9.7-11.4 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 2.2-2.3 7262=100, 7264/3.2=42...(12) 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 2.5-2.9 7254=100, 7255/2.1=70...(16) 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 4 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 - 5.7-6.4 HA GLU 48 - HB ILE 76 far 0 100 0 - 9.8-12.4 HA GLN 50 - HB ILE 76 far 0 77 0 - 9.9-12.3 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 - 6.1-9.5 QD1 LEU 2 - HB ILE 76 far 0 100 0 - 8.8-12.5 QD1 LEU 103 - HB ILE 76 far 0 93 0 - 9.2-19.3 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 2.4-3.0 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 2.4-3.0 3.0=100 QB ALA 71 + HB ILE 76 OK 64 84 80 96 2.5-4.7 10834=53, 2.1/9648=38...(20) HG13 ILE 52 - HB ILE 76 far 0 91 0 - 7.0-9.8 HG3 LYS 39 - HB ILE 76 far 0 100 0 - 7.4-10.3 HB2 LEU 38 - HB ILE 76 far 0 93 0 - 8.4-11.7 HG2 LYS 53 - HB ILE 76 far 0 82 0 - 8.4-10.1 HG3 LYS 53 - HB ILE 76 far 0 73 0 - 9.0-11.7 HD2 LYS 53 - HB ILE 76 far 0 88 0 - 9.1-12.6 HG LEU 38 - HB ILE 76 far 0 88 0 - 9.3-11.9 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 68 70 100 98 2.5-3.5 12083/3.0=34...(27) QG2 ILE 52 - HB ILE 76 far 4 90 5 - 4.3-6.4 QG1 VAL 54 - HB ILE 76 far 0 59 0 - 5.9-7.2 QD1 LEU 6 - HB ILE 76 far 0 77 0 - 6.7-7.6 QD2 LEU 70 - HB ILE 76 far 0 100 0 - 7.4-8.9 QD1 LEU 70 - HB ILE 76 far 0 96 0 - 7.5-9.2 QD2 LEU 38 - HB ILE 76 far 0 90 0 - 8.2-10.4 QD2 LEU 2 - HB ILE 76 far 0 99 0 - 8.7-10.8 QD2 LEU 103 - HB ILE 76 far 0 84 0 - 9.2-17.8 QG2 VAL 32 - HB ILE 76 far 0 75 0 - 9.8-10.6 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 3.5-4.0 7263=100, 7264/2.1=76...(15) 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 2 assignments used, quality = 1.00: * H ILE 76 + QG2 ILE 76 OK 100 100 100 100 3.8-4.0 7255=100, 7254/2.1=80...(16) H LEU 38 - QG2 ILE 76 far 0 79 0 - 10.0-11.5 Violated in 1 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 2.1-2.4 3.2=100 HA MET 74 - QG2 ILE 76 far 0 85 0 - 6.3-6.7 HA GLN 50 - QG2 ILE 76 far 0 77 0 - 6.3-8.5 HA GLU 48 - QG2 ILE 76 far 0 100 0 - 6.4-8.4 HA LEU 2 - QG2 ILE 76 far 0 68 0 - 9.7-11.2 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 16 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 - 3.6-6.1 HG3 LYS 47 - QG2 ILE 76 far 0 90 0 - 6.3-8.6 HD3 LYS 47 - QG2 ILE 76 far 0 63 0 - 7.7-9.6 HD2 LYS 47 - QG2 ILE 76 far 0 65 0 - 7.9-9.8 HB3 LEU 6 - QG2 ILE 76 far 0 100 0 - 8.0-10.4 HD3 LYS 39 - QG2 ILE 76 far 0 100 0 - 8.0-10.7 HB3 ARG 79 - QG2 ILE 76 far 0 99 0 - 8.1-9.7 HD2 LYS 73 - QG2 ILE 76 far 0 88 0 - 8.2-11.0 HD2 LYS 39 - QG2 ILE 76 far 0 99 0 - 8.3-11.2 HD3 LYS 73 - QG2 ILE 76 far 0 91 0 - 8.9-11.6 HD3 LYS 68 - QG2 ILE 76 far 0 100 0 - 9.0-13.6 HD2 LYS 68 - QG2 ILE 76 far 0 99 0 - 9.1-13.9 HG2 LYS 68 - QG2 ILE 76 far 0 100 0 - 9.3-12.6 HB2 LYS 40 - QG2 ILE 76 far 0 100 0 - 9.7-11.3 HB3 LYS 40 - QG2 ILE 76 far 0 59 0 - 9.7-11.4 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 2.3-3.2 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): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + QG2 ILE 76 OK 100 100 100 100 2.3-3.2 3.2=100 QB ALA 71 + QG2 ILE 76 OK 53 84 65 98 3.0-5.3 10834/2.1=43...(22) HG13 ILE 52 - QG2 ILE 76 far 14 91 15 - 4.1-6.2 HG2 LYS 53 - QG2 ILE 76 far 0 82 0 - 5.7-7.0 HG3 LYS 53 - QG2 ILE 76 far 0 73 0 - 6.1-8.1 HD2 LYS 53 - QG2 ILE 76 far 0 88 0 - 6.7-9.1 HG3 LYS 39 - QG2 ILE 76 far 0 100 0 - 7.3-9.9 HB2 LEU 38 - QG2 ILE 76 far 0 93 0 - 7.6-11.1 HG LEU 38 - QG2 ILE 76 far 0 88 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 3431 from cnoeabs.peaks (0.80, 0.88, 17.57 ppm; 3.01 A): 3 out of 14 assignments used, quality = 1.00: * QD1 ILE 76 + QG2 ILE 76 OK 99 100 100 99 1.9-2.1 3452=92, 9639/9025=24...(21) QG2 ILE 52 + QG2 ILE 76 OK 71 90 100 80 2.2-3.6 302=22, 3.1/10877=18...(21) QD2 LEU 42 + QG2 ILE 76 OK 64 70 100 92 2.1-3.6 3.1/10883=23...(29) QG1 VAL 54 - QG2 ILE 76 far 0 59 0 - 4.6-5.5 QD1 LEU 6 - QG2 ILE 76 far 0 77 0 - 5.4-6.8 QD2 LEU 2 - QG2 ILE 76 far 0 99 0 - 5.6-7.4 QD2 LEU 103 - QG2 ILE 76 far 0 84 0 - 6.9-14.4 QD2 LEU 38 - QG2 ILE 76 far 0 90 0 - 7.2-9.6 QD1 LEU 70 - QG2 ILE 76 far 0 96 0 - 7.4-9.1 QD2 LEU 70 - QG2 ILE 76 far 0 100 0 - 7.5-8.9 QG2 VAL 32 - QG2 ILE 76 far 0 75 0 - 8.3-9.4 QD2 LEU 57 - QG2 ILE 76 far 0 100 0 - 9.4-10.2 QD1 LEU 27 - QG2 ILE 76 far 0 73 0 - 9.8-10.7 QD1 LEU 57 - QG2 ILE 76 far 0 82 0 - 9.9-12.2 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 1.9-2.5 7264=100, 7263/2.1=67...(19) H VAL 5 - QG2 ILE 76 far 0 79 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (7.56, 1.09, 26.75 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.0-3.6 7256=100, 7254/3.0=62...(18) H GLU 88 - HG2 ARG 91 far 5 93 5 - 4.2-8.4 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 5 assignments used, quality = 1.00: * HA ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.5-3.3 3.8=100 HA MET 74 + HG12 ILE 76 OK 72 85 85 100 3.8-5.7 3.0/9664=53...(24) HA MET 21 - HG2 ARG 91 far 0 88 0 - 8.0-11.6 HA GLU 48 - HG12 ILE 76 far 0 100 0 - 9.1-12.0 HA GLN 50 - HG12 ILE 76 far 0 77 0 - 9.5-12.2 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 11 assignments used, quality = 1.00: * HB ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 91 + HG2 ARG 91 OK 55 55 100 100 2.3-3.0 2.8=100 HD2 LYS 94 - HG2 ARG 91 poor 17 85 20 - 3.0-8.0 HB ILE 52 - HG12 ILE 76 far 0 84 0 - 7.0-10.7 HD3 LYS 39 - HG12 ILE 76 far 0 100 0 - 7.3-11.5 HD2 LYS 39 - HG12 ILE 76 far 0 99 0 - 7.3-11.3 HD3 LYS 73 - HG12 ILE 76 far 0 91 0 - 8.1-12.1 HG3 LYS 47 - HG12 ILE 76 far 0 90 0 - 8.1-10.8 HD2 LYS 73 - HG12 ILE 76 far 0 88 0 - 8.3-11.4 HG3 LYS 20 - HG2 ARG 91 far 0 70 0 - 9.2-17.2 HD2 LYS 47 - HG12 ILE 76 far 0 65 0 - 9.5-13.1 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 3 assignments used, quality = 1.00: * QG2 ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 38 - HG12 ILE 76 far 0 88 0 - 6.9-10.3 QD1 LEU 2 - HG12 ILE 76 far 0 100 0 - 8.8-13.3 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 9 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 0 84 0 - 4.0-7.1 HG3 LYS 39 - HG12 ILE 76 far 0 100 0 - 7.4-11.1 HG13 ILE 52 - HG12 ILE 76 far 0 91 0 - 7.5-10.7 HG2 LYS 20 - HG2 ARG 91 far 0 84 0 - 9.7-17.0 QB ALA 22 - HG2 ARG 91 far 0 96 0 - 9.8-12.1 HG2 LYS 53 - HG12 ILE 76 far 0 82 0 - 9.8-11.6 HB2 LEU 38 - HG12 ILE 76 far 0 93 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (0.80, 1.09, 26.75 ppm; 3.36 A): 2 out of 13 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 OK 34 70 50 98 3.4-5.1 2.1/9667=47...(26) QG2 ILE 52 - HG12 ILE 76 far 0 90 0 - 4.4-7.1 QD1 LEU 57 - HG2 ARG 91 far 0 75 0 - 5.8-9.8 QD1 ILE 93 - HG2 ARG 91 far 0 68 0 - 6.2-8.3 QD1 LEU 70 - HG12 ILE 76 far 0 96 0 - 7.3-10.0 QD2 LEU 57 - HG2 ARG 91 far 0 95 0 - 7.3-10.2 QD2 LEU 70 - HG12 ILE 76 far 0 100 0 - 7.4-9.4 QG1 VAL 54 - HG12 ILE 76 far 0 59 0 - 7.6-8.7 QD1 LEU 6 - HG12 ILE 76 far 0 77 0 - 8.1-9.1 QD2 LEU 2 - HG12 ILE 76 far 0 99 0 - 8.7-11.9 QD2 LEU 38 - HG12 ILE 76 far 0 90 0 - 9.3-11.2 QD1 LEU 27 - HG2 ARG 91 far 0 66 0 - 9.4-11.7 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 4.3-5.1 7265=100, 7266/1.8=95...(10) Violated in 0 structures by 0.00 A. Peak 3441 from cnoeabs.peaks (7.56, 1.44, 26.75 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.1-4.2 7256/1.8=85, 7257=67...(17) H LEU 38 + HG LEU 38 OK 38 39 100 99 1.9-4.6 5.3=42, 6586/3.0=39...(23) H GLU 88 - HG3 ARG 91 far 0 86 0 - 4.9-7.8 H LYS 24 - HG LEU 29 far 0 80 0 - 9.6-10.9 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 8 assignments used, quality = 1.00: * HA ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.5-3.2 3.8=100 HA MET 74 + HG13 ILE 76 OK 38 85 45 100 3.8-6.0 3450/2.1=38, ~9664=36...(25) HA VAL 32 - HG LEU 38 far 3 51 5 - 4.8-8.1 HA GLU 48 - HG13 ILE 76 far 0 100 0 - 7.6-11.9 HA GLN 50 - HG13 ILE 76 far 0 77 0 - 8.5-12.7 HA VAL 32 - HG LEU 29 far 0 76 0 - 8.8-9.9 HA MET 21 - HG3 ARG 91 far 0 81 0 - 9.1-12.5 HA MET 21 - HG LEU 29 far 0 76 0 - 9.4-10.5 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 26 assignments used, quality = 1.00: * HB ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 91 + HG3 ARG 91 OK 49 49 100 100 2.2-2.9 2.8=100 HD2 LYS 94 - HG3 ARG 91 far 0 78 0 - 4.5-7.9 HB3 LEU 6 - HG LEU 38 far 0 57 0 - 5.0-7.8 HD2 LYS 39 - HG LEU 38 far 0 55 0 - 5.4-9.3 HD3 LYS 39 - HG LEU 38 far 0 58 0 - 5.4-9.8 HB3 LEU 6 - HG LEU 29 far 0 85 0 - 5.7-6.8 HB2 LYS 40 - HG LEU 38 far 0 58 0 - 5.9-9.2 HB3 LYS 40 - HG LEU 38 far 0 28 0 - 6.2-9.9 HB ILE 52 - HG13 ILE 76 far 0 84 0 - 6.5-9.8 HD2 LYS 73 - HG13 ILE 76 far 0 88 0 - 6.6-11.9 HD3 LYS 73 - HG13 ILE 76 far 0 91 0 - 7.3-12.7 HG2 LYS 68 - HG LEU 38 far 0 58 0 - 7.5-13.2 HG3 LYS 47 - HG13 ILE 76 far 0 90 0 - 7.8-10.6 HD3 LYS 73 - HG LEU 38 far 0 47 0 - 7.8-15.0 HD2 LYS 73 - HG LEU 38 far 0 45 0 - 8.0-15.4 HD2 LYS 39 - HG13 ILE 76 far 0 99 0 - 8.0-12.3 HD3 LYS 39 - HG13 ILE 76 far 0 100 0 - 8.1-11.8 HD2 LYS 20 - HG LEU 29 far 0 54 0 - 8.9-12.4 HD2 LYS 68 - HG LEU 38 far 0 56 0 - 9.0-13.9 HD3 LYS 47 - HG13 ILE 76 far 0 63 0 - 9.1-12.4 HD3 LYS 68 - HG LEU 38 far 0 57 0 - 9.1-14.0 HG3 LYS 20 - HG LEU 29 far 0 59 0 - 9.1-11.9 HD3 LYS 20 - HG LEU 29 far 0 59 0 - 9.3-12.9 HB ILE 76 - HG LEU 38 far 0 58 0 - 9.3-11.9 HD2 LYS 47 - HG13 ILE 76 far 0 65 0 - 9.4-12.2 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 2.3-3.2 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 94 1.9-4.4 8944=37, 1405/2.1=31...(20) HG13 ILE 8 - HG LEU 38 far 9 57 15 - 4.0-7.0 HG13 ILE 7 - HG LEU 29 far 0 82 0 - 6.8-7.5 QD1 LEU 38 - HG13 ILE 76 far 0 88 0 - 7.3-11.2 QD1 LEU 38 - HG LEU 29 far 0 69 0 - 8.2-11.5 HG13 ILE 8 - HG LEU 29 far 0 85 0 - 8.5-10.5 QG1 VAL 32 - HG LEU 29 far 0 68 0 - 8.6-9.3 QD1 LEU 2 - HG13 ILE 76 far 0 100 0 - 8.7-12.4 QG2 ILE 76 - HG LEU 38 far 0 58 0 - 8.8-10.9 QD2 LEU 64 - HG LEU 38 far 0 47 0 - 9.2-12.8 HG13 ILE 7 - HG LEU 38 far 0 55 0 - 9.8-13.1 QD1 LEU 103 - HG3 ARG 91 far 0 79 0 - 9.8-20.2 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 HB3 ARG 81 - HG3 ARG 91 far 0 62 0 - 7.9-12.4 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): 2 out of 39 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 QD1 LEU 70 - HG LEU 38 poor 16 52 85 36 2.0-6.2 ~12070=10, 1639/3.0=6...(10) QG2 ILE 7 - HG LEU 29 far 8 85 10 - 3.9-4.4 QG2 VAL 32 - HG LEU 38 poor 7 37 20 - 2.5-4.9 QD2 LEU 42 - HG13 ILE 76 far 7 70 10 - 3.5-5.6 QD1 LEU 6 - HG LEU 38 far 0 38 0 - 4.1-5.2 QD1 ILE 93 - HG LEU 29 far 0 57 0 - 4.1-5.2 QG2 ILE 15 - HG LEU 29 far 0 83 0 - 4.4-6.0 QD2 LEU 70 - HG LEU 38 far 0 57 0 - 4.5-7.3 QG2 ILE 52 - HG13 ILE 76 far 0 90 0 - 4.6-6.6 QD2 LEU 57 - HG LEU 29 far 0 84 0 - 4.7-6.9 QG2 ILE 8 - HG LEU 38 far 0 53 0 - 4.8-7.4 QD2 LEU 42 - HG LEU 38 far 0 33 0 - 5.3-7.1 QD1 LEU 57 - HG3 ARG 91 far 0 68 0 - 5.6-9.4 QD1 ILE 93 - HG3 ARG 91 far 0 62 0 - 5.8-8.4 QG1 VAL 54 - HG LEU 29 far 0 44 0 - 5.8-6.9 QG1 VAL 54 - HG LEU 38 far 0 28 0 - 6.2-8.6 QD1 LEU 6 - HG LEU 29 far 0 59 0 - 6.3-7.0 QG2 VAL 32 - HG LEU 29 far 0 57 0 - 6.3-7.1 QD1 LEU 27 - HG LEU 29 far 0 56 0 - 6.3-7.9 QD2 LEU 57 - HG3 ARG 91 far 0 89 0 - 6.7-9.9 QD1 LEU 57 - HG LEU 29 far 0 64 0 - 7.3-8.4 QD2 LEU 70 - HG13 ILE 76 far 0 100 0 - 7.4-10.2 QD1 ILE 76 - HG LEU 38 far 0 58 0 - 7.6-9.3 QG1 VAL 54 - HG13 ILE 76 far 0 59 0 - 7.6-8.7 QD2 LEU 38 - HG LEU 29 far 0 71 0 - 7.7-11.1 QG2 ILE 7 - HG LEU 38 far 0 58 0 - 7.7-10.2 QD2 LEU 2 - HG13 ILE 76 far 0 99 0 - 8.2-11.2 QD2 LEU 57 - HG LEU 38 far 0 57 0 - 8.2-10.9 QD1 LEU 6 - HG13 ILE 76 far 0 77 0 - 8.3-9.5 QD1 LEU 70 - HG13 ILE 76 far 0 96 0 - 8.4-10.8 QD1 LEU 57 - HG LEU 38 far 0 41 0 - 8.7-12.6 QD2 LEU 42 - HG LEU 29 far 0 52 0 - 9.5-11.3 QG2 ILE 8 - HG LEU 29 far 0 79 0 - 9.5-9.9 QD2 LEU 103 - HG13 ILE 76 far 0 84 0 - 9.5-19.5 QD1 LEU 27 - HG3 ARG 91 far 0 60 0 - 9.5-11.5 QD2 LEU 38 - HG13 ILE 76 far 0 90 0 - 9.7-12.2 QD2 LEU 103 - HG3 ARG 91 far 0 70 0 - 9.9-20.7 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 3 assignments used, quality = 1.00: * H ASP 77 + HG13 ILE 76 OK 100 100 100 100 4.2-5.1 7266=100, 7264/3.2=82...(10) H VAL 5 + HG LEU 29 OK 60 60 100 99 4.4-4.9 8172/3.6=54...(10) H ARG 19 + HG LEU 29 OK 28 81 35 100 5.2-6.4 8693/2.1=83, ~8685=58...(17) 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 3.5-4.1 7256/2.1=92, 4.7=85...(13) H LEU 38 - QD1 ILE 76 far 0 79 0 - 8.7-10.0 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...(17) HA MET 74 + QD1 ILE 76 OK 85 85 100 99 4.0-4.7 10871/2.1=31...(24) HA GLU 48 - QD1 ILE 76 far 0 100 0 - 7.3-9.4 HA GLN 50 - QD1 ILE 76 far 0 77 0 - 8.5-10.8 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 15 assignments used, quality = 1.00: * HB ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.3-2.5 3.2=100 HD3 LYS 39 - QD1 ILE 76 far 0 100 0 - 5.2-8.3 HD2 LYS 39 - QD1 ILE 76 far 0 99 0 - 5.6-8.6 HB ILE 52 - QD1 ILE 76 far 0 84 0 - 5.6-8.4 HD2 LYS 73 - QD1 ILE 76 far 0 88 0 - 6.2-9.4 HG3 LYS 47 - QD1 ILE 76 far 0 90 0 - 6.3-7.8 HD3 LYS 73 - QD1 ILE 76 far 0 91 0 - 6.6-10.0 HD3 LYS 47 - QD1 ILE 76 far 0 63 0 - 7.0-8.9 HD2 LYS 47 - QD1 ILE 76 far 0 65 0 - 7.4-9.6 HB3 LYS 40 - QD1 ILE 76 far 0 59 0 - 8.2-9.4 HB2 LYS 40 - QD1 ILE 76 far 0 100 0 - 8.2-9.0 HB3 LEU 6 - QD1 ILE 76 far 0 100 0 - 8.6-10.2 HD2 LYS 68 - QD1 ILE 76 far 0 99 0 - 9.2-13.9 HD3 LYS 68 - QD1 ILE 76 far 0 100 0 - 9.5-13.5 HG2 LYS 68 - QD1 ILE 76 far 0 100 0 - 9.9-12.3 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 1.9-2.1 3.2=87, 9025/9639=26...(21) QD1 LEU 38 - QD1 ILE 76 far 0 88 0 - 4.9-7.8 QD1 LEU 2 - QD1 ILE 76 far 0 100 0 - 6.9-10.5 QG1 VAL 32 - QD1 ILE 76 far 0 87 0 - 8.3-9.5 QD1 LEU 103 - QD1 ILE 76 far 0 93 0 - 9.6-17.9 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): 1 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 poor 19 84 25 89 2.9-5.4 10834/3.2=27, 12176=26...(19) HG3 LYS 39 - QD1 ILE 76 far 0 100 0 - 4.7-7.6 HG13 ILE 52 - QD1 ILE 76 far 0 91 0 - 6.1-8.4 HB2 LEU 38 - QD1 ILE 76 far 0 93 0 - 6.9-9.5 HG LEU 38 - QD1 ILE 76 far 0 88 0 - 7.6-9.3 HG2 LYS 53 - QD1 ILE 76 far 0 82 0 - 8.5-9.9 HG3 LYS 53 - QD1 ILE 76 far 0 73 0 - 8.9-11.1 HD2 LYS 53 - QD1 ILE 76 far 0 88 0 - 9.5-12.1 HD2 LYS 40 - QD1 ILE 76 far 0 81 0 - 9.9-10.6 HD3 LYS 40 - QD1 ILE 76 far 0 79 0 - 10.0-10.6 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 4.7-5.1 7266/2.1=89...(9) H VAL 5 - QD1 ILE 76 far 0 79 0 - 9.5-10.7 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 - 8.9-12.0 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 2.4-3.0 3.0=100 HG3 MET 74 - HA ASP 77 far 0 98 0 - 9.1-11.4 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 2.1-2.2 7274=100, 7276/3.0=30...(9) H MET 74 - HA ASP 77 far 0 99 0 - 7.8-8.8 H SER 49 - HA ASP 77 far 0 79 0 - 8.9-10.7 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...(9) 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 1 assignment used, quality = 1.00: * HB3 ASP 77 + HB2 ASP 77 OK 100 100 100 100 1.8-1.8 1.8=100 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 3.7-4.5 4.4=100 H SER 49 - HB2 ASP 77 far 0 79 0 - 6.3-9.4 H MET 74 - HB2 ASP 77 far 0 99 0 - 9.6-10.9 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 2.4-3.1 7270=100, 7269/1.8=72...(9) 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 2 assignments used, quality = 1.00: * HA ASP 77 + HB3 ASP 77 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 105 - HB3 ASP 77 far 0 87 0 - 9.6-20.3 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 2 assignments used, quality = 1.00: * HB2 ASP 77 + HB3 ASP 77 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 46 - HB3 ASP 77 far 0 96 0 - 9.4-12.3 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): 1 out of 5 assignments used, quality = 1.00: * H VAL 78 + HB3 ASP 77 OK 100 100 100 100 4.2-4.5 7276=100, 7274/3.0=85...(8) H LEU 64 - HB3 ASP 65 far 3 61 5 - 4.8-5.7 H SER 49 - HB3 ASP 77 far 0 79 0 - 7.3-9.5 H ASN 60 - HB3 ASP 65 far 0 85 0 - 8.4-9.9 H MET 74 - HB3 ASP 77 far 0 99 0 - 9.3-10.5 Violated in 20 structures by 0.19 A. Peak 3472 from cnoeabs.peaks (7.75, 5.19, 58.80 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 78 + HA VAL 78 OK 100 100 100 100 2.9-2.9 3.0=100 H MET 74 - HA VAL 78 far 0 99 0 - 9.5-10.7 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 2.2-3.0 3.0=100 HB ILE 56 - HA VAL 78 far 0 95 0 - 6.5-7.8 HB2 GLU 104 - HA VAL 78 far 0 79 0 - 8.8-18.8 HB2 LEU 42 - HA VAL 78 far 0 82 0 - 9.0-10.4 HG3 ARG 46 - HA VAL 78 far 0 100 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3475 from cnoeabs.peaks (0.72, 5.19, 58.80 ppm; 3.15 A): 2 out of 13 assignments used, quality = 1.00: * QG2 VAL 78 + HA VAL 78 OK 100 100 100 100 2.4-3.2 3.2=95, 7286/7284=36...(20) QG1 VAL 78 + HA VAL 78 OK 87 87 100 100 2.1-3.1 3.2=95, 4.3/7284=33...(20) QD1 ILE 56 - HA VAL 78 far 0 97 0 - 4.2-5.8 HG13 ILE 56 - HA VAL 78 far 0 100 0 - 5.2-7.5 QD1 LEU 42 - HA VAL 78 far 0 71 0 - 6.5-7.8 QD1 ILE 52 - HA VAL 78 far 0 82 0 - 6.7-7.8 QG1 VAL 5 - HA VAL 78 far 0 100 0 - 7.3-8.4 QD2 LEU 6 - HA VAL 78 far 0 68 0 - 7.6-9.5 QD1 LEU 64 - HA VAL 78 far 0 92 0 - 8.5-9.6 HG3 ARG 81 - HA VAL 78 far 0 94 0 - 8.6-11.5 QD1 ILE 8 - HA VAL 78 far 0 98 0 - 8.9-10.8 QG1 VAL 58 - HA VAL 78 far 0 100 0 - 9.2-10.4 QD2 LEU 27 - HA VAL 78 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3476 from cnoeabs.peaks (0.74, 5.19, 58.80 ppm; 3.15 A): 2 out of 15 assignments used, quality = 1.00: * QG1 VAL 78 + HA VAL 78 OK 100 100 100 100 2.1-3.1 3.2=95, 4.3/7284=33...(20) QG2 VAL 78 + HA VAL 78 OK 86 87 100 100 2.4-3.2 3.2=95, 4.3/7284=33...(19) QG1 VAL 54 - HA VAL 78 far 10 96 10 - 3.9-4.9 QD1 ILE 56 - HA VAL 78 far 0 61 0 - 4.2-5.8 QD2 LEU 42 - HA VAL 78 far 0 91 0 - 4.6-5.7 QG2 ILE 52 - HA VAL 78 far 0 71 0 - 4.7-6.7 HG13 ILE 56 - HA VAL 78 far 0 75 0 - 5.2-7.5 QD1 LEU 6 - HA VAL 78 far 0 85 0 - 5.6-7.3 QG1 VAL 5 - HA VAL 78 far 0 93 0 - 7.3-8.4 QD1 LEU 64 - HA VAL 78 far 0 100 0 - 8.5-9.6 QD1 LEU 27 - HA VAL 78 far 0 88 0 - 8.6-10.1 HG3 ARG 81 - HA VAL 78 far 0 100 0 - 8.6-11.5 QD1 ILE 8 - HA VAL 78 far 0 65 0 - 8.9-10.8 QG1 VAL 58 - HA VAL 78 far 0 85 0 - 9.2-10.4 QD2 LEU 27 - HA VAL 78 far 0 96 0 - 9.7-10.5 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 3 assignments used, quality = 1.00: * H ARG 79 + HA VAL 78 OK 100 100 100 100 2.2-2.4 7284=100, 7285/3.0=39...(17) H VAL 54 + HA VAL 78 OK 92 99 100 93 1.9-2.7 11101=61, 6896/10348=36...(15) H LYS 53 - HA VAL 78 far 0 73 0 - 5.7-6.8 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 3 assignments used, quality = 1.00: * H VAL 78 + HB VAL 78 OK 100 100 100 100 2.9-4.0 7278=100, 7279/2.1=53...(13) H MET 74 - HB VAL 78 far 0 99 0 - 7.1-9.8 H SER 49 - HB VAL 78 far 0 79 0 - 9.7-13.1 Violated in 9 structures by 0.03 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 2.2-3.0 3.0=100 HA VAL 54 + HB VAL 78 OK 45 71 65 98 4.3-7.0 3.0/10349=48, ~11101=23...(25) 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): 3 out of 12 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 35 97 60 59 2.3-4.4 2.1/9686=16, 2595=13...(14) HG13 ILE 56 - HB VAL 78 far 15 100 15 - 3.5-6.0 QD1 LEU 42 - HB VAL 78 far 0 71 0 - 4.7-6.2 QD2 LEU 6 - HB VAL 78 far 0 68 0 - 6.5-9.5 QD1 ILE 52 - HB VAL 78 far 0 82 0 - 6.7-9.0 QG1 VAL 5 - HB VAL 78 far 0 100 0 - 6.9-9.4 QD1 LEU 64 - HB VAL 78 far 0 92 0 - 6.9-9.8 QD1 ILE 8 - HB VAL 78 far 0 98 0 - 7.1-9.5 QG1 VAL 58 - HB VAL 78 far 0 100 0 - 7.4-9.6 HG3 ARG 81 - HB VAL 78 far 0 94 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (0.74, 1.78, 35.29 ppm; 2.94 A): 4 out of 14 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 65 96 75 91 2.7-5.3 2.1/10349=33, 3492=25...(19) QD2 LEU 42 + HB VAL 78 OK 24 91 70 38 2.9-4.2 1945=14, 9553/9685=7...(9) QD1 ILE 56 - HB VAL 78 poor 20 61 60 54 2.3-4.4 2.1/9686=17, 2.1/2587=9...(14) HG13 ILE 56 - HB VAL 78 far 11 75 15 - 3.5-6.0 QG2 ILE 52 - HB VAL 78 far 0 71 0 - 4.5-8.5 QD1 LEU 6 - HB VAL 78 far 0 85 0 - 4.6-7.0 QG1 VAL 5 - HB VAL 78 far 0 93 0 - 6.9-9.4 QD1 LEU 64 - HB VAL 78 far 0 100 0 - 6.9-9.8 QD1 ILE 8 - HB VAL 78 far 0 65 0 - 7.1-9.5 QG1 VAL 58 - HB VAL 78 far 0 85 0 - 7.4-9.6 HG3 ARG 81 - HB VAL 78 far 0 100 0 - 8.7-11.8 QD1 LEU 27 - HB VAL 78 far 0 88 0 - 9.0-12.3 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 2.3-3.8 7285=100, 7284/3.0=78...(17) H VAL 54 + HB VAL 78 OK 72 99 75 97 2.6-5.4 11101/3.0=66...(11) H LYS 53 - HB VAL 78 far 0 73 0 - 6.4-9.5 H ALA 67 - HB VAL 78 far 0 93 0 - 8.5-11.1 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 = 1.00: * H VAL 78 + QG2 VAL 78 OK 99 100 100 99 2.4-3.7 7278/2.1=64, 4.0=61...(18) H VAL 78 + QG1 VAL 78 OK 67 68 100 98 2.2-4.0 7278/2.1=64, 4.0=61...(16) H MET 74 - QG1 VAL 78 far 0 66 0 - 4.9-7.6 H MET 74 - QG2 VAL 78 far 0 99 0 - 5.4-8.2 HE ARG 30 - QG1 VAL 5 far 0 44 0 - 7.0-9.7 H LYS 20 - QG1 VAL 5 far 0 40 0 - 7.2-8.6 H SER 49 - QG2 VAL 78 far 0 79 0 - 7.7-11.3 H SER 49 - QG1 VAL 78 far 0 46 0 - 8.0-11.1 H LEU 64 - QG2 VAL 78 far 0 63 0 - 8.9-12.0 H LEU 64 - QG1 VAL 78 far 0 36 0 - 9.7-11.8 H VAL 78 - QG1 VAL 5 far 0 76 0 - 9.7-10.7 HE ARG 30 - QG1 VAL 78 far 0 38 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 3485 from cnoeabs.peaks (5.19, 0.72, 21.10 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 78 + QG2 VAL 78 OK 100 100 100 100 2.4-3.2 3.2=100 HA VAL 78 + QG1 VAL 78 OK 68 68 100 100 2.1-3.1 3.2=100 HA VAL 54 - QG1 VAL 78 poor 10 41 25 - 3.9-5.9 HA VAL 54 - QG2 VAL 78 far 0 71 0 - 4.4-6.8 HA VAL 54 - QG1 VAL 5 far 0 47 0 - 4.7-5.6 HA VAL 78 - QG1 VAL 5 far 0 76 0 - 7.3-8.4 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 24 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 56 + QG2 VAL 78 OK 23 95 45 54 3.3-6.6 2566=11, ~9686=10...(15) HB ILE 56 - QG1 VAL 78 far 3 60 5 - 3.4-6.5 HB ILE 93 - QG1 VAL 5 far 0 61 0 - 4.3-5.3 HB2 LEU 42 - QG1 VAL 78 far 0 49 0 - 5.2-7.2 HB2 LEU 42 - QG2 VAL 78 far 0 82 0 - 5.2-7.6 HG3 ARG 46 - QG1 VAL 78 far 0 66 0 - 5.8-10.1 HB ILE 56 - QG1 VAL 5 far 0 67 0 - 5.9-6.6 HG3 ARG 19 - QG1 VAL 5 far 0 64 0 - 6.0-8.8 HG3 ARG 46 - QG2 VAL 78 far 0 100 0 - 6.0-11.1 HB2 GLU 28 - QG1 VAL 5 far 0 40 0 - 6.9-8.7 HB VAL 78 - QG1 VAL 5 far 0 76 0 - 6.9-9.4 HB2 LYS 90 - QG1 VAL 5 far 0 48 0 - 7.3-9.4 HB2 LYS 39 - QG1 VAL 78 far 0 59 0 - 8.4-9.9 HB2 LYS 66 - QG2 VAL 78 far 0 97 0 - 8.5-10.6 HB2 LYS 39 - QG2 VAL 78 far 0 94 0 - 8.6-10.4 HB2 GLU 104 - QG1 VAL 78 far 0 46 0 - 8.7-17.8 HB2 GLU 88 - QG1 VAL 5 far 0 53 0 - 8.7-10.0 HB2 LYS 66 - QG1 VAL 78 far 0 62 0 - 9.0-10.2 HB2 GLU 104 - QG2 VAL 78 far 0 79 0 - 9.3-17.8 HB3 GLU 63 - QG2 VAL 78 far 0 100 0 - 9.4-12.6 HB2 GLU 28 - QG1 VAL 78 far 0 34 0 - 9.6-13.3 HB3 LYS 82 - QG2 VAL 78 far 0 96 0 - 9.7-13.1 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 18 assignments used, quality = 1.00: * H ARG 79 + QG2 VAL 78 OK 99 100 100 99 2.2-4.1 7286=77, 7285/2.1=65...(20) H VAL 54 + QG2 VAL 78 OK 76 99 85 90 3.0-5.3 11101/3.2=50...(16) H ARG 79 + QG1 VAL 78 OK 67 68 100 99 2.1-4.3 7285/2.1=65, 7284/3.2=61...(16) H VAL 54 + QG1 VAL 78 OK 57 65 100 87 3.1-4.4 11101/3.2=50...(13) H LYS 53 - QG1 VAL 78 far 0 42 0 - 5.5-7.1 H LYS 53 - QG2 VAL 78 far 0 73 0 - 5.8-8.5 H ARG 79 - QG1 VAL 5 far 0 76 0 - 6.2-7.3 H ALA 67 - QG2 VAL 78 far 0 93 0 - 6.6-9.1 H THR 31 - QG1 VAL 5 far 0 76 0 - 6.6-7.9 H VAL 32 - QG1 VAL 5 far 0 65 0 - 6.8-8.0 H VAL 54 - QG1 VAL 5 far 0 74 0 - 6.8-7.8 H ALA 67 - QG1 VAL 78 far 0 58 0 - 7.2-8.7 H LYS 53 - QG1 VAL 5 far 0 48 0 - 8.0-9.3 H ASN 51 - QG1 VAL 78 far 0 38 0 - 8.8-11.4 H ASN 51 - QG2 VAL 78 far 0 68 0 - 9.3-11.9 H VAL 32 - QG1 VAL 78 far 0 58 0 - 9.5-12.2 H LEU 2 - QG2 VAL 78 far 0 99 0 - 9.6-13.5 H VAL 32 - QG2 VAL 78 far 0 93 0 - 9.7-12.1 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 14 assignments used, quality = 1.00: * H VAL 78 + QG1 VAL 78 OK 99 100 100 99 2.2-4.0 4.0=69, 7278/2.1=68...(16) H VAL 78 + QG2 VAL 78 OK 67 68 100 99 2.4-3.7 4.0=69, 7278/2.1=68...(16) H MET 74 - QG1 VAL 78 far 0 99 0 - 4.9-7.6 H MET 74 - QG2 VAL 78 far 0 66 0 - 5.4-8.2 H VAL 78 - QG1 VAL 54 far 0 83 0 - 6.1-6.8 HE ARG 30 - QG1 VAL 54 far 0 49 0 - 7.0-9.4 H SER 49 - QG2 VAL 78 far 0 46 0 - 7.7-11.3 H SER 49 - QG1 VAL 78 far 0 79 0 - 8.0-11.1 H SER 49 - QG1 VAL 54 far 0 59 0 - 8.7-10.8 H LEU 64 - QG2 VAL 78 far 0 36 0 - 8.9-12.0 H MET 74 - QG1 VAL 54 far 0 81 0 - 9.0-10.5 H LEU 64 - QG1 VAL 78 far 0 63 0 - 9.7-11.8 H GLU 37 - QG1 VAL 54 far 0 78 0 - 9.8-10.6 HE ARG 30 - QG1 VAL 78 far 0 68 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 3491 from cnoeabs.peaks (5.19, 0.74, 21.24 ppm; 3.12 A): 3 out of 6 assignments used, quality = 1.00: * HA VAL 78 + QG1 VAL 78 OK 100 100 100 100 2.1-3.1 3.2=93, 3475/2.1=34...(21) HA VAL 78 + QG2 VAL 78 OK 67 68 100 99 2.4-3.2 3.2=93, 3476/2.1=34...(20) HA VAL 54 + QG1 VAL 54 OK 52 53 100 98 2.2-2.4 3.2=93, 6902/4.1=25...(13) HA VAL 54 - QG1 VAL 78 poor 18 71 25 - 3.9-5.9 HA VAL 78 - QG1 VAL 54 far 4 83 5 - 3.9-4.9 HA VAL 54 - QG2 VAL 78 far 0 41 0 - 4.4-6.8 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 + QG2 VAL 78 OK 68 68 100 100 2.1-2.1 2.1=100 HB VAL 78 + QG1 VAL 54 OK 56 83 75 90 2.7-5.3 10349/2.1=32, 3482=21...(19) HB ILE 56 - QG2 VAL 78 poor 18 60 30 - 3.3-6.6 HB ILE 56 - QG1 VAL 78 far 5 95 5 - 3.4-6.5 HB ILE 56 - QG1 VAL 54 far 0 75 0 - 4.6-5.6 HB2 LEU 42 - QG1 VAL 78 far 0 82 0 - 5.2-7.2 HB2 LEU 42 - QG2 VAL 78 far 0 49 0 - 5.2-7.6 HB2 LEU 42 - QG1 VAL 54 far 0 62 0 - 5.6-7.2 HG3 ARG 46 - QG1 VAL 78 far 0 100 0 - 5.8-10.1 HG3 ARG 46 - QG2 VAL 78 far 0 66 0 - 6.0-11.1 HB2 GLU 28 - QG1 VAL 54 far 0 44 0 - 6.2-8.1 HG3 ARG 46 - QG1 VAL 54 far 0 82 0 - 7.7-10.8 HB2 LYS 39 - QG1 VAL 78 far 0 94 0 - 8.4-9.9 HB2 LYS 66 - QG2 VAL 78 far 0 62 0 - 8.5-10.6 HB2 LYS 39 - QG2 VAL 78 far 0 59 0 - 8.6-10.4 HB2 GLU 104 - QG1 VAL 78 far 0 79 0 - 8.7-17.8 HB2 LYS 39 - QG1 VAL 54 far 0 74 0 - 8.9-10.2 HB2 LYS 66 - QG1 VAL 78 far 0 97 0 - 9.0-10.2 HB2 GLU 104 - QG2 VAL 78 far 0 46 0 - 9.3-17.8 HB ILE 93 - QG1 VAL 54 far 0 68 0 - 9.3-10.6 HB3 GLU 63 - QG2 VAL 78 far 0 68 0 - 9.4-12.6 HB2 GLU 28 - QG1 VAL 78 far 0 61 0 - 9.6-13.3 HB3 LYS 82 - QG2 VAL 78 far 0 61 0 - 9.7-13.1 HG3 ARG 19 - QG1 VAL 54 far 0 71 0 - 10.0-12.7 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 20 assignments used, quality = 1.00: * H ARG 79 + QG1 VAL 78 OK 99 100 100 99 2.1-4.3 7285/2.1=60, 7284/3.2=57...(20) H VAL 54 + QG1 VAL 78 OK 87 99 95 92 3.1-4.4 11101/3.2=47, 6898=33...(15) H VAL 54 + QG1 VAL 54 OK 79 81 100 98 3.8-4.0 6896/2.1=69, 6897/2.1=65...(10) H ARG 79 + QG2 VAL 78 OK 67 68 100 98 2.2-4.1 7287=64, 7285/2.1=60...(19) H VAL 54 + QG2 VAL 78 OK 43 65 80 83 3.0-5.3 11101/3.2=47...(12) H ARG 79 - QG1 VAL 54 poor 18 83 35 62 3.7-5.1 2487/2.1=27, 6901/4.1=15...(8) H LYS 53 - QG1 VAL 54 far 0 54 0 - 5.4-6.1 H LYS 53 - QG1 VAL 78 far 0 73 0 - 5.5-7.1 H LYS 53 - QG2 VAL 78 far 0 42 0 - 5.8-8.5 H ALA 67 - QG2 VAL 78 far 0 58 0 - 6.6-9.1 H ALA 67 - QG1 VAL 78 far 0 93 0 - 7.2-8.7 H THR 31 - QG1 VAL 54 far 0 83 0 - 7.6-8.3 H VAL 32 - QG1 VAL 54 far 0 72 0 - 7.9-8.8 H ASN 51 - QG1 VAL 78 far 0 68 0 - 8.8-11.4 H ALA 67 - QG1 VAL 54 far 0 72 0 - 9.0-9.9 H LEU 2 - QG1 VAL 54 far 0 80 0 - 9.3-10.5 H ASN 51 - QG2 VAL 78 far 0 38 0 - 9.3-11.9 H VAL 32 - QG1 VAL 78 far 0 93 0 - 9.5-12.2 H LEU 2 - QG2 VAL 78 far 0 65 0 - 9.6-13.5 H VAL 32 - QG2 VAL 78 far 0 58 0 - 9.7-12.1 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 72 99 100 72 5.7-6.8 ~2481=21, 3505/3.0=20...(9) H LYS 53 - HA ARG 79 far 0 73 0 - 9.6-10.6 H ALA 67 - HA ARG 79 far 0 93 0 - 9.6-10.8 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): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 103 - HA ARG 79 far 14 94 15 - 5.5-15.0 HB2 LEU 103 - HA ARG 79 far 0 96 0 - 7.4-15.5 Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (1.65, 4.71, 54.12 ppm; 6.50 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 68 + HA ARG 79 OK 24 98 30 82 5.9-9.3 10788/11121=67...(3) HD3 LYS 68 - HA ARG 79 poor 20 100 20 - 4.2-8.7 HD2 LYS 68 - HA ARG 79 far 15 100 15 - 5.5-10.2 HB3 LYS 53 - HA ARG 79 far 0 75 0 - 7.9-9.4 HB ILE 76 - HA ARG 79 far 0 99 0 - 8.6-9.6 HB3 LEU 6 - HA ARG 79 far 0 100 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (1.53, 4.71, 54.12 ppm; 3.94 A): 2 out of 7 assignments used, quality = 1.00: HG3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.1-4.2 4.1=91, 1.8/3524=40...(28) * HG2 ARG 79 + HA ARG 79 OK 100 100 100 100 3.1-3.6 4.1=91, 1.8/3533=40...(29) HG12 ILE 56 - HA ARG 79 far 15 100 15 - 4.7-8.1 HD3 LYS 53 - HA ARG 79 far 0 94 0 - 6.5-10.1 HB3 LEU 103 - HA ARG 79 far 0 99 0 - 7.6-15.0 HG LEU 6 - HA ARG 79 far 0 99 0 - 9.1-11.7 HG LEU 57 - HA ARG 79 far 0 71 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 3501 from cnoeabs.peaks (1.53, 4.71, 54.12 ppm; 3.94 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.1-4.2 4.1=91, 1.8/3524=40...(28) HG2 ARG 79 + HA ARG 79 OK 100 100 100 100 3.1-3.6 4.1=91, 1.8/3533=40...(29) HG12 ILE 56 - HA ARG 79 far 15 100 15 - 4.7-8.1 HD3 LYS 53 - HA ARG 79 far 0 95 0 - 6.5-10.1 HB3 LEU 103 - HA ARG 79 far 0 98 0 - 7.6-15.0 HG LEU 6 - HA ARG 79 far 0 99 0 - 9.1-11.7 HG LEU 57 - HA ARG 79 far 0 70 0 - 9.8-11.2 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 5 assignments used, quality = 1.00: HD3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.2-5.2 5.3=55, 1.8/3551=50...(28) * HD2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.5-4.1 3542=56, 1.8/3551=40...(28) HB3 HIS 106 - HA ARG 79 far 0 94 0 - 6.9-17.8 HB3 HIS 105 - HA ARG 79 far 0 100 0 - 7.1-16.9 HB2 PHE 96 - HA ARG 79 far 0 82 0 - 9.2-11.6 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 5 assignments used, quality = 1.00: * HD3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.2-5.2 5.3=55, 1.8/3551=50...(28) HD2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.5-4.1 3542=56, 1.8/3551=40...(28) HB3 HIS 106 - HA ARG 79 far 0 92 0 - 6.9-17.8 HB3 HIS 105 - HA ARG 79 far 0 99 0 - 7.1-16.9 HB2 PHE 96 - HA ARG 79 far 0 85 0 - 9.2-11.6 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 2.1-2.4 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 2.3-3.9 4.1=100 H VAL 54 + HB2 ARG 79 OK 26 99 40 67 4.4-7.6 11101/9690=23...(11) H LYS 53 - HB2 ARG 79 far 0 73 0 - 8.0-11.1 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 2.2-3.0 3.0=100 HA LYS 82 - HB2 ARG 79 far 0 99 0 - 9.1-11.3 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 - 6.1-9.3 HD3 LYS 68 - HB2 ARG 79 far 0 100 0 - 6.5-11.0 HG2 LYS 68 - HB2 ARG 79 far 0 98 0 - 7.7-11.6 HB3 LEU 6 - HB2 ARG 79 far 0 100 0 - 7.7-12.6 HD2 LYS 68 - HB2 ARG 79 far 0 100 0 - 7.8-12.5 HB ILE 76 - HB2 ARG 79 far 0 99 0 - 9.6-11.5 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 2.3-3.0 3.0=100 HG12 ILE 56 - HB2 ARG 79 far 0 100 0 - 4.9-9.4 HD3 LYS 53 - HB2 ARG 79 far 0 94 0 - 5.8-9.4 HB3 LEU 103 - HB2 ARG 79 far 0 99 0 - 6.4-14.5 HG LEU 57 - HB2 ARG 79 far 0 71 0 - 8.3-11.0 HG LEU 6 - HB2 ARG 79 far 0 99 0 - 8.4-12.0 HB2 LEU 3 - HB2 ARG 79 far 0 93 0 - 8.7-11.8 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 2.3-3.0 3.0=100 HG2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG12 ILE 56 - HB2 ARG 79 far 0 100 0 - 4.9-9.4 HD3 LYS 53 - HB2 ARG 79 far 0 95 0 - 5.8-9.4 HB3 LEU 103 - HB2 ARG 79 far 0 98 0 - 6.4-14.5 HG LEU 57 - HB2 ARG 79 far 0 70 0 - 8.3-11.0 HG LEU 6 - HB2 ARG 79 far 0 99 0 - 8.4-12.0 HB2 LEU 3 - HB2 ARG 79 far 0 94 0 - 8.7-11.8 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 2.0-4.2 3.8=100 HD3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-4.2 3.8=100 HB2 PHE 96 - HB2 ARG 79 far 0 82 0 - 6.6-9.8 HB3 HIS 105 - HB2 ARG 79 far 0 100 0 - 7.7-15.8 HB3 HIS 106 - HB2 ARG 79 far 0 94 0 - 8.0-18.9 HB2 TRP 92 - HB2 ARG 79 far 0 79 0 - 8.1-11.4 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 2.2-4.2 3.8=100 HD2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.0-4.2 3.8=100 HB2 PHE 96 - HB2 ARG 79 far 0 85 0 - 6.6-9.8 HB3 HIS 105 - HB2 ARG 79 far 0 99 0 - 7.7-15.8 HB3 HIS 106 - HB2 ARG 79 far 0 92 0 - 8.0-18.9 HB2 TRP 92 - HB2 ARG 79 far 0 82 0 - 8.1-11.4 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 2.5-4.6 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): 1 out of 3 assignments used, quality = 1.00: * H ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.1-3.8 4.1=100 H VAL 54 - HB3 ARG 79 poor 18 99 25 71 4.7-7.6 11101/9690=23...(11) H LYS 53 - HB3 ARG 79 far 0 73 0 - 7.9-11.1 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 2.2-3.0 3.0=100 HA LYS 82 - HB3 ARG 79 far 0 99 0 - 8.9-10.9 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 HG LEU 103 - HB3 ARG 79 far 5 94 5 - 3.8-15.1 HB2 LEU 103 - HB3 ARG 79 far 0 96 0 - 6.1-14.9 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 2.3-3.0 3.0=100 HG3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG12 ILE 56 - HB3 ARG 79 far 0 100 0 - 4.7-8.9 HD3 LYS 53 - HB3 ARG 79 far 0 94 0 - 5.6-9.8 HB3 LEU 103 - HB3 ARG 79 far 0 99 0 - 6.4-14.4 HG LEU 57 - HB3 ARG 79 far 0 71 0 - 7.6-10.6 HB2 LEU 3 - HB3 ARG 79 far 0 93 0 - 8.4-12.5 HG LEU 6 - HB3 ARG 79 far 0 99 0 - 9.2-12.3 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 2.2-3.0 3.0=100 HG2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 56 - HB3 ARG 79 far 0 100 0 - 4.7-8.9 HD3 LYS 53 - HB3 ARG 79 far 0 95 0 - 5.6-9.8 HB3 LEU 103 - HB3 ARG 79 far 0 98 0 - 6.4-14.4 HG LEU 57 - HB3 ARG 79 far 0 70 0 - 7.6-10.6 HB2 LEU 3 - HB3 ARG 79 far 0 94 0 - 8.4-12.5 HG LEU 6 - HB3 ARG 79 far 0 99 0 - 9.2-12.3 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 2.0-4.1 3.8=100 HD3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.4-4.2 3.8=100 HB2 PHE 96 - HB3 ARG 79 far 0 82 0 - 6.3-10.3 HB3 HIS 105 - HB3 ARG 79 far 0 100 0 - 7.0-16.6 HB3 HIS 106 - HB3 ARG 79 far 0 94 0 - 7.3-19.3 HB2 TRP 92 - HB3 ARG 79 far 0 79 0 - 7.8-10.9 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 2.4-4.2 3.8=100 HD2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.0-4.1 3.8=100 HB2 PHE 96 - HB3 ARG 79 far 0 85 0 - 6.3-10.3 HB3 HIS 105 - HB3 ARG 79 far 0 99 0 - 7.0-16.6 HB3 HIS 106 - HB3 ARG 79 far 0 92 0 - 7.3-19.3 HB2 TRP 92 - HB3 ARG 79 far 0 82 0 - 7.8-10.9 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 2.5-4.6 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): 4 out of 17 assignments used, quality = 1.00: * H ARG 79 + HG2 ARG 79 OK 100 100 100 100 1.9-4.8 4.7=72, 7289/3.0=67...(22) H ARG 79 + HG3 ARG 79 OK 100 100 100 100 3.5-4.5 4.7=72, 7289/3.0=67...(19) H LEU 2 + HG LEU 2 OK 80 81 100 99 3.6-4.0 6012=82, ~77=44, ~49=43...(8) H THR 31 + HG3 ARG 30 OK 72 72 100 100 3.2-4.4 6496=96, 6493/2.9=71...(12) H VAL 54 - HG2 ARG 79 poor 19 99 30 64 3.1-7.8 11101/9689=12...(15) H LYS 53 - HG LEU 2 poor 15 55 50 54 3.6-6.1 6870/2.1=21...(8) H VAL 54 - HG3 ARG 79 far 10 99 10 - 4.6-7.6 H ASN 51 - HG LEU 2 far 3 50 5 - 5.0-9.3 H THR 31 - HG LEU 6 far 0 82 0 - 5.7-7.5 H VAL 54 - HG LEU 6 far 0 80 0 - 6.6-8.5 H VAL 32 - HG LEU 6 far 0 72 0 - 6.7-7.9 H LYS 53 - HG2 ARG 79 far 0 73 0 - 6.7-10.7 H VAL 32 - HG3 ARG 30 far 0 62 0 - 7.0-8.4 H ARG 79 - HG LEU 6 far 0 82 0 - 7.0-9.1 H VAL 54 - HG LEU 2 far 0 82 0 - 7.4-9.9 H LYS 53 - HG3 ARG 79 far 0 73 0 - 7.4-10.9 H LYS 53 - HG LEU 6 far 0 53 0 - 8.9-10.4 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 2.1-4.2 4.1=76, 3500/1.8=34...(27) * HA ARG 79 + HG2 ARG 79 OK 100 100 100 100 3.1-3.6 4.1=76, 3501/1.8=34...(27) HA LYS 82 - HG2 ARG 79 far 0 99 0 - 8.7-12.5 HA ARG 79 - HG LEU 6 far 0 82 0 - 9.1-11.7 HA LYS 82 - HG3 ARG 79 far 0 98 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.65 A): 3 out of 18 assignments used, quality = 1.00: * HB2 ARG 79 + HG2 ARG 79 OK 92 100 100 92 2.2-3.0 3.0=71, 7289/4.7=15...(16) HB2 ARG 79 + HG3 ARG 79 OK 92 100 100 92 2.3-3.0 3.0=71, 7289/4.7=15...(16) HB2 ARG 30 + HG3 ARG 30 OK 63 72 100 87 2.2-3.0 2.9=74, 6493/6496=19...(8) HB2 ARG 30 - HG LEU 6 far 0 82 0 - 3.7-6.2 HG LEU 103 - HG3 ARG 79 far 0 94 0 - 4.7-13.2 HB3 LEU 29 - HG3 ARG 30 far 0 72 0 - 5.3-8.2 HB3 GLU 28 - HG3 ARG 30 far 0 39 0 - 5.4-8.4 HB2 LEU 103 - HG2 ARG 79 far 0 96 0 - 5.8-13.2 HB2 LEU 103 - HG3 ARG 79 far 0 96 0 - 5.9-13.5 HG LEU 103 - HG2 ARG 79 far 0 94 0 - 6.0-14.3 HG3 LYS 47 - HG LEU 2 far 0 70 0 - 6.1-11.6 HB3 GLU 28 - HG LEU 2 far 0 47 0 - 6.3-7.8 HG2 ARG 19 - HG3 ARG 30 far 0 66 0 - 6.6-11.9 HB3 GLU 28 - HG LEU 6 far 0 45 0 - 7.3-8.9 HB3 LEU 29 - HG LEU 6 far 0 82 0 - 7.5-8.8 HB2 ARG 79 - HG LEU 6 far 0 82 0 - 8.4-12.0 HG LEU 27 - HG LEU 2 far 0 84 0 - 9.2-11.8 HG2 ARG 19 - HG LEU 6 far 0 76 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.94 A): 3 out of 30 assignments used, quality = 1.00: * HB3 ARG 79 + HG2 ARG 79 OK 99 100 100 99 2.3-3.0 3.0=96, 7290/4.7=20...(16) HB3 ARG 79 + HG3 ARG 79 OK 99 100 100 99 2.2-3.0 3.0=96, 7290/4.7=20...(16) HB3 LEU 6 + HG LEU 6 OK 80 81 100 99 2.4-3.0 3.0=97, 10160/10159=25...(10) HB ILE 52 - HG LEU 2 far 4 77 5 - 2.8-5.9 HB3 LYS 53 - HG2 ARG 79 far 0 75 0 - 4.5-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 5.0-9.0 HD2 LYS 47 - HG LEU 2 far 0 64 0 - 5.7-12.1 HB3 LYS 53 - HG LEU 2 far 0 57 0 - 5.8-8.5 HG3 LYS 47 - HG LEU 2 far 0 55 0 - 6.1-11.6 HD3 LYS 47 - HG LEU 2 far 0 63 0 - 6.2-12.9 HB3 LEU 6 - HG3 ARG 30 far 0 72 0 - 6.4-8.2 HD3 LYS 68 - HG3 ARG 79 far 0 100 0 - 6.6-12.7 HD3 LYS 68 - HG2 ARG 79 far 0 100 0 - 7.0-12.2 HB2 LYS 40 - HG3 ARG 30 far 0 71 0 - 7.5-12.0 HB3 LEU 6 - HG2 ARG 79 far 0 100 0 - 7.6-13.3 HB3 LYS 40 - HG3 ARG 30 far 0 50 0 - 7.7-11.6 HG2 LYS 68 - HG3 ARG 79 far 0 98 0 - 7.8-13.1 HG2 LYS 68 - HG2 ARG 79 far 0 98 0 - 7.9-12.6 HD2 LYS 68 - HG3 ARG 79 far 0 100 0 - 8.1-14.1 HD2 LYS 68 - HG2 ARG 79 far 0 100 0 - 8.5-13.6 HB3 LYS 40 - HG LEU 6 far 0 58 0 - 8.7-11.0 HB2 LYS 40 - HG LEU 6 far 0 80 0 - 8.7-10.7 HB ILE 76 - HG2 ARG 79 far 0 99 0 - 8.8-12.3 HB ILE 76 - HG LEU 6 far 0 79 0 - 9.0-10.8 HB3 LYS 53 - HG LEU 6 far 0 55 0 - 9.1-11.3 HB3 LEU 6 - HG3 ARG 79 far 0 100 0 - 9.2-13.1 HB3 ARG 79 - HG LEU 6 far 0 82 0 - 9.2-12.3 HG12 ILE 15 - HG LEU 6 far 0 42 0 - 9.6-11.7 HG12 ILE 15 - HG3 ARG 30 far 0 36 0 - 9.6-10.9 HD3 LYS 47 - HG3 ARG 30 far 0 53 0 - 10.0-17.2 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 17 assignments used, quality = 1.00: * HD2 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 2.3-3.0 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 2.3-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 0 100 0 - 5.0-16.1 HB3 HIS 106 - HG3 ARG 79 far 0 94 0 - 5.2-17.2 HB3 HIS 105 - HG2 ARG 79 far 0 100 0 - 5.3-17.7 HB3 HIS 106 - HG2 ARG 79 far 0 94 0 - 5.6-18.2 HB2 PHE 96 - HG3 ARG 79 far 0 82 0 - 6.1-10.0 HD3 ARG 30 - HG LEU 6 far 0 78 0 - 6.2-8.8 HB2 PHE 96 - HG2 ARG 79 far 0 82 0 - 6.8-8.5 HB2 TRP 92 - HG3 ARG 79 far 0 79 0 - 7.9-11.6 HD2 ARG 79 - HG LEU 6 far 0 82 0 - 8.4-12.7 HD3 ARG 79 - HG LEU 6 far 0 82 0 - 8.5-13.3 HB2 TRP 92 - HG2 ARG 79 far 0 79 0 - 8.5-10.8 HB3 ASN 26 - HG LEU 2 far 0 84 0 - 9.8-12.4 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 17 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 2.2-3.0 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 70 70 100 100 2.3-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 0 99 0 - 5.0-16.1 HB3 HIS 106 - HG3 ARG 79 far 0 92 0 - 5.2-17.2 HB3 HIS 105 - HG2 ARG 79 far 0 99 0 - 5.3-17.7 HB3 HIS 106 - HG2 ARG 79 far 0 92 0 - 5.6-18.2 HB2 PHE 96 - HG3 ARG 79 far 0 85 0 - 6.1-10.0 HD3 ARG 30 - HG LEU 6 far 0 79 0 - 6.2-8.8 HB2 PHE 96 - HG2 ARG 79 far 0 85 0 - 6.8-8.5 HB2 TRP 92 - HG3 ARG 79 far 0 82 0 - 7.9-11.6 HD2 ARG 79 - HG LEU 6 far 0 82 0 - 8.4-12.7 HD3 ARG 79 - HG LEU 6 far 0 82 0 - 8.5-13.3 HB2 TRP 92 - HG2 ARG 79 far 0 82 0 - 8.5-10.8 HB3 ASN 26 - HG LEU 2 far 0 83 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * H THR 80 + HG2 ARG 79 OK 100 100 100 100 3.7-5.5 7299/3.0=75, 7298/4.1=75...(14) H THR 80 + HG3 ARG 79 OK 70 100 70 100 2.9-5.9 7299/3.0=75, 7298/4.1=75...(13) H LEU 29 - HG3 ARG 30 poor 17 42 40 - 4.4-7.1 H LEU 29 - HG LEU 6 far 0 49 0 - 7.4-8.8 H THR 80 - HG LEU 6 far 0 82 0 - 9.4-11.7 Violated in 6 structures by 0.09 A. Peak 3532 from cnoeabs.peaks (8.50, 1.53, 26.76 ppm; 4.17 A): 4 out of 17 assignments used, quality = 1.00: H ARG 79 + HG2 ARG 79 OK 100 100 100 100 1.9-4.8 4.7=72, 7289/3.0=67...(22) * H ARG 79 + HG3 ARG 79 OK 100 100 100 100 3.5-4.5 4.7=72, 7289/3.0=67...(19) H LEU 2 + HG LEU 2 OK 78 79 100 98 3.6-4.0 6012=80, ~77=44, ~49=43...(8) H THR 31 + HG3 ARG 30 OK 72 72 100 100 3.2-4.4 6496=96, 6493/2.9=71...(12) H VAL 54 - HG2 ARG 79 poor 19 99 30 64 3.1-7.8 11101/9689=12...(15) H LYS 53 - HG LEU 2 poor 14 53 50 54 3.6-6.1 6870/2.1=21...(8) H VAL 54 - HG3 ARG 79 far 10 99 10 - 4.6-7.6 H ASN 51 - HG LEU 2 far 2 49 5 - 5.0-9.3 H THR 31 - HG LEU 6 far 0 81 0 - 5.7-7.5 H VAL 54 - HG LEU 6 far 0 79 0 - 6.6-8.5 H VAL 32 - HG LEU 6 far 0 71 0 - 6.7-7.9 H LYS 53 - HG2 ARG 79 far 0 73 0 - 6.7-10.7 H VAL 32 - HG3 ARG 30 far 0 62 0 - 7.0-8.4 H ARG 79 - HG LEU 6 far 0 81 0 - 7.0-9.1 H VAL 54 - HG LEU 2 far 0 80 0 - 7.4-9.9 H LYS 53 - HG3 ARG 79 far 0 73 0 - 7.4-10.9 H LYS 53 - HG LEU 6 far 0 53 0 - 8.9-10.4 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 2.1-4.2 4.1=76, 3500/1.8=34...(27) HA ARG 79 + HG2 ARG 79 OK 100 100 100 100 3.1-3.6 4.1=76, 3501/1.8=34...(27) HA LYS 82 - HG2 ARG 79 far 0 98 0 - 8.7-12.5 HA ARG 79 - HG LEU 6 far 0 81 0 - 9.1-11.7 HA LYS 82 - HG3 ARG 79 far 0 99 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.65 A): 3 out of 18 assignments used, quality = 1.00: HB2 ARG 79 + HG2 ARG 79 OK 92 100 100 92 2.2-3.0 3.0=71, 7289/4.7=15...(16) * HB2 ARG 79 + HG3 ARG 79 OK 92 100 100 92 2.3-3.0 3.0=71, 7289/4.7=15...(16) HB2 ARG 30 + HG3 ARG 30 OK 63 72 100 87 2.2-3.0 2.9=74, 6493/6496=19...(8) HB2 ARG 30 - HG LEU 6 far 0 81 0 - 3.7-6.2 HG LEU 103 - HG3 ARG 79 far 0 94 0 - 4.7-13.2 HB3 LEU 29 - HG3 ARG 30 far 0 72 0 - 5.3-8.2 HB3 GLU 28 - HG3 ARG 30 far 0 39 0 - 5.4-8.4 HB2 LEU 103 - HG2 ARG 79 far 0 96 0 - 5.8-13.2 HB2 LEU 103 - HG3 ARG 79 far 0 96 0 - 5.9-13.5 HG LEU 103 - HG2 ARG 79 far 0 94 0 - 6.0-14.3 HG3 LYS 47 - HG LEU 2 far 0 68 0 - 6.1-11.6 HB3 GLU 28 - HG LEU 2 far 0 45 0 - 6.3-7.8 HG2 ARG 19 - HG3 ARG 30 far 0 66 0 - 6.6-11.9 HB3 GLU 28 - HG LEU 6 far 0 45 0 - 7.3-8.9 HB3 LEU 29 - HG LEU 6 far 0 81 0 - 7.5-8.8 HB2 ARG 79 - HG LEU 6 far 0 81 0 - 8.4-12.0 HG LEU 27 - HG LEU 2 far 0 82 0 - 9.2-11.8 HG2 ARG 19 - HG LEU 6 far 0 75 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.94 A): 3 out of 30 assignments used, quality = 1.00: HB3 ARG 79 + HG2 ARG 79 OK 99 100 100 99 2.3-3.0 3.0=96, 7290/4.7=20...(16) * HB3 ARG 79 + HG3 ARG 79 OK 99 100 100 99 2.2-3.0 3.0=96, 7290/4.7=20...(16) HB3 LEU 6 + HG LEU 6 OK 79 80 100 99 2.4-3.0 3.0=97, 10160/10159=25...(10) HB ILE 52 - HG LEU 2 far 4 75 5 - 2.8-5.9 HB3 LYS 53 - HG2 ARG 79 far 0 75 0 - 4.5-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 5.0-9.0 HD2 LYS 47 - HG LEU 2 far 0 63 0 - 5.7-12.1 HB3 LYS 53 - HG LEU 2 far 0 55 0 - 5.8-8.5 HG3 LYS 47 - HG LEU 2 far 0 53 0 - 6.1-11.6 HD3 LYS 47 - HG LEU 2 far 0 61 0 - 6.2-12.9 HB3 LEU 6 - HG3 ARG 30 far 0 71 0 - 6.4-8.2 HD3 LYS 68 - HG3 ARG 79 far 0 100 0 - 6.6-12.7 HD3 LYS 68 - HG2 ARG 79 far 0 100 0 - 7.0-12.2 HB2 LYS 40 - HG3 ARG 30 far 0 70 0 - 7.5-12.0 HB3 LEU 6 - HG2 ARG 79 far 0 100 0 - 7.6-13.3 HB3 LYS 40 - HG3 ARG 30 far 0 50 0 - 7.7-11.6 HG2 LYS 68 - HG3 ARG 79 far 0 98 0 - 7.8-13.1 HG2 LYS 68 - HG2 ARG 79 far 0 98 0 - 7.9-12.6 HD2 LYS 68 - HG3 ARG 79 far 0 100 0 - 8.1-14.1 HD2 LYS 68 - HG2 ARG 79 far 0 100 0 - 8.5-13.6 HB3 LYS 40 - HG LEU 6 far 0 57 0 - 8.7-11.0 HB2 LYS 40 - HG LEU 6 far 0 79 0 - 8.7-10.7 HB ILE 76 - HG2 ARG 79 far 0 99 0 - 8.8-12.3 HB ILE 76 - HG LEU 6 far 0 78 0 - 9.0-10.8 HB3 LYS 53 - HG LEU 6 far 0 54 0 - 9.1-11.3 HB3 LEU 6 - HG3 ARG 79 far 0 100 0 - 9.2-13.1 HB3 ARG 79 - HG LEU 6 far 0 81 0 - 9.2-12.3 HG12 ILE 15 - HG LEU 6 far 0 42 0 - 9.6-11.7 HG12 ILE 15 - HG3 ARG 30 far 0 36 0 - 9.6-10.9 HD3 LYS 47 - HG3 ARG 30 far 0 52 0 - 10.0-17.2 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 17 assignments used, quality = 1.00: * HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 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 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 2.3-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 0 100 0 - 5.0-16.1 HB3 HIS 106 - HG3 ARG 79 far 0 94 0 - 5.2-17.2 HB3 HIS 105 - HG2 ARG 79 far 0 100 0 - 5.3-17.7 HB3 HIS 106 - HG2 ARG 79 far 0 94 0 - 5.6-18.2 HB2 PHE 96 - HG3 ARG 79 far 0 82 0 - 6.1-10.0 HD3 ARG 30 - HG LEU 6 far 0 77 0 - 6.2-8.8 HB2 PHE 96 - HG2 ARG 79 far 0 82 0 - 6.8-8.5 HB2 TRP 92 - HG3 ARG 79 far 0 79 0 - 7.9-11.6 HD2 ARG 79 - HG LEU 6 far 0 81 0 - 8.4-12.7 HD3 ARG 79 - HG LEU 6 far 0 81 0 - 8.5-13.3 HB2 TRP 92 - HG2 ARG 79 far 0 79 0 - 8.5-10.8 HB3 ASN 26 - HG LEU 2 far 0 82 0 - 9.8-12.4 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 17 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 2.3-3.0 3.0=100 HD2 ARG 79 + HG2 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 2.3-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 0 99 0 - 5.0-16.1 HB3 HIS 106 - HG3 ARG 79 far 0 92 0 - 5.2-17.2 HB3 HIS 105 - HG2 ARG 79 far 0 99 0 - 5.3-17.7 HB3 HIS 106 - HG2 ARG 79 far 0 92 0 - 5.6-18.2 HB2 PHE 96 - HG3 ARG 79 far 0 85 0 - 6.1-10.0 HD3 ARG 30 - HG LEU 6 far 0 78 0 - 6.2-8.8 HB2 PHE 96 - HG2 ARG 79 far 0 85 0 - 6.8-8.5 HB2 TRP 92 - HG3 ARG 79 far 0 82 0 - 7.9-11.6 HD2 ARG 79 - HG LEU 6 far 0 81 0 - 8.4-12.7 HD3 ARG 79 - HG LEU 6 far 0 81 0 - 8.5-13.3 HB2 TRP 92 - HG2 ARG 79 far 0 82 0 - 8.5-10.8 HB3 ASN 26 - HG LEU 2 far 0 81 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 3540 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: H THR 80 + HG2 ARG 79 OK 100 100 100 100 3.7-5.5 7299/3.0=75, 7298/4.1=75...(14) * H THR 80 + HG3 ARG 79 OK 70 100 70 100 2.9-5.9 7299/3.0=75, 7298/4.1=75...(13) H LEU 29 - HG3 ARG 30 poor 17 41 40 - 4.4-7.1 H LEU 29 - HG LEU 6 far 0 48 0 - 7.4-8.8 H THR 80 - HG LEU 6 far 0 81 0 - 9.4-11.7 Violated in 6 structures by 0.09 A. Peak 3541 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.23 A): 4 out of 6 assignments used, quality = 1.00: H ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.6-4.8 7289/3.8=57, 7290/3.8=57...(21) * H ARG 79 + HD2 ARG 79 OK 95 100 95 100 1.8-5.2 7289/3.8=57, 7290/3.8=57...(21) H VAL 54 + HD2 ARG 79 OK 50 99 80 63 3.2-6.3 11101/12196=21...(11) H VAL 54 + HD3 ARG 79 OK 30 99 50 60 4.0-6.6 11101/12196=22...(11) H LYS 53 - HD2 ARG 79 far 0 73 0 - 6.5-9.6 H LYS 53 - HD3 ARG 79 far 0 73 0 - 7.0-9.7 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 2 assignments used, quality = 1.00: * HA ARG 79 + HD2 ARG 79 OK 99 100 100 99 2.5-4.1 5.3=36, 3.0/3552=30...(27) HA ARG 79 + HD3 ARG 79 OK 79 100 80 99 2.2-5.2 5.3=36, 3.0/3552=30...(26) Violated in 2 structures by 0.01 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 2.0-4.2 3.8=93, 3.0/3551=30...(23) HB2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-4.2 3.8=93, 3534/3.0=28...(21) HG LEU 103 - HD2 ARG 79 far 5 94 5 - 4.2-13.0 HG LEU 103 - HD3 ARG 79 far 0 94 0 - 5.1-12.9 HB2 LEU 103 - HD3 ARG 79 far 0 96 0 - 6.3-13.0 HB2 LEU 103 - HD2 ARG 79 far 0 96 0 - 6.6-13.2 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 16 assignments used, quality = 1.00: * HB3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.0-4.1 3.8=100 HB3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.4-4.2 3.8=100 HB3 LYS 53 - HD2 ARG 79 far 0 75 0 - 5.0-7.4 HB3 LYS 53 - HD3 ARG 79 far 0 75 0 - 5.0-7.9 HB3 LEU 6 - HD2 ARG 79 far 0 100 0 - 7.3-13.4 HG2 LYS 68 - HD3 ARG 79 far 0 98 0 - 7.8-13.2 HD3 LYS 68 - HD3 ARG 79 far 0 100 0 - 7.8-12.9 HB3 LEU 6 - HD3 ARG 79 far 0 100 0 - 8.1-14.1 HD3 LYS 68 - HD2 ARG 79 far 0 100 0 - 8.2-12.5 HB ILE 76 - HD3 ARG 79 far 0 99 0 - 8.3-11.1 HB ILE 76 - HD2 ARG 79 far 0 99 0 - 8.4-11.4 HG2 LYS 68 - HD2 ARG 79 far 0 98 0 - 8.6-12.9 HD2 LYS 68 - HD3 ARG 79 far 0 100 0 - 9.0-14.3 HB ILE 52 - HD2 ARG 79 far 0 96 0 - 9.4-12.5 HD2 LYS 68 - HD2 ARG 79 far 0 100 0 - 9.5-14.0 HB ILE 52 - HD3 ARG 79 far 0 95 0 - 9.9-12.5 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 16 assignments used, quality = 1.00: * HG2 ARG 79 + HD2 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 2.3-3.0 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 HD3 LYS 53 - HD3 ARG 79 far 9 94 10 - 3.9-8.0 HD3 LYS 53 - HD2 ARG 79 far 5 94 5 - 2.7-6.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.0-9.1 HB3 LEU 103 - HD2 ARG 79 far 0 99 0 - 5.9-12.9 HB2 LEU 3 - HD3 ARG 79 far 0 93 0 - 6.1-11.8 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.2-9.7 HB3 LEU 103 - HD3 ARG 79 far 0 98 0 - 6.5-13.0 HB2 LEU 3 - HD2 ARG 79 far 0 93 0 - 7.0-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.4-12.7 HG LEU 57 - HD3 ARG 79 far 0 71 0 - 8.4-12.7 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 8.5-13.3 HG LEU 57 - HD2 ARG 79 far 0 71 0 - 8.9-13.1 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 16 assignments used, quality = 1.00: * HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 79 + HD2 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 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 53 - HD3 ARG 79 far 9 95 10 - 3.9-8.0 HD3 LYS 53 - HD2 ARG 79 far 5 95 5 - 2.7-6.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.0-9.1 HB3 LEU 103 - HD2 ARG 79 far 0 98 0 - 5.9-12.9 HB2 LEU 3 - HD3 ARG 79 far 0 94 0 - 6.1-11.8 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.2-9.7 HB3 LEU 103 - HD3 ARG 79 far 0 98 0 - 6.5-13.0 HB2 LEU 3 - HD2 ARG 79 far 0 94 0 - 7.0-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.4-12.7 HG LEU 57 - HD3 ARG 79 far 0 69 0 - 8.4-12.7 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 8.5-13.3 HG LEU 57 - HD2 ARG 79 far 0 70 0 - 8.9-13.1 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 4.7-6.1 7299/3.8=90, 7298/5.3=81...(14) H THR 80 + HD3 ARG 79 OK 100 100 100 100 4.4-6.2 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): 4 out of 6 assignments used, quality = 1.00: * H ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.6-4.8 7289/3.8=58, 7290/3.8=58...(21) H ARG 79 + HD2 ARG 79 OK 95 100 95 100 1.8-5.2 7289/3.8=58, 7290/3.8=58...(21) H VAL 54 + HD2 ARG 79 OK 50 99 80 63 3.2-6.3 11101/12196=21...(11) H VAL 54 + HD3 ARG 79 OK 30 99 50 61 4.0-6.6 11101/12196=22...(11) H LYS 53 - HD2 ARG 79 far 0 73 0 - 6.5-9.6 H LYS 53 - HD3 ARG 79 far 0 73 0 - 7.0-9.7 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 2 assignments used, quality = 1.00: HA ARG 79 + HD2 ARG 79 OK 99 100 100 99 2.5-4.1 5.3=36, 3.0/3552=30...(27) * HA ARG 79 + HD3 ARG 79 OK 79 100 80 99 2.2-5.2 5.3=36, 3.0/3552=30...(26) Violated in 2 structures by 0.01 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 2.0-4.2 3.8=91, 3.0/3551=29...(23) * HB2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-4.2 3.8=91, 3534/3.0=27...(21) HG LEU 103 - HD2 ARG 79 far 5 94 5 - 4.2-13.0 HG LEU 103 - HD3 ARG 79 far 0 94 0 - 5.1-12.9 HB2 LEU 103 - HD3 ARG 79 far 0 96 0 - 6.3-13.0 HB2 LEU 103 - HD2 ARG 79 far 0 96 0 - 6.6-13.2 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 16 assignments used, quality = 1.00: * HB3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.4-4.2 3.8=100 HB3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.0-4.1 3.8=100 HB3 LYS 53 - HD2 ARG 79 far 0 75 0 - 5.0-7.4 HB3 LYS 53 - HD3 ARG 79 far 0 75 0 - 5.0-7.9 HB3 LEU 6 - HD2 ARG 79 far 0 100 0 - 7.3-13.4 HG2 LYS 68 - HD3 ARG 79 far 0 98 0 - 7.8-13.2 HD3 LYS 68 - HD3 ARG 79 far 0 100 0 - 7.8-12.9 HB3 LEU 6 - HD3 ARG 79 far 0 100 0 - 8.1-14.1 HD3 LYS 68 - HD2 ARG 79 far 0 100 0 - 8.2-12.5 HB ILE 76 - HD3 ARG 79 far 0 99 0 - 8.3-11.1 HB ILE 76 - HD2 ARG 79 far 0 99 0 - 8.4-11.4 HG2 LYS 68 - HD2 ARG 79 far 0 98 0 - 8.6-12.9 HD2 LYS 68 - HD3 ARG 79 far 0 100 0 - 9.0-14.3 HB ILE 52 - HD2 ARG 79 far 0 95 0 - 9.4-12.5 HD2 LYS 68 - HD2 ARG 79 far 0 100 0 - 9.5-14.0 HB ILE 52 - HD3 ARG 79 far 0 96 0 - 9.9-12.5 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 16 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 2.2-3.0 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 53 - HD3 ARG 79 far 9 94 10 - 3.9-8.0 HD3 LYS 53 - HD2 ARG 79 far 5 94 5 - 2.7-6.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.0-9.1 HB3 LEU 103 - HD2 ARG 79 far 0 98 0 - 5.9-12.9 HB2 LEU 3 - HD3 ARG 79 far 0 93 0 - 6.1-11.8 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.2-9.7 HB3 LEU 103 - HD3 ARG 79 far 0 99 0 - 6.5-13.0 HB2 LEU 3 - HD2 ARG 79 far 0 93 0 - 7.0-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.4-12.7 HG LEU 57 - HD3 ARG 79 far 0 71 0 - 8.4-12.7 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 8.5-13.3 HG LEU 57 - HD2 ARG 79 far 0 71 0 - 8.9-13.1 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 16 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 2.3-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 53 - HD3 ARG 79 far 9 95 10 - 3.9-8.0 HD3 LYS 53 - HD2 ARG 79 far 5 95 5 - 2.7-6.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.0-9.1 HB3 LEU 103 - HD2 ARG 79 far 0 98 0 - 5.9-12.9 HB2 LEU 3 - HD3 ARG 79 far 0 94 0 - 6.1-11.8 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.2-9.7 HB3 LEU 103 - HD3 ARG 79 far 0 98 0 - 6.5-13.0 HB2 LEU 3 - HD2 ARG 79 far 0 94 0 - 7.0-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.4-12.7 HG LEU 57 - HD3 ARG 79 far 0 70 0 - 8.4-12.7 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 8.5-13.3 HG LEU 57 - HD2 ARG 79 far 0 69 0 - 8.9-13.1 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 4.4-6.2 7299/3.8=97, 7298/5.3=92...(14) H THR 80 + HD2 ARG 79 OK 100 100 100 100 4.7-6.1 7299/3.8=97, 7298/5.3=92...(14) 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 1 assignment used, quality = 1.00: * H THR 80 + HA THR 80 OK 100 100 100 100 2.9-2.9 2.9=100 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 2.9-3.0 3.0=100 HA3 GLY 100 - HA ILE 52 far 0 38 0 - 8.0-9.1 HA LEU 42 - HA ILE 52 far 0 53 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (0.98, 5.33, 59.69 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 80 + HA THR 80 OK 100 100 100 100 2.0-2.4 3.2=100 HG LEU 55 - HA THR 80 far 0 96 0 - 4.6-5.8 QG1 VAL 83 - HA THR 80 far 0 77 0 - 6.9-7.3 QG2 VAL 5 - HA THR 80 far 0 70 0 - 7.4-9.0 QG2 VAL 83 - HA THR 80 far 0 95 0 - 7.4-8.2 QG2 VAL 5 - HA ILE 52 far 0 41 0 - 8.0-8.8 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 2.1-2.2 7311=100, 7313/3.2=42...(18) H LYS 82 - HA THR 80 far 0 63 0 - 5.5-6.4 H ILE 8 - HA THR 80 far 0 59 0 - 7.8-9.1 H SER 59 - HA THR 80 far 0 59 0 - 9.0-10.2 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 2 assignments used, quality = 1.00: * H THR 80 + HB THR 80 OK 100 100 100 100 2.6-3.3 7306=100, 7307/2.1=71...(10) H GLU 63 - HB THR 80 far 0 73 0 - 9.4-10.3 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 2.9-3.0 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 HG LEU 55 - HB THR 80 far 0 96 0 - 7.4-8.7 QG1 VAL 83 - HB THR 80 far 0 77 0 - 7.8-8.8 QG2 VAL 83 - HB THR 80 far 0 95 0 - 8.8-9.7 QG2 VAL 5 - HB THR 80 far 0 70 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (8.76, 3.68, 69.77 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 81 + HB THR 80 OK 100 100 100 100 3.7-4.1 7312=100, 7313/2.1=83...(17) H LYS 82 - HB THR 80 far 0 63 0 - 5.0-6.7 H SER 59 - HB THR 80 far 0 59 0 - 9.3-11.0 H ILE 8 - HB THR 80 far 0 59 0 - 9.6-10.9 Violated in 17 structures by 0.09 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 3.6-4.0 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 - 7.6-8.6 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 2.0-2.4 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 - 9.3-10.3 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 2.3-3.5 7313=100, 7311/3.2=65...(23) H LYS 82 - QG2 THR 80 poor 19 63 30 - 4.0-5.1 H ILE 8 - QG2 THR 80 far 0 59 0 - 6.2-7.5 H SER 59 - QG2 THR 80 far 0 59 0 - 6.3-7.7 Violated in 0 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 2.3-3.0 3.0=100 HG LEU 55 - HA ARG 81 far 0 73 0 - 5.8-7.4 QG2 VAL 83 - HA ARG 81 far 0 75 0 - 6.3-6.9 QG2 VAL 5 - HA ARG 81 far 0 97 0 - 8.8-10.9 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 2.5-3.0 3.0=100 HG2 LYS 82 - HA ARG 81 far 0 100 0 - 6.0-6.6 HB3 LEU 55 - HA ARG 81 far 0 77 0 - 8.3-9.6 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 2.6-4.0 3.9=100 QD1 LEU 55 + HA ARG 81 OK 64 99 65 99 4.2-5.7 9280/3.0=56, 9257=46...(18) 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 14 assignments used, quality = 1.00: * HG3 ARG 81 + HA ARG 81 OK 99 100 100 99 2.4-3.9 3.9=74, 3.0/3629=50...(16) QD1 LEU 64 + HA ARG 81 OK 98 100 100 98 2.6-4.0 7328/7324=59, 9483=39...(19) QG1 VAL 58 - HA ARG 81 far 0 93 0 - 5.2-6.6 QD1 ILE 56 - HA ARG 81 far 0 73 0 - 6.4-8.5 QG2 VAL 78 - HA ARG 81 far 0 94 0 - 6.8-10.0 QD1 ILE 8 - HA ARG 81 far 0 77 0 - 7.4-9.0 QG1 VAL 78 - HA ARG 81 far 0 100 0 - 7.5-10.4 QG1 VAL 5 - HA ARG 81 far 0 98 0 - 8.0-9.2 HG13 ILE 56 - HA ARG 81 far 0 85 0 - 8.0-9.9 QD2 LEU 14 - HA ARG 81 far 0 75 0 - 9.1-10.2 QG1 VAL 54 - HA ARG 81 far 0 90 0 - 9.2-10.3 QD1 ILE 93 - HA ARG 81 far 0 77 0 - 9.3-10.5 HG13 ILE 93 - HA ARG 81 far 0 100 0 - 9.4-13.2 QD1 LEU 6 - HA ARG 81 far 0 75 0 - 10.0-11.2 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 2.1-4.1 3620=99, 1.8/3629=82...(16) HB3 LYS 82 + HA ARG 81 OK 52 59 95 92 4.4-5.0 4.0/7324=63, 1.8/9743=46...(11) HB ILE 56 - HA ARG 81 far 0 61 0 - 5.6-7.0 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 1 assignment used, quality = 1.00: * HD3 ARG 81 + HA ARG 81 OK 100 100 100 100 2.0-3.4 3629=100, 1.8/3620=70...(18) 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 2.1-2.3 7324=100, 7325/3.0=39...(15) 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 2.8-3.9 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 - 8.5-11.0 H SER 59 - HB2 ARG 81 far 0 59 0 - 9.0-10.8 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 2.3-3.0 3.0=100 HA SER 102 - HB2 ARG 81 far 0 94 0 - 7.8-18.6 HA ASP 61 - HB2 ARG 81 far 0 100 0 - 9.9-11.1 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 4 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 - 6.6-8.9 HG2 LYS 82 - HB2 ARG 81 far 0 100 0 - 7.1-8.3 HG2 ARG 91 - HB2 ARG 81 far 0 92 0 - 8.6-13.0 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 99 3.5-4.7 9280/4.0=52, 9257/3.0=47...(20) 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 15 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 29 100 30 95 4.4-6.0 7328/7325=65...(12) QG1 VAL 58 - HB2 ARG 81 far 0 93 0 - 5.8-7.6 QG1 VAL 5 - HB2 ARG 81 far 0 98 0 - 6.3-8.6 QD1 ILE 93 - HB2 ARG 81 far 0 77 0 - 6.9-9.8 QD1 ILE 56 - HB2 ARG 81 far 0 73 0 - 7.0-9.0 QD1 ILE 8 - HB2 ARG 81 far 0 77 0 - 7.2-10.1 QG2 VAL 78 - HB2 ARG 81 far 0 94 0 - 7.3-10.9 HG13 ILE 56 - HB2 ARG 81 far 0 85 0 - 7.5-10.7 HG13 ILE 93 - HB2 ARG 81 far 0 100 0 - 7.7-11.7 QG1 VAL 78 - HB2 ARG 81 far 0 100 0 - 8.2-11.3 QD2 LEU 14 - HB2 ARG 81 far 0 75 0 - 8.2-10.1 QG1 VAL 54 - HB2 ARG 81 far 0 90 0 - 8.7-10.4 QG2 ILE 93 - HB2 ARG 81 far 0 99 0 - 9.2-10.9 QD1 LEU 6 - HB2 ARG 81 far 0 75 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (1.73, 0.93, 33.91 ppm; 5.21 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.1-3.7 3.4=100 HB3 LYS 82 + HB2 ARG 81 OK 48 59 85 95 5.6-6.3 4.0/7325=78, ~9743=51...(5) HB ILE 56 - HB2 ARG 81 far 6 61 10 - 5.9-8.1 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 2.1-3.9 3.4=100 HG2 GLU 95 - HB2 ARG 81 far 0 63 0 - 7.9-12.3 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 2.8-3.9 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 2.4-3.9 4.0=100 H LYS 82 + HB3 ARG 81 OK 63 63 100 100 2.6-4.5 4.3=100 H ILE 8 - HB3 ARG 81 far 0 59 0 - 8.4-9.7 H SER 59 - HB3 ARG 81 far 0 59 0 - 8.9-10.2 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 2.5-3.0 3.0=100 HA SER 102 - HB3 ARG 81 far 0 94 0 - 7.2-18.1 HA ASP 61 - HB3 ARG 81 far 0 100 0 - 9.4-11.6 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 33 73 50 90 3.2-6.1 2.1/3596=26, ~9257=21...(18) QG2 VAL 83 - HB3 ARG 81 far 0 75 0 - 5.1-6.4 QG2 VAL 5 - HB3 ARG 81 far 0 97 0 - 6.5-9.1 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 2.3-3.0 2.9=100 QD1 LEU 55 + HB3 ARG 81 OK 99 99 100 99 2.1-5.1 9280/7316=50...(18) Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (0.74, 1.06, 33.91 ppm; 4.57 A): 2 out of 17 assignments used, quality = 1.00: * HG3 ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.2-3.0 2.9=100 QD1 LEU 64 + HB3 ARG 81 OK 44 100 45 97 4.6-6.2 7328/4.3=63, 9483/3.0=43...(13) QG1 VAL 5 - HB3 ARG 81 far 0 98 0 - 5.8-7.9 QG1 VAL 58 - HB3 ARG 81 far 0 93 0 - 5.8-7.1 QG2 VAL 78 - HB3 ARG 81 far 0 94 0 - 6.4-9.8 HG13 ILE 93 - HB3 ARG 81 far 0 100 0 - 6.4-10.5 QD1 ILE 56 - HB3 ARG 81 far 0 73 0 - 6.7-8.2 QD1 ILE 93 - HB3 ARG 81 far 0 77 0 - 6.8-8.5 QG1 VAL 78 - HB3 ARG 81 far 0 100 0 - 7.0-11.0 HG13 ILE 56 - HB3 ARG 81 far 0 85 0 - 7.2-10.0 QD1 ILE 8 - HB3 ARG 81 far 0 77 0 - 7.5-9.5 QD2 LEU 14 - HB3 ARG 81 far 0 75 0 - 7.6-9.2 QG1 VAL 54 - HB3 ARG 81 far 0 90 0 - 7.9-10.3 QG2 ILE 93 - HB3 ARG 81 far 0 99 0 - 8.1-10.6 QD1 LEU 27 - HB3 ARG 81 far 0 79 0 - 9.2-12.0 QD1 LEU 6 - HB3 ARG 81 far 0 75 0 - 9.2-11.1 QD2 LEU 42 - HB3 ARG 81 far 0 82 0 - 9.7-12.1 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 2.3-4.2 3.4=100 HB3 LYS 82 + HB3 ARG 81 OK 52 59 90 97 5.1-6.9 7329/4.3=70, ~9743=64...(6) HB ILE 56 + HB3 ARG 81 OK 28 61 90 50 5.6-7.3 7319/7316=41, 9302/2338=14 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 2.5-3.9 3.4=100 HG2 GLU 95 - HB3 ARG 81 far 0 63 0 - 7.8-12.3 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 2.6-4.5 4.3=100 H ARG 81 + HB3 ARG 81 OK 63 63 100 100 2.4-3.9 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 2.6-4.8 4.9=100 H LYS 82 + HG2 ARG 81 OK 63 63 100 100 4.4-5.3 4.8=100 H ILE 8 - HG2 ARG 81 far 0 59 0 - 9.9-11.6 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 2 assignments used, quality = 1.00: * HA ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.6-4.0 3.9=100 HA SER 102 - HG2 ARG 81 far 0 94 0 - 6.8-17.5 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 20 73 30 92 3.7-7.1 ~3614=26, ~9253=26...(19) QG2 VAL 83 - HG2 ARG 81 far 0 75 0 - 5.7-8.1 QG2 VAL 5 - HG2 ARG 81 far 0 97 0 - 6.8-9.9 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 4 assignments used, quality = 1.00: * HB3 ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 55 - HG2 ARG 81 far 0 77 0 - 5.5-8.7 HG2 LYS 82 - HG2 ARG 81 far 0 100 0 - 8.3-9.5 HG2 ARG 91 - HG2 ARG 81 far 0 92 0 - 9.5-15.1 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): 1 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 far 0 100 0 - 4.6-6.5 QG2 VAL 78 - HG2 ARG 81 far 0 94 0 - 5.5-8.8 QG1 VAL 78 - HG2 ARG 81 far 0 100 0 - 5.8-11.1 QD1 ILE 56 - HG2 ARG 81 far 0 73 0 - 5.9-9.5 QG1 VAL 58 - HG2 ARG 81 far 0 93 0 - 6.3-8.9 QG1 VAL 5 - HG2 ARG 81 far 0 98 0 - 6.4-8.8 HG13 ILE 56 - HG2 ARG 81 far 0 85 0 - 6.6-11.4 QG1 VAL 54 - HG2 ARG 81 far 0 90 0 - 7.3-10.5 HG13 ILE 93 - HG2 ARG 81 far 0 100 0 - 7.8-12.2 QD1 ILE 8 - HG2 ARG 81 far 0 77 0 - 8.0-10.2 QD1 ILE 93 - HG2 ARG 81 far 0 77 0 - 8.1-10.2 QD2 LEU 14 - HG2 ARG 81 far 0 75 0 - 8.8-11.3 QG2 ILE 93 - HG2 ARG 81 far 0 99 0 - 8.8-11.2 QD1 LEU 6 - HG2 ARG 81 far 0 75 0 - 8.9-11.8 QD2 LEU 42 - HG2 ARG 81 far 0 82 0 - 8.9-12.8 QD1 LEU 27 - HG2 ARG 81 far 0 79 0 - 9.6-11.6 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 2.2-3.0 3.0=100 HB ILE 56 - HG2 ARG 81 far 0 61 0 - 5.7-8.8 HB3 LYS 82 - HG2 ARG 81 far 0 59 0 - 6.6-7.8 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 2.3-3.0 3.0=100 HG2 GLU 95 - HG2 ARG 81 far 0 63 0 - 8.0-13.1 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 4.4-5.3 4.8=100 H ARG 81 + HG2 ARG 81 OK 63 63 100 100 2.6-4.8 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 4 assignments used, quality = 1.00: * H ARG 81 + HG3 ARG 81 OK 100 100 100 100 3.9-4.5 4.9=97, 7316/2.9=84...(13) H LYS 82 + HG3 ARG 81 OK 48 63 75 100 3.4-5.8 4.8=100 H SER 59 - HG3 ARG 81 far 0 59 0 - 8.7-12.1 H ILE 8 - HG3 ARG 81 far 0 59 0 - 8.8-11.6 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 3 assignments used, quality = 1.00: * HA ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.4-3.9 3.9=100 HA SER 102 - HG3 ARG 81 far 0 94 0 - 5.4-16.4 HA ASP 61 - HG3 ARG 81 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (0.93, 0.74, 25.88 ppm; 3.80 A): 1 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 poor 18 73 25 - 3.7-7.7 QG2 VAL 83 - HG3 ARG 81 far 4 75 5 - 4.6-7.9 QG2 VAL 5 - HG3 ARG 81 far 0 97 0 - 6.4-10.6 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 4 assignments used, quality = 1.00: * HB3 ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 55 - HG3 ARG 81 far 0 77 0 - 5.3-9.2 HG2 LYS 82 - HG3 ARG 81 far 0 100 0 - 6.7-9.9 HG2 ARG 91 - HG3 ARG 81 far 0 92 0 - 8.3-13.5 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 3 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 78 99 90 88 1.9-4.6 9271=27, 9253/3.0=18...(20) QD1 LEU 3 - HG3 ARG 81 far 0 68 0 - 9.5-13.0 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 2.4-3.0 3.0=100 HB3 LYS 82 - HG3 ARG 81 far 3 59 5 - 5.2-8.2 HB ILE 56 - HG3 ARG 81 far 0 61 0 - 6.6-8.4 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 2.3-3.0 3.0=100 HG2 GLU 95 - HG3 ARG 81 far 0 63 0 - 6.6-12.1 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 3.4-5.8 4.8=100 H ARG 81 + HG3 ARG 81 OK 63 63 100 100 3.9-4.5 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 2.9-5.6 3.0/3620=87, 7316/3.4=85...(14) H LYS 82 + HD2 ARG 81 OK 63 63 100 99 2.1-5.9 3.6/3620=79, 7330/1.8=50...(8) H SER 59 - HD2 ARG 81 far 0 59 0 - 9.1-13.0 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 2.1-4.1 3629/1.8=82, 3580=66...(16) HA SER 102 - HD2 ARG 81 far 0 94 0 - 6.0-17.7 HA ASP 61 - HD2 ARG 81 far 0 100 0 - 8.6-12.6 Violated in 1 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 2.1-3.7 3.4=100 QG2 VAL 83 - HD2 ARG 81 far 0 75 0 - 5.8-9.1 HG LEU 55 - HD2 ARG 81 far 0 73 0 - 5.8-8.0 QG2 VAL 5 - HD2 ARG 81 far 0 97 0 - 8.4-11.0 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 4 assignments used, quality = 1.00: * HB3 ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.3-4.2 3.4=100 HG2 LYS 82 - HD2 ARG 81 far 0 100 0 - 6.2-10.4 HB3 LEU 55 - HD2 ARG 81 far 0 77 0 - 6.9-10.3 HG2 ARG 91 - HD2 ARG 81 far 0 92 0 - 9.5-15.7 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 2.2-3.0 3.0=100 QD1 LEU 55 + HD2 ARG 81 OK 50 99 55 92 2.9-5.6 9253/1.8=33, 3614/3.0=31...(16) 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 16 assignments used, quality = 1.00: * HG3 ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 64 + HD2 ARG 81 OK 22 100 30 72 3.7-6.5 3579/3620=24...(9) QG2 VAL 78 - HD2 ARG 81 far 0 94 0 - 5.5-11.3 QG1 VAL 78 - HD2 ARG 81 far 0 100 0 - 6.8-11.6 QD1 ILE 56 - HD2 ARG 81 far 0 73 0 - 6.8-9.7 HG13 ILE 56 - HD2 ARG 81 far 0 85 0 - 6.9-11.1 QG1 VAL 58 - HD2 ARG 81 far 0 93 0 - 6.9-9.5 QG1 VAL 5 - HD2 ARG 81 far 0 98 0 - 7.6-10.0 QG1 VAL 54 - HD2 ARG 81 far 0 90 0 - 8.1-11.3 QD1 ILE 8 - HD2 ARG 81 far 0 77 0 - 8.8-11.6 HG13 ILE 93 - HD2 ARG 81 far 0 100 0 - 8.9-14.2 QD2 LEU 14 - HD2 ARG 81 far 0 75 0 - 9.0-12.6 QD1 ILE 93 - HD2 ARG 81 far 0 77 0 - 9.1-11.5 QD1 LEU 6 - HD2 ARG 81 far 0 75 0 - 9.4-12.4 QD1 LEU 27 - HD2 ARG 81 far 0 79 0 - 9.6-13.3 QG2 ILE 93 - HD2 ARG 81 far 0 99 0 - 9.6-12.7 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 - 8.3-13.1 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 2.1-5.9 7330/1.8=97...(8) H ARG 81 + HD2 ARG 81 OK 63 63 100 100 2.9-5.6 3.0/3620=92, ~3629=73...(14) 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 2 assignments used, quality = 1.00: * H ARG 81 + HD3 ARG 81 OK 100 100 100 100 3.7-5.6 3.0/3629=84, 7316/3.4=79...(14) H LYS 82 + HD3 ARG 81 OK 62 63 100 98 3.6-4.7 3.6/3629=76, 7330=53...(9) 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 2.0-3.4 3581=94, 3620/1.8=68...(18) HA SER 102 - HD3 ARG 81 far 0 94 0 - 7.6-18.6 HA ASP 61 - HD3 ARG 81 far 0 100 0 - 9.4-11.7 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 2.1-3.9 3.4=100 HG LEU 55 - HD3 ARG 81 far 0 73 0 - 6.1-8.1 QG2 VAL 83 - HD3 ARG 81 far 0 75 0 - 6.7-8.5 QG2 VAL 5 - HD3 ARG 81 far 0 97 0 - 8.8-11.2 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 4 assignments used, quality = 1.00: * HB3 ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.5-3.9 3.4=100 HG2 LYS 82 - HD3 ARG 81 far 0 100 0 - 8.0-9.1 HB3 LEU 55 - HD3 ARG 81 far 0 77 0 - 8.0-10.4 HG2 ARG 91 - HD3 ARG 81 far 0 92 0 - 9.1-15.6 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 2.3-3.0 3.0=100 QD1 LEU 55 + HD3 ARG 81 OK 48 99 50 96 4.1-5.9 9253=35, 3614/3.0=32...(18) 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 13 assignments used, quality = 1.00: * HG3 ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.3-3.0 3.0=100 QD1 LEU 64 + HD3 ARG 81 OK 20 100 25 81 3.8-5.9 7328/7330=45...(8) QG2 VAL 78 - HD3 ARG 81 far 0 94 0 - 6.2-10.8 QG1 VAL 58 - HD3 ARG 81 far 0 93 0 - 7.3-9.0 QD1 ILE 56 - HD3 ARG 81 far 0 73 0 - 7.6-10.0 QG1 VAL 78 - HD3 ARG 81 far 0 100 0 - 7.9-11.7 HG13 ILE 56 - HD3 ARG 81 far 0 85 0 - 8.0-11.8 QG1 VAL 5 - HD3 ARG 81 far 0 98 0 - 8.3-10.2 QD1 ILE 8 - HD3 ARG 81 far 0 77 0 - 9.1-11.2 HG13 ILE 93 - HD3 ARG 81 far 0 100 0 - 9.2-14.1 QD1 ILE 93 - HD3 ARG 81 far 0 77 0 - 9.3-11.2 QG1 VAL 54 - HD3 ARG 81 far 0 90 0 - 9.4-11.5 QD2 LEU 14 - HD3 ARG 81 far 0 75 0 - 10.0-11.8 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 0 59 0 - 5.5-7.2 HB ILE 56 - HD3 ARG 81 far 0 61 0 - 7.3-9.0 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 3.6-4.7 7330=100, 7324/3629=86...(9) H ARG 81 + HD3 ARG 81 OK 63 63 100 100 3.7-5.6 3.0/3629=85, ~3620=57...(14) 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 4.5-4.8 ~7324=51, 4.2/9711=38...(15) 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 2.4-2.7 3.0=100 QB ALA 67 - HA LYS 82 far 0 100 0 - 5.9-6.8 QB ALA 89 - HA LYS 82 far 0 100 0 - 5.9-7.6 HG3 LYS 68 - HA LYS 82 far 0 100 0 - 7.9-11.5 HG12 ILE 8 - HA LYS 82 far 0 92 0 - 8.4-9.4 HG LEU 14 - HA LYS 82 far 0 100 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (1.76, 4.70, 54.96 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 82 + HA LYS 82 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 ARG 81 - HA LYS 82 far 3 59 5 - 4.1-8.1 HB3 GLU 63 - HA LYS 82 far 0 97 0 - 5.9-6.3 HB ILE 56 - HA LYS 82 far 0 100 0 - 6.2-7.3 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, 9803/10228=38...(15) 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 2.3-3.1 7332=100, 7333/1.8=91...(17) H ARG 81 - HB2 LYS 82 far 0 63 0 - 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 2.4-2.7 3.0=100 HA LEU 55 - HB3 ARG 30 far 0 40 0 - 9.7-11.7 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 - 4.6-8.8 HB3 GLU 63 - HB2 LYS 82 far 0 97 0 - 5.1-6.6 HB2 GLU 28 - HB3 ARG 30 far 0 50 0 - 5.4-7.8 HB ILE 56 - HB2 LYS 82 far 0 100 0 - 6.9-8.3 HG3 ARG 19 - HB3 ARG 30 far 0 62 0 - 8.2-11.3 HB VAL 78 - HB3 ARG 30 far 0 55 0 - 9.6-13.5 HB ILE 56 - HB3 ARG 30 far 0 62 0 - 9.7-11.9 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 2.2-3.0 2.9=100 HB3 ARG 81 - HB2 LYS 82 far 0 100 0 - 5.4-6.7 HB3 LEU 55 - HB3 ARG 30 far 0 35 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 3653 from cnoeabs.peaks (1.14, 1.34, 32.60 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.5-3.0 2.9=100 QG2 THR 31 - HB3 ARG 30 far 0 62 0 - 4.8-6.1 HB2 LEU 29 - HB3 ARG 30 far 0 50 0 - 6.1-7.4 HG2 LYS 40 - HB3 ARG 30 far 0 52 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 3654 from cnoeabs.peaks (1.46, 1.34, 32.60 ppm; 3.76 A): 2 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 3.6-3.9 3.5=100 HB3 LEU 64 + HB2 LYS 82 OK 75 75 100 100 2.0-3.3 3.1/10252=58...(26) HG LEU 64 - HB2 LYS 82 poor 18 91 20 - 4.1-5.2 HG LEU 29 - HB3 ARG 30 poor 10 48 20 - 4.6-5.5 QB ALA 22 - HB3 ARG 30 far 0 48 0 - 6.9-8.4 HD3 LYS 40 - HB3 ARG 30 far 0 61 0 - 7.6-11.2 HB2 LEU 38 - HB3 ARG 30 far 0 62 0 - 8.0-10.4 HD2 LYS 40 - HB3 ARG 30 far 0 61 0 - 8.0-12.2 HG12 ILE 7 - HB2 LYS 82 far 0 68 0 - 8.7-9.8 HG LEU 38 - HB3 ARG 30 far 0 62 0 - 8.8-10.8 HG12 ILE 7 - HB3 ARG 30 far 0 35 0 - 9.2-10.2 HB2 LEU 27 - HB3 ARG 30 far 0 62 0 - 9.2-11.5 HG2 LYS 66 - HB2 LYS 82 far 0 73 0 - 9.6-12.1 HG13 ILE 52 - HB3 ARG 30 far 0 62 0 - 10.0-11.8 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 12 assignments used, quality = 1.00: * HD3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.5-3.6 3.5=98, 3.0/3657=39...(24) HG3 ARG 30 + HB3 ARG 30 OK 34 34 100 100 2.4-3.0 2.9=100 HB2 ARG 30 + HB3 ARG 30 OK 32 32 100 100 1.8-1.8 1.8=100 HB3 LEU 29 - HB3 ARG 30 far 0 41 0 - 6.0-7.0 HB3 GLU 28 - HB3 ARG 30 far 0 62 0 - 6.2-8.7 HG12 ILE 56 - HB3 ARG 30 far 0 35 0 - 7.0-11.7 HG2 ARG 19 - HB3 ARG 30 far 0 53 0 - 7.2-11.2 HG2 LYS 33 - HB3 ARG 30 far 0 54 0 - 8.5-10.3 HG12 ILE 56 - HB2 LYS 82 far 0 68 0 - 8.6-10.7 HG2 ARG 79 - HB2 LYS 82 far 0 73 0 - 9.5-13.0 HB2 ARG 79 - HB2 LYS 82 far 0 70 0 - 9.5-11.7 HG3 ARG 79 - HB2 LYS 82 far 0 75 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3656 from cnoeabs.peaks (2.74, 1.34, 32.60 ppm; 4.89 A): 1 out of 5 assignments used, quality = 1.00: * HE2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.7-4.6 4.8=100 HE2 LYS 40 - HB3 ARG 30 far 0 41 0 - 6.1-11.7 HE3 LYS 40 - HB3 ARG 30 far 0 40 0 - 6.2-11.3 HB3 ASP 61 - HB2 LYS 82 far 0 100 0 - 6.4-7.5 HB2 ASP 65 - HB2 LYS 82 far 0 87 0 - 7.0-9.2 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 2.4-4.1 3668/1.8=88, 4.8=82...(15) HB2 ASN 60 - HB2 LYS 82 far 0 63 0 - 6.6-8.0 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 4.0-4.3 7343/3.0=86, 4.6=85...(14) H ARG 30 + HB3 ARG 30 OK 54 54 100 100 2.4-3.8 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 2.3-2.9 7333=100, 7332/1.8=84...(15) 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 3.0-3.0 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 4 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 67 - HB3 LYS 82 far 0 100 0 - 7.1-8.6 QB ALA 89 - HB3 LYS 82 far 0 100 0 - 8.1-9.5 HG3 LYS 68 - HB3 LYS 82 far 0 100 0 - 8.3-11.7 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 2.4-3.0 2.9=100 HB3 ARG 81 - HB3 LYS 82 far 0 100 0 - 5.1-6.9 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 2.4-3.0 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 3.5-3.7 3.5=100 HB3 LEU 64 + HB3 LYS 82 OK 71 75 95 99 3.4-4.9 3.1/10253=50...(18) HG LEU 64 - HB3 LYS 82 far 0 91 0 - 5.2-6.9 HG12 ILE 7 - HB3 LYS 82 far 0 68 0 - 9.4-10.2 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 3 assignments used, quality = 1.00: * HD3 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.4-3.1 3.5=100 HG12 ILE 56 - HB3 LYS 82 far 0 68 0 - 9.8-12.0 HB2 ARG 79 - HB3 LYS 82 far 0 70 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (2.74, 1.76, 32.60 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.2-3.7 3717=100, 1.8/3668=91...(22) HB3 ASP 61 - HB3 LYS 82 far 0 100 0 - 6.3-8.0 HB2 ASP 65 - HB3 LYS 82 far 0 87 0 - 8.1-10.7 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 2.0-3.0 1.8/3717=75, 3657/1.8=65...(18) HB2 ASN 60 - HB3 LYS 82 far 0 63 0 - 7.5-8.7 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 3.7-4.3 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): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HG2 LYS 82 OK 100 100 100 100 4.2-4.8 5.1=100 H ARG 81 - HG2 LYS 82 far 0 63 0 - 6.7-7.7 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 2.6-3.3 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 6 assignments used, quality = 1.00: * HB2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.2-3.0 2.9=100 QB ALA 67 - HG2 LYS 82 far 0 100 0 - 6.4-8.3 QB ALA 89 - HG2 LYS 82 far 0 100 0 - 7.1-9.2 HG3 LYS 68 - HG2 LYS 82 far 0 100 0 - 8.1-12.3 HG12 ILE 8 - HG2 LYS 82 far 0 92 0 - 8.7-11.6 HG LEU 14 - HG2 LYS 82 far 0 100 0 - 9.5-11.6 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 4 assignments used, quality = 1.00: * HB3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLU 63 + HG2 LYS 82 OK 57 97 80 74 4.0-6.9 9414/9418=29...(8) HD2 ARG 81 - HG2 LYS 82 far 0 59 0 - 6.2-10.4 HB ILE 56 - HG2 LYS 82 far 0 100 0 - 7.9-10.2 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): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 LEU 64 + HG2 LYS 82 OK 75 75 100 100 2.9-5.1 9383/9761=39...(26) HG LEU 64 - HG2 LYS 82 far 0 91 0 - 5.4-7.3 HG12 ILE 7 - HG2 LYS 82 far 0 68 0 - 7.8-9.5 HG2 LYS 66 - HG2 LYS 82 far 0 73 0 - 9.6-12.3 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 2 assignments used, quality = 1.00: * HD3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-3.0 2.9=100 HG12 ILE 56 - HG2 LYS 82 far 0 68 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (2.74, 1.06, 25.00 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-4.0 3.9=100 HB3 ASP 61 - HG2 LYS 82 far 0 100 0 - 5.4-8.4 HB2 ASP 65 - HG2 LYS 82 far 0 87 0 - 7.5-9.8 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 2.4-3.8 3.9=100 HB2 ASN 60 + HG2 LYS 82 OK 47 63 80 93 4.9-7.6 4.0/9418=49, ~10938=44...(7) 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 2.8-3.8 7346=100, 7347/1.8=88...(16) 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 4.2-4.6 5.1=100 H ARG 81 - HG3 LYS 82 far 0 63 0 - 7.0-7.7 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 2.5-3.3 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 9 assignments used, quality = 1.00: * HB2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 40 + HG2 LYS 40 OK 43 43 100 100 1.8-1.8 1.8=100 QB ALA 89 - HG3 LYS 82 far 0 100 0 - 6.9-8.3 HG2 LYS 39 - HG2 LYS 40 far 0 49 0 - 7.2-9.3 QB ALA 67 - HG3 LYS 82 far 0 100 0 - 7.2-8.4 HB3 ARG 30 - HG2 LYS 40 far 0 34 0 - 8.1-10.2 HG LEU 14 - HG3 LYS 82 far 0 100 0 - 8.7-10.5 HG3 LYS 68 - HG3 LYS 82 far 0 100 0 - 9.4-12.8 HG12 ILE 8 - HG3 LYS 82 far 0 92 0 - 9.7-11.3 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 2.4-3.0 2.9=100 HB3 GLU 63 - HG3 LYS 82 far 0 97 0 - 5.3-6.9 HD2 ARG 81 - HG3 LYS 82 far 0 59 0 - 5.4-10.0 HB2 LYS 39 - HG2 LYS 40 far 0 28 0 - 6.9-8.0 HB ILE 56 - HG3 LYS 82 far 0 100 0 - 8.5-10.4 HG3 ARG 46 - HG2 LYS 40 far 0 38 0 - 9.2-12.9 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 - 6.5-8.0 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): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.4-2.7 2.9=100 HD2 LYS 40 + HG2 LYS 40 OK 49 49 100 100 2.2-3.0 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 48 48 100 100 2.4-3.0 3.0=100 HB3 LEU 64 - HG3 LYS 82 far 8 75 10 - 4.3-5.3 HG3 LYS 39 - HG2 LYS 40 far 0 42 0 - 6.1-9.2 HG LEU 64 - HG3 LYS 82 far 0 91 0 - 6.9-7.9 HG12 ILE 7 - HG3 LYS 82 far 0 68 0 - 7.7-9.5 HG LEU 38 - HG2 LYS 40 far 0 49 0 - 8.4-11.2 HB2 LEU 38 - HG2 LYS 40 far 0 49 0 - 8.7-9.8 HG2 LYS 47 - HG2 LYS 40 far 0 30 0 - 8.9-13.1 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 2.4-3.0 2.9=100 HG3 ARG 30 - HG2 LYS 40 far 0 26 0 - 7.3-10.4 HB2 ARG 30 - HG2 LYS 40 far 0 25 0 - 8.0-9.5 HG2 LYS 33 - HG2 LYS 40 far 0 42 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3689 from cnoeabs.peaks (2.74, 1.14, 25.00 ppm; 4.39 A): 3 out of 5 assignments used, quality = 1.00: * HE2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.3-4.0 3.9=100 HE2 LYS 40 + HG2 LYS 40 OK 32 32 100 100 2.0-4.0 4.0=100 HE3 LYS 40 + HG2 LYS 40 OK 31 31 100 100 2.3-4.0 4.0=100 HB3 ASP 61 - HG3 LYS 82 far 0 100 0 - 6.1-8.5 HB2 ASP 65 - HG3 LYS 82 far 0 87 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 3690 from cnoeabs.peaks (2.85, 1.14, 25.00 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * HE3 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.2-3.8 3.9=100 HB2 ASN 60 - HG3 LYS 82 far 0 63 0 - 6.0-7.7 HE2 LYS 39 - HG2 LYS 40 far 0 43 0 - 7.0-11.3 HE3 LYS 39 - HG2 LYS 40 far 0 39 0 - 7.6-11.6 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 2.3-3.4 7347=100, 7346/1.8=91...(13) 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 5.9-6.1 5.8=100 H ARG 81 - HD2 LYS 82 far 0 63 0 - 9.0-9.2 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 4.7-5.0 5.1=96, 3704/1.8=83...(30) 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 14 assignments used, quality = 1.00: HG3 LYS 40 + HD2 LYS 40 OK 95 95 100 100 2.2-3.0 3.0=100 HG3 LYS 40 + HD3 LYS 40 OK 94 94 100 100 2.2-3.0 3.0=100 * HB2 LYS 82 + HD2 LYS 82 OK 84 100 85 98 3.6-3.9 3.5=59, 3655/1.8=31...(23) HG2 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.0-7.8 QB ALA 89 - HB2 ARG 91 far 0 34 0 - 5.8-7.3 HB3 ARG 30 - HD3 LYS 40 far 0 79 0 - 7.6-11.2 QB ALA 67 - HD2 LYS 82 far 0 100 0 - 7.6-8.7 HG2 LYS 39 - HD2 LYS 40 far 0 100 0 - 8.0-10.5 HG2 LYS 39 - HD3 LYS 40 far 0 99 0 - 8.0-10.6 HB3 ARG 30 - HD2 LYS 40 far 0 79 0 - 8.0-12.2 QB ALA 89 - HD2 LYS 82 far 0 100 0 - 8.8-10.3 HG LEU 14 - HB2 ARG 91 far 0 33 0 - 8.9-11.8 QB ALA 25 - HB2 ARG 91 far 0 34 0 - 9.0-10.3 HG3 LYS 68 - HD2 LYS 82 far 0 100 0 - 9.9-12.7 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 6 assignments used, quality = 1.00: * HB3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 3.5-3.7 3.5=100 HD2 LYS 90 - HB2 ARG 91 poor 9 25 35 - 3.4-7.3 HB3 GLU 63 - HD2 LYS 82 far 5 97 5 - 4.7-6.5 HB2 LYS 39 - HD3 LYS 40 far 0 68 0 - 5.8-8.5 HB2 LYS 39 - HD2 LYS 40 far 0 68 0 - 7.0-9.3 HD2 ARG 81 - HD2 LYS 82 far 0 59 0 - 7.1-11.7 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 2.3-2.5 2.9=100 HG2 ARG 91 + HB2 ARG 91 OK 30 30 100 100 2.3-2.9 2.8=100 HB3 ARG 81 - HD2 LYS 82 far 0 100 0 - 8.5-10.0 HB3 ARG 81 - HB2 ARG 91 far 0 33 0 - 8.6-11.8 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 7 assignments used, quality = 1.00: * HG3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.4-2.7 2.9=100 HG2 LYS 40 + HD2 LYS 40 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 90 90 100 100 2.4-3.0 3.0=100 QG2 THR 34 - HD3 LYS 40 far 0 62 0 - 6.8-8.9 QG2 THR 34 - HD2 LYS 40 far 0 62 0 - 7.4-9.6 QG2 THR 31 - HD3 LYS 40 far 0 99 0 - 9.2-12.0 QG2 THR 31 - HD2 LYS 40 far 0 100 0 - 9.5-13.2 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 8 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 - 5.0-8.3 HB2 ARG 30 - HD3 LYS 40 far 0 62 0 - 6.5-10.2 HG3 ARG 30 - HD2 LYS 40 far 0 64 0 - 6.5-12.1 HG3 ARG 30 - HD3 LYS 40 far 0 64 0 - 6.6-11.4 HB2 ARG 30 - HD2 LYS 40 far 0 62 0 - 6.9-11.4 HG2 LYS 33 - HD3 LYS 40 far 0 92 0 - 7.3-9.8 HG2 LYS 33 - HD2 LYS 40 far 0 93 0 - 7.4-11.3 Violated in 0 structures by 0.00 A. Peak 3700 from cnoeabs.peaks (2.74, 1.46, 28.90 ppm; 3.49 A): 5 out of 7 assignments used, quality = 1.00: * HE2 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 76 76 100 100 2.3-3.0 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 2.2-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 73 73 100 100 2.3-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 15 100 15 - 3.6-6.7 HB2 ASP 65 - HD2 LYS 82 far 0 87 0 - 8.0-10.2 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 2.6-3.0 3.0=100 HB2 ASN 60 - HD2 LYS 82 poor 13 63 20 - 4.7-6.0 HE2 LYS 39 - HD3 LYS 40 far 0 94 0 - 7.2-13.0 HE3 LYS 39 - HD2 LYS 40 far 0 88 0 - 7.3-13.0 HE2 LYS 39 - HD2 LYS 40 far 0 95 0 - 7.4-12.5 HE3 LYS 39 - HD3 LYS 40 far 0 88 0 - 7.4-12.2 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 2 assignments used, quality = 1.00: * H VAL 83 + HD2 LYS 82 OK 100 100 100 100 4.7-5.3 7346/2.9=99, 7347/2.9=99...(12) H VAL 83 - HB2 ARG 91 far 0 34 0 - 9.9-12.7 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 4.8-5.3 7337=100, 7333/3.5=97...(15) H ARG 81 - HD3 LYS 82 far 0 63 0 - 8.0-8.8 Violated in 0 structures by 0.00 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 4.4-4.6 5.1=90, 3693/1.8=77...(31) Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (1.34, 1.57, 28.90 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.5-3.6 3.5=100 QB ALA 67 - HD3 LYS 82 far 0 100 0 - 6.9-9.4 HG3 LYS 68 - HD3 LYS 82 far 0 100 0 - 8.7-12.7 QB ALA 89 - HD3 LYS 82 far 0 100 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 3706 from cnoeabs.peaks (1.76, 1.57, 28.90 ppm; 4.99 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.4-3.1 3.5=100 HB3 GLU 63 + HD3 LYS 82 OK 49 97 60 85 4.7-7.5 3673/2.9=31...(8) HD2 ARG 81 - HD3 LYS 82 far 3 59 5 - 5.8-11.0 HB ILE 56 - HD3 LYS 82 far 0 100 0 - 9.1-11.2 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 2.4-3.0 2.9=100 HB3 ARG 81 - HD3 LYS 82 far 0 100 0 - 7.6-9.2 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 2.4-3.0 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 11 75 15 - 3.2-5.9 HG LEU 64 - HD3 LYS 82 far 0 91 0 - 5.0-7.7 HG2 LYS 66 - HD3 LYS 82 far 0 73 0 - 9.5-14.4 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 2.2-3.0 3.0=100 HB3 ASP 61 + HD3 LYS 82 OK 36 100 40 90 3.8-7.4 3.0/9767=38, 4.0/9443=32...(11) HB2 ASP 65 - HD3 LYS 82 far 0 87 0 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 3712 from cnoeabs.peaks (2.85, 1.57, 28.90 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 60 - HD3 LYS 82 far 0 63 0 - 5.2-7.6 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 4.3-5.4 7349=100, 7346/2.9=94...(13) Violated in 2 structures by 0.00 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 4.5-6.0 9754/1.8=98...(15) H ARG 81 - HE2 LYS 82 far 0 63 0 - 8.0-9.7 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 4.5-5.4 3726/1.8=94, 3.0/3717=89...(25) Violated in 0 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 2.7-4.6 1.8/3717=81, 3657/1.8=71...(21) HG3 LYS 40 + HE2 LYS 40 OK 34 34 100 100 2.0-4.2 4.0=100 HB3 ARG 30 - HE2 LYS 40 far 0 26 0 - 6.1-11.7 QB ALA 67 - HE2 LYS 82 far 0 100 0 - 6.8-9.7 QB ALA 89 - HE2 LYS 82 far 0 100 0 - 8.2-11.2 HG2 LYS 39 - HE2 LYS 40 far 0 38 0 - 8.6-11.7 HG3 LYS 68 - HE2 LYS 82 far 0 100 0 - 8.7-14.0 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 2.2-3.7 3668/1.8=77, 3667=68...(22) HB3 GLU 63 - HE2 LYS 82 far 15 97 15 - 4.6-8.7 HB2 LYS 39 - HE2 LYS 40 far 0 21 0 - 6.2-10.2 HD2 ARG 81 - HE2 LYS 82 far 0 59 0 - 7.1-11.5 HB ILE 56 - HE2 LYS 82 far 0 100 0 - 9.3-11.7 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 2.4-4.0 3.9=100 HB3 ARG 81 - HE2 LYS 82 far 0 100 0 - 7.2-10.0 Violated in 2 structures by 0.00 A. Peak 3719 from cnoeabs.peaks (1.14, 2.74, 41.51 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.3-4.0 3.9=100 HG2 LYS 40 + HE2 LYS 40 OK 31 31 100 100 2.0-4.0 4.0=100 QG2 THR 31 - HE2 LYS 40 far 0 38 0 - 8.5-12.7 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 10 assignments used, quality = 1.00: * HD2 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 38 38 100 100 2.3-3.0 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 92 3.3-6.5 3.1/12331=32...(17) HG LEU 64 - HE2 LYS 82 far 0 91 0 - 4.7-8.5 HG LEU 38 - HE2 LYS 40 far 0 38 0 - 7.9-12.8 HG3 LYS 39 - HE2 LYS 40 far 0 33 0 - 7.9-12.0 HB2 LEU 38 - HE2 LYS 40 far 0 38 0 - 8.4-11.9 HG2 LYS 66 - HE2 LYS 82 far 0 73 0 - 8.8-14.1 HG3 LYS 66 - HE2 LYS 82 far 0 70 0 - 9.8-14.5 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 2 assignments used, quality = 1.00: * HD3 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 33 - HE2 LYS 40 far 0 33 0 - 6.6-11.4 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 - 5.0-8.3 HE2 LYS 39 - HE2 LYS 40 far 0 34 0 - 7.5-13.7 HE3 LYS 39 - HE2 LYS 40 far 0 30 0 - 8.2-14.0 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...(19) HA ARG 79 - HE2 LYS 53 far 0 46 0 - 7.3-11.0 HA LEU 55 - HE3 LYS 53 far 0 34 0 - 7.4-10.5 HA LEU 55 - HE2 LYS 53 far 0 30 0 - 7.6-10.8 HA ARG 79 - HE3 LYS 53 far 0 52 0 - 7.6-11.2 Violated in 7 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (1.34, 2.85, 41.51 ppm; 3.76 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.4-4.1 1.8/3668=66, 3657=59...(14) HG2 LYS 39 + HE2 LYS 39 OK 65 65 100 100 2.2-4.0 3.5=100 HG2 LYS 39 + HE3 LYS 39 OK 55 55 100 100 2.2-4.1 3.5=100 HB2 LEU 70 - HE2 LYS 39 poor 12 48 25 - 3.6-8.1 HB2 LEU 70 - HE3 LYS 39 poor 10 40 25 - 3.6-8.1 HG3 LYS 40 - HE2 LYS 39 far 0 58 0 - 5.8-11.5 QB ALA 67 - HE3 LYS 82 far 0 100 0 - 7.1-9.4 HG3 LYS 40 - HE3 LYS 39 far 0 48 0 - 7.3-11.5 QB ALA 67 - HE2 LYS 39 far 0 64 0 - 7.7-11.2 QB ALA 89 - HE3 LYS 82 far 0 100 0 - 8.0-11.2 HG3 LYS 68 - HE3 LYS 82 far 0 100 0 - 8.0-13.6 QB ALA 67 - HE3 LYS 39 far 0 54 0 - 8.3-11.5 HB3 LEU 2 - HE3 LYS 53 far 0 52 0 - 8.8-11.7 HB3 LEU 2 - HE2 LYS 53 far 0 46 0 - 8.9-11.8 QB ALA 25 - HE2 LYS 53 far 0 48 0 - 9.3-12.9 HB3 LEU 27 - HE2 LYS 53 far 0 49 0 - 9.4-12.6 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 14 assignments used, quality = 1.00: * HB3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.0-3.0 3668=79, 3717/1.8=65...(18) HB2 LYS 39 + HE2 LYS 39 OK 32 38 85 100 2.0-4.8 4.9=45, 1687/3.0=20...(65) HB2 LYS 39 + HE3 LYS 39 OK 29 31 95 100 2.3-4.7 4.9=45, 1687/3.0=20...(62) HB3 GLU 63 - HE3 LYS 82 far 0 97 0 - 5.6-8.3 HD2 ARG 81 - HE3 LYS 82 far 0 59 0 - 5.9-10.2 HB2 LYS 66 - HE2 LYS 39 far 0 65 0 - 6.2-11.5 HB2 LYS 66 - HE3 LYS 39 far 0 55 0 - 6.4-11.4 HB VAL 78 - HE3 LYS 53 far 0 48 0 - 7.2-11.7 HB VAL 78 - HE2 LYS 53 far 0 43 0 - 7.9-11.6 HG3 ARG 46 - HE2 LYS 39 far 0 52 0 - 7.9-14.4 HG3 ARG 46 - HE3 LYS 39 far 0 43 0 - 8.4-14.0 HB ILE 56 - HE3 LYS 82 far 0 100 0 - 9.1-11.5 HD2 ARG 81 - HE3 LYS 53 far 0 26 0 - 9.5-17.6 HD2 ARG 81 - HE2 LYS 53 far 0 23 0 - 9.8-17.5 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 8 assignments used, quality = 1.00: * HG2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.4-3.8 3.9=100 HB3 LEU 55 - HE2 LYS 53 far 0 26 0 - 6.9-11.1 HB3 ARG 81 - HE3 LYS 82 far 0 100 0 - 6.9-9.0 HB3 LEU 55 - HE3 LYS 53 far 0 30 0 - 7.2-11.1 HG12 ILE 76 - HE2 LYS 39 far 0 48 0 - 7.2-12.3 HG12 ILE 52 - HE2 LYS 53 far 0 39 0 - 7.3-10.1 HG12 ILE 76 - HE3 LYS 39 far 0 40 0 - 7.6-13.2 HG12 ILE 52 - HE3 LYS 53 far 0 44 0 - 7.9-9.7 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 2.2-3.8 3.9=100 HB3 LEU 3 - HE2 LYS 53 far 2 45 5 - 4.8-9.7 HB3 LEU 3 - HE3 LYS 53 far 0 51 0 - 6.5-9.7 HG2 LYS 40 - HE2 LYS 39 far 0 55 0 - 7.0-11.3 HG2 LYS 40 - HE3 LYS 39 far 0 45 0 - 7.6-11.6 QG2 THR 34 - HE3 LYS 39 far 0 28 0 - 8.1-11.9 QG2 THR 34 - HE2 LYS 39 far 0 34 0 - 8.1-12.2 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (1.46, 2.85, 41.51 ppm; 3.20 A): 9 out of 31 assignments used, quality = 1.00: * HD2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 53 + HE3 LYS 53 OK 55 55 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HE2 LYS 39 OK 54 57 95 100 2.0-4.1 3.5=74, 1719/3.0=28...(73) HG3 LYS 53 + HE3 LYS 53 OK 52 53 100 99 2.1-3.7 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 + HE3 LYS 53 OK 48 54 90 99 2.1-4.2 3.9=54, 2433/3.0=32...(40) HG3 LYS 39 + HE3 LYS 39 OK 47 47 100 100 2.0-3.7 3.5=74, 1719/3.0=28...(70) HG3 LYS 53 + HE2 LYS 53 OK 44 47 95 99 2.1-4.2 3.9=54, 2433/3.0=32...(40) HG2 LYS 53 + HE2 LYS 53 OK 43 48 90 99 2.3-4.2 3.9=54, 2433/3.0=32...(40) HB3 LEU 64 - HE3 LYS 82 poor 18 75 30 79 3.3-6.4 7336/9754=17, ~12331=16...(15) HG2 LYS 73 - HE2 LYS 39 far 0 39 0 - 4.1-10.5 HB2 LEU 38 - HE2 LYS 39 far 0 65 0 - 4.4-9.8 HG LEU 38 - HE2 LYS 39 far 0 65 0 - 4.4-10.4 HG LEU 64 - HE3 LYS 82 far 0 91 0 - 4.6-8.6 HG2 LYS 73 - HE3 LYS 39 far 0 32 0 - 4.6-9.5 HG LEU 38 - HE3 LYS 39 far 0 55 0 - 5.3-9.8 HB2 LEU 38 - HE3 LYS 39 far 0 54 0 - 5.5-10.4 HG3 LYS 66 - HE2 LYS 39 far 0 38 0 - 6.4-13.3 HG2 LYS 66 - HE2 LYS 39 far 0 41 0 - 7.1-14.4 HD3 LYS 40 - HE2 LYS 39 far 0 64 0 - 7.2-13.0 HD2 LYS 40 - HE3 LYS 39 far 0 54 0 - 7.3-13.0 HD2 LYS 40 - HE2 LYS 39 far 0 65 0 - 7.4-12.5 HD3 LYS 40 - HE3 LYS 39 far 0 54 0 - 7.4-12.2 HG3 LYS 66 - HE3 LYS 39 far 0 31 0 - 7.4-13.1 HG13 ILE 52 - HE2 LYS 53 far 0 49 0 - 7.5-9.6 HG13 ILE 76 - HE3 LYS 39 far 0 43 0 - 7.6-13.0 HG13 ILE 52 - HE3 LYS 53 far 0 55 0 - 7.7-9.5 HG13 ILE 76 - HE2 LYS 39 far 0 52 0 - 7.7-12.8 HG2 LYS 66 - HE3 LYS 39 far 0 33 0 - 8.0-14.2 HG2 LYS 66 - HE3 LYS 82 far 0 73 0 - 9.8-14.9 HG12 ILE 7 - HE3 LYS 82 far 0 68 0 - 10.0-11.9 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 19 assignments used, quality = 1.00: * HD3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 53 + HE3 LYS 53 OK 50 50 100 100 2.2-2.9 3.0=100 HD3 LYS 53 + HE2 LYS 53 OK 44 44 100 100 2.3-3.0 3.0=100 HG3 LYS 73 - HE2 LYS 39 far 2 41 5 - 4.1-11.8 HG3 ARG 79 - HE3 LYS 53 far 2 34 5 - 4.1-10.7 HG3 ARG 79 - HE2 LYS 53 far 2 30 5 - 4.2-10.1 HG2 ARG 79 - HE2 LYS 53 far 0 29 0 - 4.7-10.6 HG LEU 103 - HE2 LYS 53 far 0 43 0 - 4.8-12.4 HG2 ARG 79 - HE3 LYS 53 far 0 33 0 - 4.9-10.2 HG3 LYS 73 - HE3 LYS 39 far 0 33 0 - 5.3-10.9 HG LEU 103 - HE3 LYS 53 far 0 48 0 - 5.4-11.4 HB2 LEU 3 - HE3 LYS 53 far 0 51 0 - 5.7-9.4 HD2 LYS 66 - HE2 LYS 39 far 0 37 0 - 5.9-14.2 HB2 ARG 79 - HE3 LYS 53 far 0 31 0 - 6.0-9.8 HB2 LEU 103 - HE2 LYS 53 far 0 41 0 - 6.1-12.6 HB2 LEU 3 - HE2 LYS 53 far 0 45 0 - 6.1-9.6 HB2 ARG 79 - HE2 LYS 53 far 0 27 0 - 6.3-11.2 HD2 LYS 66 - HE3 LYS 39 far 0 30 0 - 6.5-13.6 HB2 LEU 103 - HE3 LYS 53 far 0 46 0 - 7.0-11.7 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 0 100 0 - 3.7-8.0 HB2 ASP 65 - HE3 LYS 82 far 0 87 0 - 6.4-12.3 HE2 LYS 40 - HE2 LYS 39 far 0 43 0 - 7.5-13.7 HE2 LYS 40 - HE3 LYS 39 far 0 35 0 - 8.2-14.0 HE3 LYS 40 - HE2 LYS 39 far 0 42 0 - 8.3-13.4 HE3 LYS 40 - HE3 LYS 39 far 0 34 0 - 8.5-13.9 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 6 assignments used, quality = 1.00: * HB VAL 83 + HA VAL 83 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 GLU 88 + HA VAL 83 OK 67 68 100 100 3.7-4.9 1.8/12222=74, 12223=62...(27) HG2 GLU 88 + HA VAL 83 OK 43 79 55 100 3.6-6.2 3.0/12223=61...(24) HB2 LEU 64 - HA VAL 83 far 0 100 0 - 8.4-9.6 HB2 PRO 86 - HA VAL 83 far 0 100 0 - 9.3-10.4 HB3 PRO 86 - HA VAL 83 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3739 from cnoeabs.peaks (0.96, 4.80, 59.41 ppm; 6.50 A): 1 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 lone 2 75 100 3 5.3-6.9 QG2 THR 80 - HA VAL 83 far 0 95 0 - 8.0-8.9 HG LEU 55 - HA VAL 83 far 0 100 0 - 8.9-10.3 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 2.3-2.5 3.2=100 QG2 THR 80 - HA VAL 83 far 0 77 0 - 8.0-8.9 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 1 assignment used, quality = 1.00: * H THR 84 + HA VAL 83 OK 100 100 100 100 2.2-2.6 3.6=100 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 3.6-3.9 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 2.4-2.5 3.0=100 HA TRP 92 - HB VAL 83 far 0 90 0 - 8.0-8.6 HA ASN 60 - HB VAL 83 far 0 96 0 - 9.6-10.5 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 - 6.4-8.2 HG LEU 55 - HB VAL 83 far 0 100 0 - 8.6-9.8 QG2 THR 80 - HB VAL 83 far 0 95 0 - 9.0-10.0 QG2 VAL 5 - HB VAL 83 far 0 95 0 - 9.6-11.8 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 - 9.0-10.0 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 1 assignment used, quality = 1.00: * H THR 84 + HB VAL 83 OK 100 100 100 100 2.0-3.1 7359/3.0=81, 4.4=78...(14) 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 1 assignment used, quality = 1.00: * H VAL 83 + QG2 VAL 83 OK 100 100 100 100 1.9-2.3 7354=100, 7355/2.1=60...(15) 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 - 7.1-7.9 HA TRP 92 - QG2 VAL 83 far 0 90 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (2.11, 0.96, 21.21 ppm; 3.02 A): 1 out of 7 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 poor 17 68 25 - 3.6-4.8 HG2 GLU 88 - QG2 VAL 83 far 0 79 0 - 4.7-6.1 HB2 PRO 86 - QG2 VAL 83 far 0 100 0 - 5.2-6.9 HB3 PRO 86 - QG2 VAL 83 far 0 99 0 - 5.7-6.5 HB2 LEU 64 - QG2 VAL 83 far 0 100 0 - 7.6-8.6 QE MET 21 - QG2 VAL 83 far 0 97 0 - 8.8-10.0 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 - 6.3-7.3 HB3 LEU 55 - QG2 VAL 83 far 0 95 0 - 8.1-9.2 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 3.1-3.8 4.0=100 H ILE 56 - QG2 VAL 83 far 0 98 0 - 7.8-8.6 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 2.6-3.0 7355=100, 7354/2.1=86...(13) 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 2.3-2.5 3.2=100 HA TRP 92 - QG1 VAL 83 far 0 90 0 - 5.4-5.7 HA ASN 60 - QG1 VAL 83 far 0 96 0 - 8.2-9.3 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 HB3 GLU 88 + QG1 VAL 83 OK 67 68 100 99 1.9-3.7 1.8/9813=53, 3.0/9814=28...(35) HG2 GLU 88 + QG1 VAL 83 OK 39 79 50 98 3.0-4.9 3.0/9813=39, 1.8/9814=33...(30) HB2 PRO 86 - QG1 VAL 83 far 0 100 0 - 7.1-7.9 HB3 PRO 86 - QG1 VAL 83 far 0 99 0 - 7.3-7.8 HB2 LEU 64 - QG1 VAL 83 far 0 100 0 - 7.6-8.7 QE MET 21 - QG1 VAL 83 far 0 97 0 - 8.4-9.4 HG2 GLU 104 - QG1 VAL 83 far 0 68 0 - 8.8-20.5 HG3 GLU 104 - QG1 VAL 83 far 0 96 0 - 9.7-21.4 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 far 4 75 5 - 3.3-5.0 HG LEU 55 - QG1 VAL 83 far 0 100 0 - 5.2-6.4 QG2 THR 80 - QG1 VAL 83 far 0 95 0 - 6.1-7.0 QG2 VAL 5 - QG1 VAL 83 far 0 95 0 - 6.7-8.6 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 3.4-4.0 4.0=100 H ILE 56 - QG1 VAL 83 far 0 98 0 - 6.9-8.1 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 2.5-2.7 3.0=100 HA SER 9 - HA THR 84 far 0 99 0 - 8.0-10.1 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 2.1-3.2 3.2=97, 2.1/3766=67...(5) QB ALA 18 - HA THR 84 far 0 96 0 - 9.1-10.3 Violated in 6 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 - 9.8-10.9 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 2.6-3.7 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 1 assignment used, quality = 1.00: * HA THR 84 + HB THR 84 OK 100 100 100 100 2.5-2.7 3.0=99, 3763/2.1=57...(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 3.5-4.4 4.7=74, 3.6/3766=72...(5) Violated in 15 structures by 0.05 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 2.1-3.4 7365=100, 3.0/3763=71...(8) 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 1 assignment used, quality = 1.00: * HA THR 84 + QG2 THR 84 OK 100 100 100 100 2.1-3.2 3.2=100 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 2 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 - 8.0-11.2 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 2.1-4.4 4.3=100 H LEU 64 - QG2 THR 84 far 0 79 0 - 7.9-11.6 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 2.9-3.0 3.0=100 HB3 SER 9 - HA SER 85 far 0 88 0 - 7.9-9.3 HA ALA 89 - HA SER 85 far 0 100 0 - 7.9-8.3 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 2.2-2.7 3.0=100 HB2 SER 59 - HA SER 85 far 0 73 0 - 6.6-8.6 HA ASP 87 - HA SER 85 far 0 71 0 - 6.9-7.1 HA LYS 13 - HA SER 85 far 0 65 0 - 9.6-11.0 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 2.4-3.5 4.0=100 H SER 85 - HB3 SER 9 far 0 72 0 - 7.5-10.2 H LEU 64 - HB3 SER 9 far 0 50 0 - 9.4-11.9 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 2.9-3.0 3.0=100 HA ILE 7 - HB3 SER 9 far 0 71 0 - 5.5-7.1 HA SER 85 - HB3 SER 9 far 0 72 0 - 7.9-9.3 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 5 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 far 5 45 10 - 3.2-6.8 HA ASP 87 - HB2 SER 85 far 0 71 0 - 5.1-6.5 HA LYS 13 - HB3 SER 9 far 0 40 0 - 8.0-9.9 HB2 SER 59 - HB2 SER 85 far 0 73 0 - 8.4-10.5 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 3.6-4.0 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 2.2-2.7 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 3 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 HA ARG 91 - HB3 SER 85 far 0 96 0 - 9.8-12.2 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 93 100 100 93 2.3-2.4 3.8=54, 3788/1.8=33...(15) * HA SER 85 + HD2 PRO 86 OK 93 100 100 93 2.4-2.6 3.8=54, 3790/1.8=33...(15) 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 = 1.00: HD3 PRO 86 + HA SER 85 OK 94 100 100 94 2.3-2.4 3.8=57, 1.8/3787=35...(15) * HD2 PRO 86 + HA SER 85 OK 94 100 100 94 2.4-2.6 3.8=57, 1.8/3789=35...(15) 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 93 100 100 93 2.3-2.4 3.8=54, 3788/1.8=33...(15) HA SER 85 + HD2 PRO 86 OK 93 100 100 93 2.4-2.6 3.8=54, 3790/1.8=33...(15) 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 = 1.00: * HD3 PRO 86 + HA SER 85 OK 94 100 100 94 2.3-2.4 3.8=57, 1.8/3787=35...(15) HD2 PRO 86 + HA SER 85 OK 94 100 100 94 2.4-2.6 3.8=57, 1.8/3789=35...(15) 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 - 8.4-10.4 HA GLU 17 - HD2 PRO 86 far 0 63 0 - 8.9-10.9 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 3.0-3.9 3.0=100 * HB2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-4.0 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.9 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 90 0 - 5.7-8.3 HB VAL 83 - HD3 PRO 86 far 0 100 0 - 6.3-7.0 HB VAL 83 - HD2 PRO 86 far 0 100 0 - 6.4-6.9 HG2 GLU 88 - HD3 PRO 86 far 0 89 0 - 7.0-9.2 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 11 assignments used, quality = 1.00: HB3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.9 3.0=100 * HB3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-4.0 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.9 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 63 0 - 5.7-8.3 HB3 GLU 88 - HD2 PRO 86 far 0 82 0 - 5.9-7.9 HB VAL 83 - HD3 PRO 86 far 0 99 0 - 6.3-7.0 HB VAL 83 - HD2 PRO 86 far 0 99 0 - 6.4-6.9 HB3 GLU 88 - HD3 PRO 86 far 0 82 0 - 6.8-8.6 HG2 GLU 88 - HD3 PRO 86 far 0 63 0 - 7.0-9.2 HB2 GLU 16 - HD3 PRO 86 far 0 79 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (1.69, 3.98, 50.67 ppm; 3.63 A): 2 out of 11 assignments used, quality = 1.00: * HG2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 LYS 13 - HD3 PRO 86 far 0 99 0 - 6.1-9.6 HD3 LYS 90 - HD2 PRO 86 far 0 100 0 - 6.2-9.2 HD3 LYS 90 - HD3 PRO 86 far 0 100 0 - 6.5-9.5 HD2 LYS 13 - HD2 PRO 86 far 0 99 0 - 7.1-10.8 HD3 LYS 13 - HD3 PRO 86 far 0 99 0 - 7.6-10.4 HD3 LYS 13 - HD2 PRO 86 far 0 99 0 - 8.1-11.6 HB3 ARG 91 - HD2 PRO 86 far 0 99 0 - 8.8-11.3 HB ILE 15 - HD3 PRO 86 far 0 63 0 - 9.5-10.8 HB3 ARG 91 - HD3 PRO 86 far 0 99 0 - 9.9-12.2 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 2.3-2.7 2.3=100 HG3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 GLU 16 - HD3 PRO 86 far 0 77 0 - 8.3-12.6 HB3 GLU 16 - HD2 PRO 86 far 0 77 0 - 9.5-13.7 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 2.6-2.7 7380/2.3=70, 7381=50...(19) 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 - 9.9-10.5 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 - 8.4-10.4 HA GLU 17 - HD2 PRO 86 far 0 63 0 - 8.9-10.9 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 3.0-3.9 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.9 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-4.0 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 89 0 - 5.7-8.3 HB VAL 83 - HD3 PRO 86 far 0 100 0 - 6.3-7.0 HB VAL 83 - HD2 PRO 86 far 0 100 0 - 6.4-6.9 HG2 GLU 88 - HD3 PRO 86 far 0 90 0 - 7.0-9.2 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 11 assignments used, quality = 1.00: * HB3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.9 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.9 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-4.0 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 63 0 - 5.7-8.3 HB3 GLU 88 - HD2 PRO 86 far 0 82 0 - 5.9-7.9 HB VAL 83 - HD3 PRO 86 far 0 99 0 - 6.3-7.0 HB VAL 83 - HD2 PRO 86 far 0 99 0 - 6.4-6.9 HB3 GLU 88 - HD3 PRO 86 far 0 82 0 - 6.8-8.6 HG2 GLU 88 - HD3 PRO 86 far 0 63 0 - 7.0-9.2 HB2 GLU 16 - HD3 PRO 86 far 0 79 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (1.69, 3.98, 50.67 ppm; 3.63 A): 2 out of 11 assignments used, quality = 1.00: * HG2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 LYS 13 - HD3 PRO 86 far 0 99 0 - 6.1-9.6 HD3 LYS 90 - HD2 PRO 86 far 0 100 0 - 6.2-9.2 HD3 LYS 90 - HD3 PRO 86 far 0 100 0 - 6.5-9.5 HD2 LYS 13 - HD2 PRO 86 far 0 99 0 - 7.1-10.8 HD3 LYS 13 - HD3 PRO 86 far 0 99 0 - 7.6-10.4 HD3 LYS 13 - HD2 PRO 86 far 0 99 0 - 8.1-11.6 HB3 ARG 91 - HD2 PRO 86 far 0 99 0 - 8.8-11.3 HB ILE 15 - HD3 PRO 86 far 0 63 0 - 9.5-10.8 HB3 ARG 91 - HD3 PRO 86 far 0 99 0 - 9.9-12.2 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 + HD3 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 GLU 16 - HD3 PRO 86 far 0 77 0 - 8.3-12.6 HB3 GLU 16 - HD2 PRO 86 far 0 77 0 - 9.5-13.7 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 2.6-2.7 7380/2.3=70, 7382=50...(19) * 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 - 9.9-10.5 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 2.3-2.7 2.3=100 HB3 PRO 86 + HA PRO 86 OK 96 96 100 100 2.3-2.7 2.3=100 HB VAL 83 - HA PRO 86 far 0 100 0 - 5.0-5.9 HG2 GLU 88 - HA PRO 86 far 0 90 0 - 6.3-7.8 QE MET 21 - HA PRO 86 far 0 91 0 - 8.9-10.3 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 2.3-2.7 2.3=100 HB2 PRO 86 + HA PRO 86 OK 96 96 100 100 2.3-2.7 2.3=100 HB VAL 83 - HA PRO 86 far 0 99 0 - 5.0-5.9 HB3 GLU 88 - HA PRO 86 far 0 82 0 - 5.7-7.0 HG2 GLU 88 - HA PRO 86 far 0 63 0 - 6.3-7.8 HB2 GLU 16 - HA PRO 86 far 0 79 0 - 8.5-10.7 QE MET 21 - HA PRO 86 far 0 100 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 3810 from cnoeabs.peaks (1.69, 4.09, 65.04 ppm; 4.29 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 86 + HA PRO 86 OK 100 100 100 100 3.9-4.0 3.8=100 HD3 LYS 90 - HA PRO 86 far 15 100 15 - 4.0-7.2 HD2 LYS 13 - HA PRO 86 far 0 99 0 - 6.9-10.1 HB3 ARG 91 - HA PRO 86 far 0 99 0 - 7.6-9.7 HB ILE 15 - HA PRO 86 far 0 63 0 - 8.1-9.1 HD3 LYS 20 - HA PRO 86 far 0 94 0 - 8.4-12.7 HD3 LYS 13 - HA PRO 86 far 0 99 0 - 8.5-11.0 HG12 ILE 15 - HA PRO 86 far 0 100 0 - 8.6-9.8 HD2 LYS 20 - HA PRO 86 far 0 96 0 - 9.0-11.9 HG3 LYS 20 - HA PRO 86 far 0 94 0 - 9.7-13.4 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 3.9-4.0 3.8=100 HB3 GLU 16 - HA PRO 86 far 0 77 0 - 7.5-10.9 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 3.5-3.6 3.5=100 H TRP 92 - HA PRO 86 far 0 100 0 - 7.3-8.2 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 2.3-2.7 2.3=100 HA PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.3-2.7 2.3=100 HA GLU 17 - HB3 PRO 86 far 0 53 0 - 4.8-6.9 HA GLU 17 - HB2 PRO 86 far 0 63 0 - 5.4-7.5 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): 2 out of 21 assignments used, quality = 1.00: * HG2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.3-2.7 2.3=100 HD3 LYS 90 - HB3 PRO 86 poor 18 91 20 - 2.9-8.2 HD3 LYS 90 - HB2 PRO 86 far 15 100 15 - 4.4-8.5 HD2 LYS 13 - HB2 PRO 86 far 5 99 5 - 4.6-9.1 HD2 LYS 13 - HB3 PRO 86 far 0 90 0 - 5.3-8.8 HD3 LYS 13 - HB2 PRO 86 far 0 99 0 - 6.3-9.7 HD3 LYS 13 - HB3 PRO 86 far 0 89 0 - 6.6-9.7 HD3 LYS 20 - HB3 PRO 86 far 0 82 0 - 6.8-11.3 HD3 LYS 20 - HB2 PRO 86 far 0 94 0 - 7.3-11.9 HB ILE 15 - HB2 PRO 86 far 0 63 0 - 7.5-9.4 HD2 LYS 20 - HB3 PRO 86 far 0 85 0 - 7.5-10.6 HB ILE 15 - HB3 PRO 86 far 0 53 0 - 7.7-9.6 HD2 LYS 20 - HB2 PRO 86 far 0 96 0 - 7.8-11.0 HB3 ARG 91 - HB3 PRO 86 far 0 89 0 - 8.1-10.5 HB3 ARG 91 - HB2 PRO 86 far 0 99 0 - 8.1-11.3 HG3 LYS 20 - HB3 PRO 86 far 0 82 0 - 8.4-12.2 HG12 ILE 15 - HB2 PRO 86 far 0 100 0 - 8.6-10.5 HG12 ILE 15 - HB3 PRO 86 far 0 92 0 - 9.0-10.8 HG3 LYS 20 - HB2 PRO 86 far 0 94 0 - 9.1-12.8 HD2 LYS 12 - HB2 PRO 86 far 0 99 0 - 9.8-14.8 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 2.3-3.0 2.3=100 HG3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.3-3.0 2.3=100 HB3 GLU 16 - HB2 PRO 86 far 0 77 0 - 5.9-9.9 HB3 GLU 16 - HB3 PRO 86 far 0 65 0 - 6.4-10.3 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 3.0-3.9 3.0=100 * HD2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.9-4.0 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.0-3.9 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 3.0-3.9 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.0-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.9-4.0 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 3.2-4.2 3.9=100 H ASP 87 + HB3 PRO 86 OK 92 92 100 100 3.0-4.1 3.9=100 H TRP 92 - HB3 PRO 86 far 0 91 0 - 8.5-10.2 H TRP 92 - HB2 PRO 86 far 0 100 0 - 8.7-10.0 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 2.3-2.7 2.3=100 HA PRO 86 + HB2 PRO 86 OK 92 92 100 100 2.3-2.7 2.3=100 HA GLU 17 - HB3 PRO 86 far 0 63 0 - 4.8-6.9 HA GLU 17 - HB2 PRO 86 far 0 53 0 - 5.4-7.5 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): 2 out of 21 assignments used, quality = 1.00: * HG2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 2.3-3.0 2.3=100 HD3 LYS 90 - HB3 PRO 86 poor 20 100 20 - 2.9-8.2 HD3 LYS 90 - HB2 PRO 86 far 14 91 15 - 4.4-8.5 HD2 LYS 13 - HB2 PRO 86 far 5 90 5 - 4.6-9.1 HD2 LYS 13 - HB3 PRO 86 far 0 99 0 - 5.3-8.8 HD3 LYS 13 - HB2 PRO 86 far 0 89 0 - 6.3-9.7 HD3 LYS 13 - HB3 PRO 86 far 0 99 0 - 6.6-9.7 HD3 LYS 20 - HB3 PRO 86 far 0 94 0 - 6.8-11.3 HD3 LYS 20 - HB2 PRO 86 far 0 82 0 - 7.3-11.9 HB ILE 15 - HB2 PRO 86 far 0 53 0 - 7.5-9.4 HD2 LYS 20 - HB3 PRO 86 far 0 96 0 - 7.5-10.6 HB ILE 15 - HB3 PRO 86 far 0 63 0 - 7.7-9.6 HD2 LYS 20 - HB2 PRO 86 far 0 85 0 - 7.8-11.0 HB3 ARG 91 - HB3 PRO 86 far 0 99 0 - 8.1-10.5 HB3 ARG 91 - HB2 PRO 86 far 0 89 0 - 8.1-11.3 HG3 LYS 20 - HB3 PRO 86 far 0 94 0 - 8.4-12.2 HG12 ILE 15 - HB2 PRO 86 far 0 92 0 - 8.6-10.5 HG12 ILE 15 - HB3 PRO 86 far 0 100 0 - 9.0-10.8 HG3 LYS 20 - HB2 PRO 86 far 0 82 0 - 9.1-12.8 HD2 LYS 12 - HB2 PRO 86 far 0 90 0 - 9.8-14.8 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 2.3-3.0 2.3=100 HG3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 2.3-3.0 2.3=100 HB3 GLU 16 - HB2 PRO 86 far 0 65 0 - 5.9-9.9 HB3 GLU 16 - HB3 PRO 86 far 0 77 0 - 6.4-10.3 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 3.0-3.9 3.0=100 * HD2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.9-4.0 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.9 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 3.0-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 3.9-4.0 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.9 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.9-4.0 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 3.0-4.1 3.9=100 H ASP 87 + HB2 PRO 86 OK 92 92 100 100 3.2-4.2 3.9=100 H TRP 92 - HB3 PRO 86 far 0 100 0 - 8.5-10.2 H TRP 92 - HB2 PRO 86 far 0 91 0 - 8.7-10.0 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 3.9-4.0 3.8=100 HA LYS 66 + HG LEU 70 OK 68 71 100 96 3.2-4.8 7139/4.9=38, ~9506=37...(15) HA GLU 17 - HG2 PRO 86 far 0 63 0 - 6.9-8.9 HA GLU 62 - HG LEU 70 far 0 49 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 3832 from cnoeabs.peaks (2.12, 1.69, 27.30 ppm; 3.78 A): 4 out of 10 assignments used, quality = 1.00: * HB2 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 86 + HG2 PRO 86 OK 96 96 100 100 2.3-2.7 2.3=100 HB2 GLU 69 + HG LEU 70 OK 59 74 90 89 3.0-5.4 10802=45, 10277/3.0=29...(13) HB3 GLU 69 + HG LEU 70 OK 24 74 40 82 4.4-6.5 1.8/10802=36...(11) HB3 GLU 35 - HG LEU 70 poor 19 38 50 - 3.1-7.1 HG2 GLU 69 - HG LEU 70 far 4 74 5 - 4.7-7.7 HG2 GLU 88 - HG2 PRO 86 far 0 90 0 - 6.6-10.3 HB VAL 83 - HG2 PRO 86 far 0 100 0 - 7.6-8.6 HG3 GLU 37 - HG LEU 70 far 0 72 0 - 9.2-12.2 HB3 GLU 37 - HG LEU 70 far 0 74 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3833 from cnoeabs.peaks (2.10, 1.69, 27.30 ppm; 3.85 A): 5 out of 13 assignments used, quality = 1.00: * HB3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 PRO 86 + HG2 PRO 86 OK 96 96 100 100 2.3-3.0 2.3=100 HB2 GLU 69 + HG LEU 70 OK 48 61 90 87 3.0-5.4 10802=38, 10277/3.0=29...(13) HB3 GLU 69 + HG LEU 70 OK 28 61 55 82 4.4-6.5 1.8/10802=37...(11) HB3 GLU 35 + HG LEU 70 OK 26 59 50 90 3.1-7.1 10278/2.1=21...(18) HB3 LEU 38 - HG LEU 70 far 5 48 10 - 4.4-8.1 HG2 GLU 69 - HG LEU 70 far 3 61 5 - 4.7-7.7 HG2 GLU 88 - HG2 PRO 86 far 0 63 0 - 6.6-10.3 HB VAL 83 - HG2 PRO 86 far 0 99 0 - 7.6-8.6 HB3 GLU 88 - HG2 PRO 86 far 0 82 0 - 8.0-9.8 HB2 GLU 16 - HG2 PRO 86 far 0 79 0 - 8.4-11.2 HG3 GLU 37 - HG LEU 70 far 0 74 0 - 9.2-12.2 HB3 GLU 37 - HG LEU 70 far 0 62 0 - 9.6-12.5 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): 1 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 HG2 GLU 35 - HG LEU 70 far 8 75 10 - 3.7-7.5 HG3 GLU 35 - HG LEU 70 far 8 75 10 - 4.0-7.4 HB3 GLU 16 - HG2 PRO 86 far 0 77 0 - 7.0-11.5 HB2 GLN 72 - HG LEU 70 far 0 48 0 - 8.0-10.2 HB2 GLU 63 - HG LEU 70 far 0 75 0 - 8.8-9.9 HG2 GLU 43 - HG LEU 70 far 0 74 0 - 8.8-11.3 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: * HD2 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HA GLU 69 - HG LEU 70 far 0 66 0 - 5.2-7.2 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 2.3-3.0 2.3=100 HD2 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HA GLU 69 - HG LEU 70 far 0 65 0 - 5.2-7.2 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 2 assignments used, quality = 1.00: * H ASP 87 + HG2 PRO 86 OK 100 100 100 100 2.1-4.0 7380/1.8=100, ~10967=80...(18) H TRP 92 - HG2 PRO 86 far 0 100 0 - 9.5-11.5 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 3.9-4.0 3.8=100 HB2 SER 49 - HB3 GLU 75 far 0 62 0 - 5.7-9.5 HA ARG 46 - HB3 GLU 75 far 0 85 0 - 6.0-8.0 HA GLU 17 - HG3 PRO 86 far 0 63 0 - 6.9-9.0 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 2.3-3.0 2.3=100 HB3 PRO 86 + HG3 PRO 86 OK 96 96 100 100 2.3-3.0 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 - 6.5-9.4 HB VAL 83 - HG3 PRO 86 far 0 100 0 - 7.6-8.7 QE MET 21 - HG3 PRO 86 far 0 91 0 - 9.8-12.4 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 2.3-3.0 2.3=100 HB2 PRO 86 + HG3 PRO 86 OK 96 96 100 100 2.3-3.0 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 - 6.5-9.4 HB3 GLU 88 - HG3 PRO 86 far 0 82 0 - 6.8-9.5 HB VAL 83 - HG3 PRO 86 far 0 99 0 - 7.6-8.7 HB2 GLU 16 - HG3 PRO 86 far 0 79 0 - 9.1-11.9 QE MET 21 - HG3 PRO 86 far 0 100 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (1.69, 2.19, 27.30 ppm; 3.34 A): 1 out of 12 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 far 0 100 0 - 4.5-9.1 HD2 LYS 13 - HG3 PRO 86 far 0 99 0 - 4.8-9.8 HD3 LYS 13 - HG3 PRO 86 far 0 99 0 - 5.6-10.6 HD2 LYS 73 - HB3 GLU 75 far 0 74 0 - 7.9-11.0 HD3 LYS 73 - HB3 GLU 75 far 0 70 0 - 8.1-11.4 HB3 ARG 91 - HG3 PRO 86 far 0 99 0 - 8.4-11.3 HD3 LYS 20 - HG3 PRO 86 far 0 94 0 - 8.8-13.3 HB ILE 15 - HG3 PRO 86 far 0 63 0 - 9.1-11.5 HD2 LYS 20 - HG3 PRO 86 far 0 96 0 - 9.5-12.7 HD2 LYS 39 - HB3 GLU 75 far 0 51 0 - 10.0-13.5 HB ILE 52 - HB3 GLU 75 far 0 78 0 - 10.0-12.9 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 2.3-2.7 2.3=100 HD3 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HA GLU 75 + HB3 GLU 75 OK 75 75 100 100 2.9-3.0 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: * HD3 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-2.7 2.3=100 HA GLU 75 + HB3 GLU 75 OK 74 74 100 100 2.9-3.0 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 2.1-4.0 7380=100, 7379/1.8=55...(14) H TRP 92 - HG3 PRO 86 far 0 100 0 - 9.5-11.2 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 2.8-2.9 2.9=100 H TRP 92 - HA ASP 87 far 0 100 0 - 6.2-7.0 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): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-3.0 3.0=93, 7384/2.9=24...(11) HB3 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-3.0 3.0=93, 7384/2.9=23...(12) HD2 ARG 91 - HA ASP 87 far 0 99 0 - 5.3-7.6 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (2.50, 4.22, 57.31 ppm; 2.94 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-3.0 3.0=93, 7384/2.9=24...(11) * HB3 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-3.0 3.0=93, 7384/2.9=23...(12) HD2 ARG 91 - HA ASP 87 far 0 99 0 - 5.3-7.6 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 3.5-3.6 3.6=100 H LEU 14 - HA ASP 87 far 0 93 0 - 9.1-10.4 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 4 assignments used, quality = 1.00: * H ASP 87 + HB2 ASP 87 OK 94 100 100 94 2.2-3.6 4.0=53, 7384/1.8=39...(14) H ASP 87 + HB3 ASP 87 OK 93 100 100 93 2.8-3.6 4.0=53, 7385/1.8=40...(13) H TRP 92 - HB3 ASP 87 far 0 100 0 - 7.0-8.4 H TRP 92 - HB2 ASP 87 far 0 100 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (4.22, 2.50, 40.10 ppm; 3.09 A): 3 out of 4 assignments used, quality = 1.00: HA ASP 87 + HB3 ASP 87 OK 100 100 100 100 2.3-3.0 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 OK 28 71 65 59 3.0-5.7 9849/4.0=16...(10) HB3 SER 85 - HB3 ASP 87 far 0 71 0 - 4.5-6.1 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 2 assignments used, quality = 1.00: * H GLU 88 + HB2 ASP 87 OK 97 100 100 97 2.5-4.0 7390=53, 7386/4.0=43...(16) H GLU 88 + HB3 ASP 87 OK 96 100 100 96 2.7-4.3 4.6=48, 7391/1.8=44...(14) 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 4 assignments used, quality = 1.00: H ASP 87 + HB2 ASP 87 OK 94 100 100 94 2.2-3.6 4.0=53, 7384/1.8=39...(14) * H ASP 87 + HB3 ASP 87 OK 93 100 100 93 2.8-3.6 4.0=53, 7385/1.8=40...(13) H TRP 92 - HB3 ASP 87 far 0 100 0 - 7.0-8.4 H TRP 92 - HB2 ASP 87 far 0 100 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (4.22, 2.50, 40.10 ppm; 3.09 A): 3 out of 4 assignments used, quality = 1.00: * HA ASP 87 + HB3 ASP 87 OK 100 100 100 100 2.3-3.0 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 OK 28 71 65 59 3.0-5.7 9849/4.0=16...(10) HB3 SER 85 - HB3 ASP 87 far 0 71 0 - 4.5-6.1 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 2 assignments used, quality = 1.00: H GLU 88 + HB2 ASP 87 OK 97 100 100 97 2.5-4.0 7390=53, 7386/4.0=43...(16) * H GLU 88 + HB3 ASP 87 OK 96 100 100 96 2.7-4.3 4.6=48, 7391/1.8=44...(14) 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 2.8-2.9 3.0=100 H LEU 14 + HA LEU 14 OK 47 47 100 100 2.8-2.9 3.0=100 H GLU 88 - HA LEU 14 far 0 55 0 - 6.7-8.1 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 9 assignments used, quality = 1.00: * HB2 GLU 88 + HA GLU 88 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 90 - HA GLU 88 far 0 100 0 - 5.1-7.0 HB3 LYS 90 - HA GLU 88 far 0 85 0 - 5.4-7.3 HB2 LYS 90 - HA LEU 14 far 0 55 0 - 5.6-9.9 HB3 LYS 90 - HA LEU 14 far 0 41 0 - 6.0-10.0 HB2 GLU 88 - HA LEU 14 far 0 55 0 - 7.6-8.8 HB ILE 93 - HA GLU 88 far 0 100 0 - 8.1-9.0 HB3 LEU 57 - HA LEU 14 far 0 50 0 - 8.2-9.3 HB3 LEU 57 - HA GLU 88 far 0 96 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 3865 from cnoeabs.peaks (2.08, 3.66, 58.73 ppm; 3.44 A): 2 out of 11 assignments used, quality = 1.00: * HB3 GLU 88 + HA GLU 88 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 PRO 86 + HA LEU 14 OK 38 39 100 98 2.0-3.9 2.3/9885=47, 2.3/9887=34...(29) HB VAL 83 - HA GLU 88 far 0 68 0 - 4.7-5.5 HB2 GLU 16 - HA LEU 14 far 0 55 0 - 5.5-7.2 HB3 PRO 86 - HA GLU 88 far 0 82 0 - 7.4-8.5 HB VAL 83 - HA LEU 14 far 0 31 0 - 7.8-8.7 QE MET 21 - HA GLU 88 far 0 91 0 - 8.2-9.6 HB2 MET 21 - HA LEU 14 far 0 39 0 - 8.5-10.9 HB3 GLU 88 - HA LEU 14 far 0 55 0 - 8.9-10.3 HB2 MET 21 - HA GLU 88 far 0 82 0 - 9.2-10.2 QE MET 21 - HA LEU 14 far 0 45 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3866 from cnoeabs.peaks (2.14, 3.66, 58.73 ppm; 3.63 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLU 88 + HA GLU 88 OK 100 100 100 100 2.3-3.8 3887=74, 3889/3.0=72...(19) HB2 PRO 86 + HA LEU 14 OK 44 44 100 99 1.9-4.0 2.3/9885=53, 2.3/9887=39...(29) HB3 PRO 86 + HA LEU 14 OK 28 28 100 99 2.0-3.9 2.3/9885=53, 2.3/9887=39...(29) HB VAL 83 - HA GLU 88 far 0 79 0 - 4.7-5.5 HB3 GLU 16 - HA LEU 14 far 0 42 0 - 4.8-7.3 HB3 PRO 86 - HA GLU 88 far 0 63 0 - 7.4-8.5 HB2 PRO 86 - HA GLU 88 far 0 90 0 - 7.5-8.5 HB3 GLU 95 - HA GLU 88 far 0 95 0 - 7.6-10.2 HB VAL 83 - HA LEU 14 far 0 37 0 - 7.8-8.7 HG2 GLU 88 - HA LEU 14 far 0 55 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 3867 from cnoeabs.peaks (1.94, 3.66, 58.73 ppm; 3.48 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 88 + HA GLU 88 OK 100 100 100 100 2.8-3.7 3894=70, 1.8/3887=57...(18) HB2 LYS 13 + HA LEU 14 OK 27 39 75 93 4.1-5.3 3.0/8391=26, 4.0/8389=22...(19) HB2 GLU 17 - HA LEU 14 poor 17 55 30 - 4.0-5.2 HB3 LYS 13 - HA LEU 14 poor 9 37 25 - 3.8-4.6 HB2 GLU 17 - HA GLU 88 far 0 100 0 - 7.6-9.8 HB3 LYS 20 - HA LEU 14 far 0 53 0 - 7.8-10.2 HB2 LYS 94 - HA GLU 88 far 0 91 0 - 8.0-10.5 HG3 GLU 88 - HA LEU 14 far 0 55 0 - 8.0-10.8 HB3 ARG 19 - HA LEU 14 far 0 51 0 - 8.2-10.4 Violated in 1 structures by 0.00 A. Peak 3868 from cnoeabs.peaks (7.42, 3.66, 58.73 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 89 + HA GLU 88 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 89 - HA LEU 14 far 0 55 0 - 5.8-7.0 HE3 TRP 92 - HA GLU 88 far 0 100 0 - 6.6-8.2 HE ARG 19 - HA LEU 14 far 0 39 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 3869 from cnoeabs.peaks (7.47, 3.66, 58.73 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 91 + HA GLU 88 OK 100 100 100 100 3.2-3.7 4025/4024=54...(17) HZ2 TRP 92 - HA GLU 88 far 0 91 0 - 5.2-8.1 HE3 TRP 92 - HA GLU 88 far 0 59 0 - 6.6-8.2 H ARG 91 - HA LEU 14 far 0 55 0 - 8.2-10.5 HE ARG 19 - HA LEU 14 far 0 48 0 - 8.6-11.2 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 10 assignments used, quality = 0.94: * HB2 ARG 91 + HA GLU 88 OK 83 100 85 98 2.5-4.7 4024=62, 1.8/3871=51...(19) HG3 ARG 91 + HA GLU 88 OK 49 70 75 94 3.0-5.1 2.8/4024=46, 2.8/3871=40...(17) HB2 LEU 14 + HA LEU 14 OK 29 29 100 100 2.3-3.0 3.0=100 HG3 LYS 13 - HA LEU 14 far 0 52 0 - 6.2-6.5 HG LEU 57 - HA GLU 88 far 0 96 0 - 7.3-8.2 HB ILE 7 - HA LEU 14 far 0 29 0 - 7.7-8.5 HG2 LYS 20 - HA LEU 14 far 0 37 0 - 8.2-11.2 HG LEU 57 - HA LEU 14 far 0 50 0 - 8.3-9.5 HB2 LEU 14 - HA GLU 88 far 0 65 0 - 9.8-11.1 HB2 ARG 91 - HA LEU 14 far 0 55 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 3871 from cnoeabs.peaks (1.68, 3.66, 58.73 ppm; 3.61 A): 2 out of 14 assignments used, quality = 0.95: * HB3 ARG 91 + HA GLU 88 OK 92 100 95 97 2.3-4.8 1.8/4024=58, 3.9/3869=36...(16) HG2 PRO 86 + HA LEU 14 OK 36 53 70 98 3.7-5.1 9887=41, 3.8/9885=37...(20) HD3 LYS 90 - HA GLU 88 far 5 97 5 - 4.5-8.3 HD2 LYS 13 - HA LEU 14 far 2 48 5 - 4.1-7.1 HD3 LYS 90 - HA LEU 14 far 0 51 0 - 5.0-9.8 HD3 LYS 13 - HA LEU 14 far 0 46 0 - 5.6-7.9 HG12 ILE 15 - HA LEU 14 far 0 52 0 - 6.9-7.4 HD3 LYS 20 - HA LEU 14 far 0 54 0 - 7.0-11.4 HD2 LYS 20 - HA LEU 14 far 0 55 0 - 7.2-10.3 HG2 PRO 86 - HA GLU 88 far 0 99 0 - 7.4-9.1 HG3 LYS 20 - HA LEU 14 far 0 54 0 - 7.8-11.0 HD2 LYS 12 - HA LEU 14 far 0 48 0 - 8.4-11.0 HD3 LYS 12 - HA LEU 14 far 0 48 0 - 8.5-11.0 HB3 ARG 91 - HA LEU 14 far 0 55 0 - 10.0-12.6 Violated in 3 structures by 0.01 A. Peak 3872 from cnoeabs.peaks (7.57, 1.81, 30.05 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.2-2.9 3.9=100 H LEU 14 - HB2 GLU 88 far 0 93 0 - 10.0-11.1 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 4 assignments used, quality = 1.00: * HA GLU 88 + HB2 GLU 88 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 90 - HB2 GLU 88 far 0 99 0 - 7.5-7.9 HA LEU 14 - HB2 GLU 88 far 0 88 0 - 7.6-8.8 HB THR 80 - HB2 GLU 104 far 0 78 0 - 8.0-22.9 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 8 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 95 2.3-3.0 3.0=85, 7667/7664=26...(5) HB VAL 83 + HB2 GLU 88 OK 65 68 100 96 1.9-2.6 2.1/9813=41, 9822=23...(25) HB3 PRO 86 - HB2 GLU 88 far 0 82 0 - 6.6-7.4 HB2 GLU 99 - HB2 GLU 104 far 0 57 0 - 6.8-12.4 HB3 GLU 98 - HB2 GLU 104 far 0 57 0 - 8.1-16.7 HB2 GLU 98 - HB2 GLU 104 far 0 59 0 - 8.3-17.3 QE MET 21 - HB2 GLU 88 far 0 91 0 - 9.7-11.1 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 7 assignments used, quality = 1.00: * HG2 GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 104 + HB2 GLU 104 OK 89 89 100 100 2.3-3.0 3.0=100 HB VAL 83 + HB2 GLU 88 OK 78 79 100 99 1.9-2.6 2.1/9813=53, 9822=40...(26) HB3 PRO 86 - HB2 GLU 88 far 0 63 0 - 6.6-7.4 HB2 PRO 86 - HB2 GLU 88 far 0 90 0 - 6.8-7.5 HB3 GLU 95 - HB2 GLU 104 far 0 82 0 - 8.1-16.5 HB3 GLU 95 - HB2 GLU 88 far 0 95 0 - 9.4-12.3 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 3 assignments used, quality = 1.00: * HG3 GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 GLU 17 - HB2 GLU 88 far 0 100 0 - 7.8-9.8 QE MET 1 - HB2 GLU 104 far 0 59 0 - 8.3-14.0 Violated in 0 structures by 0.00 A. Peak 3878 from cnoeabs.peaks (7.42, 1.81, 30.05 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 89 + HB2 GLU 88 OK 100 100 100 100 2.4-2.9 4.3=100 HE3 TRP 92 - HB2 GLU 88 far 0 100 0 - 5.8-9.0 HE3 TRP 92 - HB2 GLU 104 far 0 89 0 - 7.0-17.7 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 1 assignment used, quality = 1.00: * H GLU 88 + HB3 GLU 88 OK 100 100 100 100 2.2-3.6 3.9=94, 7393/1.8=83...(16) 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 2.3-2.7 3.0=100 HA LYS 90 - HB3 GLU 88 far 0 99 0 - 7.5-8.3 HA LEU 14 - HB3 GLU 88 far 0 88 0 - 8.9-10.3 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 7 assignments used, quality = 1.00: * HB2 GLU 88 + HB3 GLU 88 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 46 - HB3 GLU 48 far 0 27 0 - 6.8-9.8 HB2 LYS 90 - HB3 GLU 88 far 0 100 0 - 7.1-8.8 HG3 ARG 46 - HB3 GLU 48 far 0 24 0 - 7.2-9.4 HB3 LYS 90 - HB3 GLU 88 far 0 85 0 - 7.3-9.1 HB3 LEU 57 - HB3 GLU 88 far 0 96 0 - 8.0-9.5 HB ILE 93 - HB3 GLU 88 far 0 100 0 - 8.8-10.7 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 2.3-2.7 3889=100, 3887/3.0=28...(13) HB VAL 83 + HB3 GLU 88 OK 75 79 100 95 2.4-3.7 9822/1.8=26, ~9813=25...(25) HG2 GLU 44 - HB3 GLU 48 far 0 30 0 - 6.2-10.9 HB3 PRO 86 - HB3 GLU 88 far 0 63 0 - 7.3-8.8 HB2 PRO 86 - HB3 GLU 88 far 0 90 0 - 7.6-9.0 HB3 GLU 95 - HB3 GLU 88 far 0 95 0 - 8.3-11.0 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 2.5-3.0 3.0=100 HB3 LYS 47 - HB3 GLU 48 far 0 26 0 - 4.0-6.5 HB2 LYS 47 - HB3 GLU 48 far 0 22 0 - 5.4-6.2 HB3 ARG 46 - HB3 GLU 48 far 0 27 0 - 7.2-8.4 HB2 MET 1 - HB3 GLU 48 far 0 31 0 - 8.5-11.8 HB2 GLU 17 - HB3 GLU 88 far 0 100 0 - 8.8-10.8 HB2 LYS 94 - HB3 GLU 88 far 0 91 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3885 from cnoeabs.peaks (7.42, 2.08, 30.05 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 89 + HB3 GLU 88 OK 100 100 100 100 3.0-4.0 4.3=96, 7402/1.8=89...(17) HE3 TRP 92 - HB3 GLU 88 far 0 100 0 - 5.6-9.3 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 2.5-4.1 7393/3.0=66...(15) Violated in 5 structures by 0.03 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 2.3-3.8 4.2=88, 3.0/3889=82...(19) HA LYS 90 - HG2 GLU 88 far 0 99 0 - 8.7-9.9 HA LEU 14 - HG2 GLU 88 far 0 88 0 - 9.0-11.3 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 4 assignments used, quality = 1.00: * HB2 GLU 88 + HG2 GLU 88 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 90 - HG2 GLU 88 far 0 100 0 - 7.4-10.4 HB3 LYS 90 - HG2 GLU 88 far 0 85 0 - 7.6-10.4 HB3 LEU 57 - HG2 GLU 88 far 0 96 0 - 9.7-11.5 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 4 assignments used, quality = 0.93: * HB3 GLU 88 + HG2 GLU 88 OK 93 100 100 93 2.3-2.7 3.0=71, 3.0/3887=25...(13) HB VAL 83 - HG2 GLU 88 poor 14 68 20 - 3.2-5.1 HB3 PRO 86 - HG2 GLU 88 far 0 82 0 - 7.3-9.5 QE MET 21 - HG2 GLU 88 far 0 91 0 - 9.9-12.5 Violated in 4 structures by 0.01 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 - 8.5-11.7 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 4.4-5.2 7405/1.8=94, 7402/3.0=92...(16) HE3 TRP 92 - HG2 GLU 88 far 0 100 0 - 7.6-10.2 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 1 assignment used, quality = 1.00: * H GLU 88 + HG3 GLU 88 OK 100 100 100 100 2.0-4.6 3886/1.8=89, 7393/3.0=80...(18) Violated in 1 structures by 0.01 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 2.8-3.7 4.2=82, 3887/1.8=72...(18) HA LEU 14 - HG3 GLU 88 far 0 88 0 - 8.0-10.8 HA LYS 90 - HG3 GLU 88 far 0 99 0 - 8.2-9.6 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 2.2-2.4 3.0=100 HB2 LYS 90 - HG3 GLU 88 far 0 100 0 - 7.6-10.0 HB3 LYS 90 - HG3 GLU 88 far 0 85 0 - 7.7-10.1 HB3 LEU 57 - HG3 GLU 88 far 0 96 0 - 8.7-11.1 HB ILE 93 - HG3 GLU 88 far 0 100 0 - 9.7-11.9 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 2.5-3.0 3.0=100 HB VAL 83 + HG3 GLU 88 OK 55 68 85 96 3.2-4.5 2.1/9815=34, 2.1/9814=32...(19) HB3 PRO 86 - HG3 GLU 88 far 0 82 0 - 6.5-9.4 QE MET 21 - HG3 GLU 88 far 0 91 0 - 9.6-12.2 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 40 79 55 92 3.2-4.5 2.1/9815=25, 2.1/9814=23...(19) HB3 PRO 86 - HG3 GLU 88 far 0 63 0 - 6.5-9.4 HB2 PRO 86 - HG3 GLU 88 far 0 90 0 - 6.8-9.7 HB3 GLU 95 - HG3 GLU 88 far 0 95 0 - 7.9-13.6 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 3.7-4.7 7405=100, 7402/3.0=93...(20) HE3 TRP 92 - HG3 GLU 88 far 0 100 0 - 6.6-10.7 Violated in 0 structures by 0.00 A. Peak 3900 from cnoeabs.peaks (7.42, 3.90, 55.61 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 89 + HA ALA 89 OK 100 100 100 100 2.7-2.9 3.0=100 HE3 TRP 92 - HA ALA 89 far 10 100 10 - 4.0-7.0 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 5 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 - 5.3-6.7 HG2 LYS 94 - HA ALA 89 far 0 100 0 - 7.3-11.3 HB2 LYS 82 - HA ALA 89 far 0 100 0 - 9.3-10.6 QB ALA 25 - HA ALA 89 far 0 100 0 - 9.4-10.3 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 3 assignments used, quality = 1.00: * H LYS 90 + HA ALA 89 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 17 - HA ALA 89 far 0 95 0 - 8.7-9.9 H ILE 15 - HA ALA 89 far 0 81 0 - 9.0-9.9 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 2 assignments used, quality = 1.00: * H TRP 92 + HA ALA 89 OK 100 100 100 100 3.3-3.7 7453/3.6=78...(16) H ASP 87 - HA ALA 89 far 0 100 0 - 6.8-7.4 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 2 assignments used, quality = 0.99: * HB2 TRP 92 + HA ALA 89 OK 99 100 100 99 2.3-3.0 1.8/4106=64, 3.9/9935=57...(13) HB2 PHE 96 - HA ALA 89 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 3906 from cnoeabs.peaks (3.19, 3.90, 55.61 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 92 + HA ALA 89 OK 100 100 100 100 3.5-4.6 4106=100, 1.8/3905=92...(12) 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 2.0-2.2 2.9=100 HE3 TRP 92 - QB ALA 89 far 0 100 0 - 5.0-7.9 HE ARG 19 - QB ALA 89 far 0 82 0 - 8.1-10.4 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 HB3 SER 9 - QB ALA 89 far 0 85 0 - 5.4-7.4 HB2 SER 85 - QB ALA 89 far 0 100 0 - 5.5-6.6 HA ARG 91 - QB ALA 89 far 0 98 0 - 6.5-6.8 HA LYS 94 - QB ALA 89 far 0 68 0 - 8.0-9.5 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 = 1.00: * H LYS 90 + QB ALA 89 OK 100 100 100 100 2.2-2.9 7415=100, 7408/7407=58...(20) H GLU 17 - QB ALA 89 far 0 95 0 - 5.3-6.3 H ILE 15 - QB ALA 89 far 0 81 0 - 5.5-6.3 H GLU 16 - QB ALA 89 far 0 77 0 - 6.5-7.2 H LYS 13 - QB ALA 89 far 0 79 0 - 8.2-9.2 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 - 6.4-9.2 H GLU 16 - HA LYS 90 far 0 77 0 - 8.4-11.1 H ILE 15 - HA LYS 90 far 0 81 0 - 8.8-11.3 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 5 assignments used, quality = 1.00: * HB2 LYS 90 + HA LYS 90 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 93 + HA LYS 90 OK 91 99 100 92 2.7-4.0 4129=41, 3.2/10025=31...(15) HB3 LYS 90 + HA LYS 90 OK 90 90 100 100 2.3-3.0 3.0=100 HB3 LEU 57 - HA LYS 90 far 0 98 0 - 7.3-9.2 HB2 GLU 88 - HA LYS 90 far 0 100 0 - 7.5-7.9 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 6 assignments used, quality = 1.00: * HB3 LYS 90 + HA LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 90 + HA LYS 90 OK 90 90 100 100 2.4-3.0 3.0=100 HB ILE 93 + HA LYS 90 OK 69 75 100 92 2.7-4.0 3.2/10025=36, 4129=34...(16) HB3 LEU 57 - HA LYS 90 far 0 99 0 - 7.3-9.2 HB2 GLU 88 - HA LYS 90 far 0 85 0 - 7.5-7.9 HB VAL 5 - HA LYS 90 far 0 82 0 - 7.7-9.7 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 2.5-3.6 4.0=74, 1.8/3916=65...(41) Violated in 9 structures by 0.00 A. Peak 3916 from cnoeabs.peaks (1.58, 3.67, 60.35 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 90 + HA LYS 90 OK 100 100 100 100 3.3-4.2 4.0=93, 1.8/3915=81...(43) HD3 LYS 94 - HA LYS 90 far 0 97 0 - 4.8-7.2 HG2 ARG 19 - HA LYS 90 far 0 100 0 - 8.0-11.0 HG2 LYS 24 - HA LYS 90 far 0 100 0 - 8.2-10.0 HB3 LEU 29 - HA LYS 90 far 0 98 0 - 8.2-10.1 HG LEU 27 - HA LYS 90 far 0 97 0 - 9.5-10.8 Violated in 11 structures by 0.16 A. Peak 3917 from cnoeabs.peaks (1.74, 3.67, 60.35 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 90 + HA LYS 90 OK 100 100 100 100 2.1-4.8 2.9/3915=68, 2.9/3916=63...(51) HG3 ARG 19 - HA LYS 90 far 0 91 0 - 7.5-10.0 HB ILE 15 - HA LYS 90 far 0 99 0 - 9.8-12.4 Violated in 17 structures by 0.12 A. Peak 3918 from cnoeabs.peaks (1.70, 3.67, 60.35 ppm; 4.29 A): 1 out of 10 assignments used, quality = 1.00: * HD3 LYS 90 + HA LYS 90 OK 100 100 100 100 2.5-4.7 2.9/3915=75, 2.9/3916=70...(49) HB3 ARG 91 - HA LYS 90 far 0 97 0 - 5.6-6.6 HG3 LYS 20 - HA LYS 90 far 0 90 0 - 6.4-10.6 HD2 LYS 20 - HA LYS 90 far 0 93 0 - 7.1-10.7 HD3 LYS 20 - HA LYS 90 far 0 90 0 - 7.2-10.9 HG2 PRO 86 - HA LYS 90 far 0 100 0 - 8.5-10.2 HD3 LYS 24 - HA LYS 90 far 0 100 0 - 8.8-11.9 HD2 LYS 24 - HA LYS 90 far 0 100 0 - 9.7-11.4 HB ILE 15 - HA LYS 90 far 0 71 0 - 9.8-12.4 HG12 ILE 15 - HA LYS 90 far 0 100 0 - 9.9-12.9 Violated in 18 structures by 0.24 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 2.0-3.9 8546=73, 3.0/9948=57...(23) ! HE3 LYS 90 - HA LYS 90 far 10 100 10 - 4.7-6.2 HE3 LYS 94 - HA LYS 90 far 0 85 0 - 6.1-9.9 HE2 LYS 94 - HA LYS 90 far 0 96 0 - 6.2-9.8 HE2 LYS 20 - HA LYS 90 far 0 87 0 - 6.6-11.5 HE3 LYS 20 - HA LYS 90 far 0 88 0 - 7.3-11.6 HE3 LYS 24 - HA LYS 90 far 0 84 0 - 9.1-12.7 HE2 LYS 24 - HA LYS 90 far 0 84 0 - 9.9-13.6 Violated in 1 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (7.47, 3.67, 60.35 ppm; 4.37 A): 1 out of 3 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 - 7.9-8.7 HE ARG 19 - HA LYS 90 far 0 94 0 - 9.7-13.3 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 3.4-3.8 7479=99, 7493/4129=66...(16) H GLU 95 - HA LYS 90 far 0 100 0 - 5.7-7.7 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 5 assignments used, quality = 1.00: HB2 LYS 90 + HA LYS 90 OK 99 99 100 100 2.4-3.0 3.0=100 * HB ILE 93 + HA LYS 90 OK 93 100 100 93 2.7-4.0 4129=44, 3.2/10025=32...(15) HB3 LYS 90 + HA LYS 90 OK 75 75 100 100 2.3-3.0 3.0=100 HB3 LEU 57 - HA LYS 90 far 0 91 0 - 7.3-9.2 HB2 GLU 88 - HA LYS 90 far 0 100 0 - 7.5-7.9 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 10 assignments used, quality = 1.00: * H LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.5-3.6 4.1=60, 7419/2.8=56...(18) H LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.6-3.6 4.1=60, 7419/2.8=56...(15) H LYS 39 + HB2 LYS 39 OK 51 52 100 98 2.1-2.2 4.0=62, 6605/1.8=39...(23) H GLU 17 - HB2 LYS 90 far 0 95 0 - 4.9-10.1 H GLU 17 - HB3 LYS 90 far 0 70 0 - 5.2-9.3 H GLU 16 - HB2 LYS 90 far 0 77 0 - 7.3-12.4 H GLU 16 - HB3 LYS 90 far 0 53 0 - 7.4-11.8 H ILE 15 - HB2 LYS 90 far 0 81 0 - 7.8-12.4 H ILE 15 - HB3 LYS 90 far 0 56 0 - 7.9-12.3 H GLU 75 - HB2 LYS 68 far 0 43 0 - 9.4-11.2 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 2.4-3.0 3.0=100 HA LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.3-3.0 3.0=100 HB THR 80 + HB2 LYS 68 OK 41 63 65 99 2.5-5.6 10788/2.9=30, ~12321=29...(22) HA GLU 88 - HB2 LYS 90 far 0 99 0 - 5.1-7.0 HA GLU 37 - HB2 LYS 39 far 0 49 0 - 5.3-6.2 HA GLU 88 - HB3 LYS 90 far 0 75 0 - 5.4-7.3 HA LEU 14 - HB2 LYS 90 far 0 98 0 - 5.6-9.9 HA LEU 14 - HB3 LYS 90 far 0 73 0 - 6.0-10.0 HA LEU 42 - HB2 LYS 39 far 0 56 0 - 7.6-8.2 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 3 assignments used, quality = 1.00: * HG2 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.4-3.0 2.8=100 HG2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.6-3.0 2.8=100 HB3 LEU 42 - HB2 LYS 39 far 0 84 0 - 6.2-7.1 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 16 assignments used, quality = 1.00: * HG3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.2-3.0 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 far 10 97 10 - 4.1-8.0 HD3 LYS 94 - HB3 LYS 90 far 7 72 10 - 3.8-8.1 HG3 LYS 73 - HB2 LYS 39 far 0 85 0 - 7.0-11.5 HG2 LYS 24 - HB3 LYS 90 far 0 78 0 - 7.3-9.7 HB2 ARG 79 - HB2 LYS 68 far 0 59 0 - 7.4-11.1 HG2 LYS 24 - HB2 LYS 90 far 0 100 0 - 7.5-11.0 HG2 ARG 19 - HB2 LYS 90 far 0 100 0 - 7.6-12.8 HG3 LYS 73 - HB2 LYS 68 far 0 60 0 - 7.9-10.0 HD2 LYS 66 - HB2 LYS 39 far 0 83 0 - 7.9-12.5 HG2 ARG 19 - HB3 LYS 90 far 0 78 0 - 8.3-13.1 HD3 LYS 82 - HB2 LYS 68 far 0 57 0 - 9.1-12.7 HD2 LYS 66 - HB2 LYS 68 far 0 58 0 - 9.1-10.9 HB3 LEU 29 - HB3 LYS 90 far 0 74 0 - 9.5-12.8 HB3 LEU 29 - HB2 LYS 90 far 0 98 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3930 from cnoeabs.peaks (1.74, 1.81, 32.09 ppm; 3.27 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.0-3.8 3.6=73, 1.8/3981=40...(66) HD2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.0-3.8 3.6=73, 3917/3.0=39...(59) HB3 LEU 70 - HB2 LYS 39 far 7 74 10 - 3.7-7.0 HB ILE 56 - HB2 LYS 68 far 0 51 0 - 5.9-8.6 HB3 LEU 70 - HB2 LYS 68 far 0 51 0 - 6.7-9.0 HD2 ARG 81 - HB2 LYS 68 far 0 60 0 - 7.0-11.9 HB2 LYS 66 - HB2 LYS 39 far 0 69 0 - 7.0-9.6 HB2 LYS 66 - HB2 LYS 68 far 0 47 0 - 7.3-9.1 HD3 LYS 66 - HB2 LYS 68 far 0 33 0 - 7.4-9.5 HG3 ARG 19 - HB3 LYS 90 far 0 65 0 - 7.4-12.0 HG3 ARG 19 - HB2 LYS 90 far 0 91 0 - 7.4-11.9 HB3 LYS 82 - HB2 LYS 68 far 0 49 0 - 8.1-11.3 HD2 LYS 13 - HB2 LYS 90 far 0 59 0 - 8.6-15.6 HD3 LYS 66 - HB2 LYS 39 far 0 50 0 - 8.8-11.5 HB3 GLU 63 - HB2 LYS 68 far 0 32 0 - 9.0-11.0 HB ILE 15 - HB3 LYS 90 far 0 75 0 - 9.1-13.4 HB ILE 15 - HB2 LYS 90 far 0 99 0 - 9.1-13.8 HD3 LYS 13 - HB2 LYS 90 far 0 63 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 3931 from cnoeabs.peaks (1.70, 1.81, 32.09 ppm; 3.77 A): 2 out of 33 assignments used, quality = 1.00: * HD3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.2-4.1 3.6=100 HD3 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.2-4.1 3.6=100 HB3 LEU 70 - HB2 LYS 39 poor 16 80 20 - 3.7-7.0 HB3 ARG 91 - HB2 LYS 90 far 15 97 15 - 3.9-7.3 HB3 ARG 91 - HB3 LYS 90 far 7 72 10 - 4.5-7.3 HG LEU 70 - HB2 LYS 39 far 5 91 5 - 3.7-7.2 HG3 LYS 20 - HB3 LYS 90 far 0 64 0 - 5.0-11.2 HB3 LYS 40 - HB2 LYS 39 far 0 86 0 - 5.1-6.4 HD3 LYS 73 - HB2 LYS 39 far 0 63 0 - 5.5-12.3 HD2 LYS 20 - HB3 LYS 90 far 0 68 0 - 5.5-10.7 HD3 LYS 20 - HB2 LYS 90 far 0 90 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 93 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 90 0 - 5.9-11.4 HD3 LYS 20 - HB3 LYS 90 far 0 64 0 - 6.4-10.6 HG2 PRO 86 - HB2 LYS 90 far 0 100 0 - 6.6-9.8 HB3 LEU 70 - HB2 LYS 68 far 0 56 0 - 6.7-9.0 HD2 LYS 73 - HB2 LYS 39 far 0 66 0 - 6.9-12.1 HG LEU 70 - HB2 LYS 68 far 0 66 0 - 7.0-9.6 HD2 ARG 81 - HB2 LYS 68 far 0 45 0 - 7.0-11.9 HG2 PRO 86 - HB3 LYS 90 far 0 78 0 - 7.2-10.1 HD3 LYS 66 - HB2 LYS 68 far 0 65 0 - 7.4-9.5 HD3 LYS 24 - HB3 LYS 90 far 0 78 0 - 7.8-11.9 HD2 LYS 73 - HB2 LYS 68 far 0 45 0 - 8.3-11.9 HD2 LYS 13 - HB2 LYS 90 far 0 100 0 - 8.6-15.6 HD2 LYS 24 - HB3 LYS 90 far 0 78 0 - 8.7-11.7 HD3 LYS 66 - HB2 LYS 39 far 0 90 0 - 8.8-11.5 HD3 LYS 73 - HB2 LYS 68 far 0 42 0 - 8.9-12.2 HD3 LYS 24 - HB2 LYS 90 far 0 100 0 - 9.1-12.5 HB ILE 15 - HB3 LYS 90 far 0 49 0 - 9.1-13.4 HB ILE 15 - HB2 LYS 90 far 0 71 0 - 9.1-13.8 HD2 LYS 24 - HB2 LYS 90 far 0 100 0 - 9.5-11.8 HD3 LYS 13 - HB2 LYS 90 far 0 100 0 - 9.7-16.0 HG12 ILE 15 - HB2 LYS 90 far 0 100 0 - 10.0-14.5 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 3.0-5.2 4.8=100 HE2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 3.5-4.9 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 25 assignments used, quality = 1.00: HG2 MET 21 + HB2 LYS 90 OK 95 100 95 100 1.9-6.3 3920/3.0=63...(28) * HE3 LYS 90 + HB2 LYS 90 OK 85 100 85 100 3.6-5.5 4005/2.8=69, 4.8=59...(47) HG2 MET 21 + HB3 LYS 90 OK 78 78 100 100 1.9-4.8 3920/3.0=63...(28) HE3 LYS 90 + HB3 LYS 90 OK 70 78 90 100 3.6-5.3 4005/2.8=69, 4.8=59...(40) HE2 LYS 68 + HB2 LYS 68 OK 48 48 100 100 2.4-4.4 5.0=53, ~3055=19...(86) HE3 LYS 68 + HB2 LYS 68 OK 46 46 100 100 2.2-4.5 5.0=53, 1.8/3078=19...(86) HE2 LYS 20 - HB2 LYS 90 far 4 87 5 - 4.8-12.3 HE3 LYS 94 - HB3 LYS 90 far 3 60 5 - 4.7-10.0 HE2 LYS 20 - HB3 LYS 90 far 0 62 0 - 5.1-11.5 HE2 LYS 94 - HB3 LYS 90 far 0 71 0 - 5.2-10.0 HE3 LYS 20 - HB3 LYS 90 far 0 63 0 - 5.5-11.3 HE3 LYS 94 - HB2 LYS 90 far 0 85 0 - 5.5-10.9 HE2 LYS 94 - HB2 LYS 90 far 0 96 0 - 5.6-10.7 HE3 LYS 20 - HB2 LYS 90 far 0 88 0 - 5.7-12.1 HE2 LYS 73 - HB2 LYS 39 far 0 84 0 - 6.1-12.3 HE3 LYS 73 - HB2 LYS 39 far 0 88 0 - 6.6-12.7 HE3 LYS 66 - HB2 LYS 39 far 0 56 0 - 7.3-12.9 HE3 LYS 24 - HB3 LYS 90 far 0 59 0 - 7.9-12.5 HE3 LYS 66 - HB2 LYS 68 far 0 37 0 - 8.1-11.5 HE2 LYS 24 - HB3 LYS 90 far 0 59 0 - 8.5-13.5 HE3 LYS 73 - HB2 LYS 68 far 0 63 0 - 8.6-13.6 HE3 LYS 24 - HB2 LYS 90 far 0 84 0 - 8.8-13.0 HE2 LYS 13 - HB2 LYS 90 far 0 87 0 - 9.1-17.7 HE2 LYS 24 - HB2 LYS 90 far 0 84 0 - 9.7-14.0 HE2 LYS 73 - HB2 LYS 68 far 0 59 0 - 9.8-12.3 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 8 assignments used, quality = 1.00: * H ARG 91 + HB2 LYS 90 OK 100 100 100 100 2.2-4.0 4.1=93, 7435/2.8=57...(17) H ARG 91 + HB3 LYS 90 OK 78 78 100 100 2.2-4.1 4.1=93, 7435/2.8=57...(16) HE22 GLN 72 + HB2 LYS 68 OK 28 45 70 91 2.7-7.3 ~9574=25, ~9563=24...(21) HE ARG 46 - HB2 LYS 39 far 0 91 0 - 8.5-13.7 HE3 TRP 92 - HB2 LYS 90 far 0 59 0 - 9.5-10.6 HE3 TRP 92 - HB3 LYS 90 far 0 40 0 - 9.5-10.7 HE ARG 19 - HB2 LYS 90 far 0 94 0 - 9.5-15.4 HE ARG 19 - HB3 LYS 90 far 0 69 0 - 10.0-14.9 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 2.6-3.6 4.1=61, 7419/2.8=56...(15) H LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.5-3.6 4.1=61, 7419/2.8=56...(16) H LYS 39 + HB3 LYS 39 OK 29 31 100 93 2.9-3.5 4.0=62, 6604/1.8=41...(12) H GLU 17 - HB2 LYS 90 far 0 70 0 - 4.9-10.1 H GLU 17 - HB3 LYS 90 far 0 95 0 - 5.2-9.3 H GLU 16 - HB2 LYS 90 far 0 53 0 - 7.3-12.4 H GLU 16 - HB3 LYS 90 far 0 77 0 - 7.4-11.8 H ILE 15 - HB2 LYS 90 far 0 56 0 - 7.8-12.4 H ILE 15 - HB3 LYS 90 far 0 81 0 - 7.9-12.3 H ARG 46 - HB3 LYS 39 far 0 47 0 - 9.2-10.8 H GLU 75 - HB2 LYS 68 far 0 74 0 - 9.4-11.2 H GLU 75 - HB3 LYS 39 far 0 40 0 - 9.7-11.4 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 2.3-3.0 3.0=100 HA LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.4-3.0 3.0=100 HB THR 80 + HB2 LYS 68 OK 62 97 65 100 2.5-5.6 2.1/10259=38...(22) HA GLU 88 - HB2 LYS 90 far 0 75 0 - 5.1-7.0 HA GLU 88 - HB3 LYS 90 far 0 99 0 - 5.4-7.3 HA GLU 37 - HB3 LYS 39 far 0 29 0 - 5.6-6.8 HA LEU 14 - HB2 LYS 90 far 0 73 0 - 5.6-9.9 HA LEU 14 - HB3 LYS 90 far 0 98 0 - 6.0-10.0 HA LEU 42 - HB3 LYS 39 far 0 34 0 - 7.1-7.8 HB THR 80 - HB3 LYS 66 far 0 34 0 - 8.6-9.4 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 3 assignments used, quality = 1.00: * HG2 LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.6-3.0 2.8=100 HG2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.4-3.0 2.8=100 HB3 LEU 42 - HB3 LYS 39 far 0 54 0 - 5.5-6.6 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 19 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 2.2-3.0 2.8=100 HD2 LYS 66 + HB3 LYS 66 OK 31 31 100 100 2.7-4.2 3.6=82, ~2943=43...(42) HD3 LYS 94 - HB3 LYS 90 far 10 97 10 - 3.8-8.1 HD3 LYS 94 - HB2 LYS 90 far 4 72 5 - 4.1-8.0 HG3 LYS 73 - HB3 LYS 39 far 0 55 0 - 7.0-11.3 HG2 LYS 24 - HB3 LYS 90 far 0 100 0 - 7.3-9.7 HB2 ARG 79 - HB2 LYS 68 far 0 93 0 - 7.4-11.1 HG2 LYS 24 - HB2 LYS 90 far 0 78 0 - 7.5-11.0 HG2 ARG 19 - HB2 LYS 90 far 0 78 0 - 7.6-12.8 HG3 LYS 73 - HB2 LYS 68 far 0 94 0 - 7.9-10.0 HG2 ARG 19 - HB3 LYS 90 far 0 100 0 - 8.3-13.1 HD3 LYS 82 - HB3 LYS 66 far 0 30 0 - 9.0-12.1 HD3 LYS 82 - HB2 LYS 68 far 0 91 0 - 9.1-12.7 HD2 LYS 66 - HB2 LYS 68 far 0 92 0 - 9.1-10.9 HB3 LEU 29 - HB3 LYS 90 far 0 98 0 - 9.5-12.8 HG3 LYS 73 - HB3 LYS 66 far 0 32 0 - 9.5-11.6 HD2 LYS 66 - HB3 LYS 39 far 0 53 0 - 9.5-13.4 HB3 LEU 29 - HB2 LYS 90 far 0 74 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3941 from cnoeabs.peaks (1.74, 1.83, 32.09 ppm; 3.04 A): 3 out of 21 assignments used, quality = 1.00: * HD2 LYS 90 + HB3 LYS 90 OK 99 100 100 99 2.0-3.8 3.6=59, 3917/3.0=33...(57) HD2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.0-3.8 3.6=59, 3917/3.0=33...(65) HB2 LYS 66 + HB3 LYS 66 OK 25 25 100 100 1.8-1.8 1.8=100 HB3 LEU 70 - HB3 LYS 39 far 0 46 0 - 5.0-7.5 HB3 LEU 70 - HB3 LYS 66 far 0 27 0 - 5.4-8.4 HB ILE 56 - HB2 LYS 68 far 0 83 0 - 5.9-8.6 HB3 LEU 70 - HB2 LYS 68 far 0 83 0 - 6.7-9.0 HD2 ARG 81 - HB2 LYS 68 far 0 94 0 - 7.0-11.9 HB2 LYS 66 - HB2 LYS 68 far 0 79 0 - 7.3-9.1 HD3 LYS 66 - HB2 LYS 68 far 0 58 0 - 7.4-9.5 HG3 ARG 19 - HB3 LYS 90 far 0 91 0 - 7.4-12.0 HG3 ARG 19 - HB2 LYS 90 far 0 65 0 - 7.4-11.9 HB2 LYS 66 - HB3 LYS 39 far 0 43 0 - 7.8-10.6 HB3 LYS 82 - HB2 LYS 68 far 0 82 0 - 8.1-11.3 HB ILE 56 - HB3 LYS 66 far 0 27 0 - 8.4-9.1 HD2 LYS 13 - HB2 LYS 90 far 0 40 0 - 8.6-15.6 HB3 GLU 63 - HB2 LYS 68 far 0 56 0 - 9.0-11.0 HB ILE 15 - HB3 LYS 90 far 0 99 0 - 9.1-13.4 HB ILE 15 - HB2 LYS 90 far 0 75 0 - 9.1-13.8 HD3 LYS 66 - HB3 LYS 39 far 0 30 0 - 9.2-13.2 HD3 LYS 13 - HB2 LYS 90 far 0 43 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (1.70, 1.83, 32.09 ppm; 3.03 A): 3 out of 38 assignments used, quality = 0.90: * HD3 LYS 90 + HB3 LYS 90 OK 69 100 70 99 2.2-4.1 3.6=59, 3981/1.8=35...(47) HD3 LYS 90 + HB2 LYS 90 OK 50 78 65 99 2.2-4.1 3.6=59, 3918/3.0=29...(51) HD3 LYS 66 + HB3 LYS 66 OK 35 35 100 99 2.0-3.7 3.6=59, 2943/1.8=53...(39) HB3 ARG 91 - HB2 LYS 90 far 4 72 5 - 3.9-7.3 HG LEU 70 - HB3 LYS 39 far 0 60 0 - 4.2-7.9 HB3 ARG 91 - HB3 LYS 90 far 0 97 0 - 4.5-7.3 HB3 LYS 40 - HB3 LYS 39 far 0 56 0 - 4.6-6.5 HG LEU 70 - HB3 LYS 66 far 0 36 0 - 4.7-6.0 HG3 LYS 20 - HB3 LYS 90 far 0 90 0 - 5.0-11.2 HB3 LEU 70 - HB3 LYS 39 far 0 51 0 - 5.0-7.5 HB3 LEU 70 - HB3 LYS 66 far 0 30 0 - 5.4-8.4 HD2 LYS 20 - HB3 LYS 90 far 0 93 0 - 5.5-10.7 HD3 LYS 73 - HB3 LYS 39 far 0 38 0 - 5.7-12.1 HD3 LYS 20 - HB2 LYS 90 far 0 64 0 - 5.7-11.8 HD2 LYS 20 - HB2 LYS 90 far 0 68 0 - 5.8-11.5 HG3 LYS 20 - HB2 LYS 90 far 0 64 0 - 5.9-11.4 HD3 LYS 20 - HB3 LYS 90 far 0 90 0 - 6.4-10.6 HG2 PRO 86 - HB2 LYS 90 far 0 78 0 - 6.6-9.8 HB3 LEU 70 - HB2 LYS 68 far 0 90 0 - 6.7-9.0 HG LEU 70 - HB2 LYS 68 far 0 99 0 - 7.0-9.6 HD2 ARG 81 - HB2 LYS 68 far 0 75 0 - 7.0-11.9 HG2 PRO 86 - HB3 LYS 90 far 0 100 0 - 7.2-10.1 HD3 LYS 66 - HB2 LYS 68 far 0 98 0 - 7.4-9.5 HD2 LYS 73 - HB3 LYS 39 far 0 41 0 - 7.4-12.1 HD3 LYS 24 - HB3 LYS 90 far 0 100 0 - 7.8-11.9 HD2 LYS 73 - HB2 LYS 68 far 0 75 0 - 8.3-11.9 HD3 LYS 73 - HB3 LYS 66 far 0 22 0 - 8.4-12.7 HD2 LYS 73 - HB3 LYS 66 far 0 23 0 - 8.4-13.2 HD2 LYS 13 - HB2 LYS 90 far 0 78 0 - 8.6-15.6 HD2 LYS 24 - HB3 LYS 90 far 0 100 0 - 8.7-11.7 HD3 LYS 73 - HB2 LYS 68 far 0 72 0 - 8.9-12.2 HD3 LYS 24 - HB2 LYS 90 far 0 78 0 - 9.1-12.5 HB ILE 15 - HB3 LYS 90 far 0 71 0 - 9.1-13.4 HB ILE 15 - HB2 LYS 90 far 0 49 0 - 9.1-13.8 HD3 LYS 66 - HB3 LYS 39 far 0 60 0 - 9.2-13.2 HD2 LYS 24 - HB2 LYS 90 far 0 78 0 - 9.5-11.8 HD3 LYS 13 - HB2 LYS 90 far 0 77 0 - 9.7-16.0 HG12 ILE 15 - HB2 LYS 90 far 0 78 0 - 10.0-14.5 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 3.5-4.9 4.8=100 HE2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 3.0-5.2 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 29 assignments used, quality = 1.00: HG2 MET 21 + HB3 LYS 90 OK 94 100 95 99 1.9-4.8 3920/3.0=58...(28) HE2 LYS 68 + HB2 LYS 68 OK 80 80 100 100 2.4-4.4 5.0=47, 1.8/3078=22...(87) HE3 LYS 68 + HB2 LYS 68 OK 77 77 100 100 2.2-4.5 5.0=47, 1.8/3078=23...(87) * HE3 LYS 90 + HB3 LYS 90 OK 75 100 75 100 3.6-5.3 4005/2.8=64, 4.8=52...(39) HG2 MET 21 + HB2 LYS 90 OK 73 78 95 99 1.9-6.3 3920/3.0=58...(27) HE3 LYS 90 + HB2 LYS 90 OK 59 78 75 100 3.6-5.5 4005/2.8=64, 4.8=52...(46) HE3 LYS 94 - HB3 LYS 90 far 4 85 5 - 4.7-10.0 HE2 LYS 20 - HB2 LYS 90 far 0 62 0 - 4.8-12.3 HE2 LYS 20 - HB3 LYS 90 far 0 87 0 - 5.1-11.5 HE2 LYS 94 - HB3 LYS 90 far 0 96 0 - 5.2-10.0 HE3 LYS 20 - HB3 LYS 90 far 0 88 0 - 5.5-11.3 HE3 LYS 94 - HB2 LYS 90 far 0 60 0 - 5.5-10.9 HE2 LYS 94 - HB2 LYS 90 far 0 71 0 - 5.6-10.7 HE3 LYS 20 - HB2 LYS 90 far 0 63 0 - 5.7-12.1 HE2 LYS 73 - HB3 LYS 39 far 0 55 0 - 5.8-12.1 HE3 LYS 73 - HB3 LYS 39 far 0 58 0 - 6.8-12.3 HE2 LYS 68 - HB3 LYS 66 far 0 25 0 - 7.1-11.4 HE3 LYS 68 - HB3 LYS 66 far 0 24 0 - 7.4-11.2 HE3 LYS 24 - HB3 LYS 90 far 0 84 0 - 7.9-12.5 HE3 LYS 66 - HB2 LYS 68 far 0 64 0 - 8.1-11.5 HE2 LYS 24 - HB3 LYS 90 far 0 84 0 - 8.5-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 34 0 - 8.5-14.5 HE3 LYS 73 - HB2 LYS 68 far 0 97 0 - 8.6-13.6 HE3 LYS 24 - HB2 LYS 90 far 0 59 0 - 8.8-13.0 HE2 LYS 73 - HB3 LYS 66 far 0 32 0 - 9.0-13.0 HE2 LYS 13 - HB2 LYS 90 far 0 62 0 - 9.1-17.7 HE3 LYS 73 - HB3 LYS 66 far 0 34 0 - 9.5-12.9 HE2 LYS 24 - HB2 LYS 90 far 0 59 0 - 9.7-14.0 HE2 LYS 73 - HB2 LYS 68 far 0 93 0 - 9.8-12.3 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 2.2-4.1 4.1=100 H ARG 91 + HB2 LYS 90 OK 78 78 100 100 2.2-4.0 4.1=100 HE22 GLN 72 + HB2 LYS 68 OK 57 75 80 94 2.7-7.3 ~9574=27, ~9563=26...(21) HE ARG 46 - HB3 LYS 39 far 0 61 0 - 6.8-13.0 HE3 TRP 92 - HB2 LYS 90 far 0 40 0 - 9.5-10.6 HE3 TRP 92 - HB3 LYS 90 far 0 59 0 - 9.5-10.7 HE ARG 19 - HB2 LYS 90 far 0 69 0 - 9.5-15.4 HE ARG 19 - HB3 LYS 90 far 0 94 0 - 10.0-14.9 Violated in 0 structures by 0.00 A. Peak 3946 from cnoeabs.peaks (8.05, 1.29, 25.29 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 90 + HG2 LYS 90 OK 100 100 100 100 1.8-2.4 7419=100, 7420/1.8=94...(24) H GLU 17 - HG2 LYS 90 far 0 95 0 - 5.7-8.2 H GLU 16 - HG2 LYS 90 far 0 77 0 - 8.0-10.5 H ILE 15 - HG2 LYS 90 far 0 81 0 - 8.2-10.3 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 2.5-3.6 4.0=100 HA GLU 88 + HG2 LYS 90 OK 43 99 55 79 4.2-6.9 3869/7435=41...(8) HA LEU 14 - HG2 LYS 90 far 0 98 0 - 5.8-7.6 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 5 assignments used, quality = 1.00: * HB2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.4-3.0 2.8=100 HB3 LYS 90 + HG2 LYS 90 OK 90 90 100 100 2.6-3.0 2.8=100 HB ILE 93 - HG2 LYS 90 far 0 99 0 - 4.9-6.8 HB2 GLU 88 - HG2 LYS 90 far 0 100 0 - 5.4-7.7 HB3 LEU 57 - HG2 LYS 90 far 0 98 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 3949 from cnoeabs.peaks (1.83, 1.29, 25.29 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.6-3.0 2.8=100 HB2 LYS 90 + HG2 LYS 90 OK 90 90 100 100 2.4-3.0 2.8=100 HB ILE 93 - HG2 LYS 90 far 0 75 0 - 4.9-6.8 HB2 GLU 88 - HG2 LYS 90 far 0 85 0 - 5.4-7.7 HB3 LEU 57 - HG2 LYS 90 far 0 99 0 - 8.8-10.3 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 4 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 0 97 0 - 6.4-7.8 HG2 LYS 24 - HG2 LYS 90 far 0 100 0 - 8.6-11.2 HG2 ARG 19 - HG2 LYS 90 far 0 100 0 - 8.7-12.0 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 4 assignments used, quality = 1.00: * HD2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.3-2.9 2.9=100 HG3 ARG 19 - HG2 LYS 90 far 0 91 0 - 7.9-11.2 HB ILE 15 - HG2 LYS 90 far 0 99 0 - 9.6-11.9 HD2 LYS 13 - HG2 LYS 90 far 0 59 0 - 9.8-13.4 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 9 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 27 97 35 80 3.5-7.1 3.9/7435=35, 3983=17...(23) HG2 PRO 86 - HG2 LYS 90 far 0 100 0 - 5.7-7.9 HG3 LYS 20 - HG2 LYS 90 far 0 90 0 - 5.8-11.6 HD3 LYS 20 - HG2 LYS 90 far 0 90 0 - 6.0-11.3 HD2 LYS 20 - HG2 LYS 90 far 0 93 0 - 7.4-11.7 HB ILE 15 - HG2 LYS 90 far 0 71 0 - 9.6-11.9 HD2 LYS 13 - HG2 LYS 90 far 0 100 0 - 9.8-13.4 HD3 LYS 24 - HG2 LYS 90 far 0 100 0 - 10.0-13.4 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 2.6-4.0 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 6 assignments used, quality = 1.00: * HE3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.6-3.8 3.8=100 HG2 MET 21 + HG2 LYS 90 OK 95 100 95 100 2.3-7.1 3920/3915=67...(18) HE3 LYS 20 - HG2 LYS 90 far 0 88 0 - 6.2-12.0 HE2 LYS 20 - HG2 LYS 90 far 0 87 0 - 7.1-13.0 HE3 LYS 94 - HG2 LYS 90 far 0 85 0 - 7.5-10.5 HE2 LYS 94 - HG2 LYS 90 far 0 96 0 - 7.6-10.7 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 1.9-4.5 7435=100, 7431/7419=99...(23) HE3 TRP 92 - HG2 LYS 90 far 0 59 0 - 8.8-10.8 HZ2 TRP 92 - HG2 LYS 90 far 0 91 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (8.05, 1.58, 25.29 ppm; 4.02 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 90 + HG3 LYS 90 OK 100 100 100 100 3.1-3.8 7420=100, 7419/1.8=90...(22) H LYS 13 + HG3 LYS 12 OK 26 51 55 92 4.5-5.2 3.6/385=46, 6160/6155=42...(9) H GLU 75 - HG3 LYS 73 far 7 46 15 - 4.6-6.1 H ILE 15 - HG3 LYS 12 far 0 52 0 - 5.2-7.1 H GLU 16 - HG3 LYS 12 far 0 50 0 - 5.3-7.4 H GLU 17 - HG3 LYS 90 far 0 95 0 - 5.8-8.0 H LYS 39 - HG3 LYS 73 far 0 36 0 - 7.7-12.3 H GLU 17 - HG3 LYS 12 far 0 65 0 - 8.1-9.9 H GLU 16 - HG3 LYS 90 far 0 77 0 - 8.4-10.5 H ILE 15 - HG3 LYS 90 far 0 81 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 3958 from cnoeabs.peaks (3.67, 1.58, 25.29 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 90 + HG3 LYS 90 OK 100 100 100 100 3.3-4.2 4.0=100 HA GLU 88 - HG3 LYS 90 far 0 99 0 - 5.7-7.7 HA LEU 14 - HG3 LYS 90 far 0 98 0 - 6.0-8.3 HA LYS 90 - HG2 LYS 24 far 0 79 0 - 8.2-10.0 HA LEU 14 - HG3 LYS 12 far 0 69 0 - 8.5-9.8 HA LEU 42 - HG3 LYS 73 far 0 39 0 - 9.4-13.1 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 14 assignments used, quality = 1.00: * HB2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.2-3.0 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 - 5.7-7.6 HB2 GLU 88 - HG3 LYS 90 far 0 100 0 - 6.7-8.9 HB2 LYS 39 - HG3 LYS 73 far 0 63 0 - 7.0-11.5 HB2 LEU 42 - HG3 LYS 73 far 0 68 0 - 7.2-11.2 HB ILE 93 - HG2 LYS 24 far 0 76 0 - 7.2-10.1 HB3 LYS 90 - HG2 LYS 24 far 0 65 0 - 7.3-9.7 HB2 LYS 90 - HG2 LYS 24 far 0 79 0 - 7.5-11.0 HB2 LYS 68 - HG3 LYS 73 far 0 51 0 - 7.9-10.0 HG3 ARG 46 - HG3 LYS 73 far 0 52 0 - 9.1-14.4 HG2 ARG 46 - HG3 LYS 73 far 0 64 0 - 9.3-14.0 HB VAL 78 - HG3 LYS 73 far 0 43 0 - 9.8-13.0 HB3 LEU 57 - HG3 LYS 90 far 0 98 0 - 9.9-11.4 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 2.2-3.0 2.8=100 HB2 LYS 12 + HG3 LYS 12 OK 50 50 100 100 2.5-3.0 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 47 47 100 100 2.2-2.8 3.0=100 HB ILE 93 - HG3 LYS 90 far 0 75 0 - 5.7-7.6 HB2 GLU 88 - HG3 LYS 90 far 0 85 0 - 6.7-8.9 HB3 LYS 39 - HG3 LYS 73 far 0 48 0 - 7.0-11.3 HB2 LYS 39 - HG3 LYS 73 far 0 38 0 - 7.0-11.5 HB2 LEU 42 - HG3 LYS 73 far 0 50 0 - 7.2-11.2 HB ILE 93 - HG2 LYS 24 far 0 52 0 - 7.2-10.1 HB3 LYS 90 - HG2 LYS 24 far 0 79 0 - 7.3-9.7 HB2 LYS 90 - HG2 LYS 24 far 0 65 0 - 7.5-11.0 HB3 LYS 68 - HG3 LYS 73 far 0 36 0 - 7.8-10.8 HB2 LYS 68 - HG3 LYS 73 far 0 68 0 - 7.9-10.0 HG2 ARG 46 - HG3 LYS 73 far 0 66 0 - 9.3-14.0 HB3 LYS 66 - HG3 LYS 73 far 0 50 0 - 9.5-11.6 HB3 LEU 57 - HG3 LYS 90 far 0 99 0 - 9.9-11.4 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 HB3 LEU 42 - HG3 LYS 73 far 0 62 0 - 7.0-10.7 HG2 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.6-11.2 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 17 assignments used, quality = 1.00: * HD2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.7-3.0 2.9=100 HD2 LYS 12 + HG3 LYS 12 OK 37 37 100 100 2.2-3.0 3.0=100 HD3 LYS 12 + HG3 LYS 12 OK 37 37 100 100 2.5-3.0 3.0=100 HB3 LEU 70 - HG3 LYS 73 far 5 53 10 - 3.9-7.5 HB ILE 15 - HG3 LYS 12 far 4 71 5 - 3.7-6.2 HD2 LYS 13 - HG3 LYS 12 far 0 37 0 - 5.3-9.2 HD3 LYS 13 - HG3 LYS 12 far 0 40 0 - 5.6-9.4 HD3 LYS 66 - HG3 LYS 73 far 0 35 0 - 7.2-11.7 HG3 ARG 19 - HG3 LYS 12 far 0 61 0 - 7.4-11.1 HD2 LYS 90 - HG2 LYS 24 far 0 79 0 - 7.4-12.3 HD2 LYS 33 - HG3 LYS 12 far 0 67 0 - 7.9-10.9 HG3 ARG 19 - HG3 LYS 90 far 0 91 0 - 8.1-11.2 HB2 LYS 66 - HG3 LYS 73 far 0 50 0 - 8.2-10.5 HD3 LYS 33 - HG3 LYS 12 far 0 67 0 - 8.4-11.1 HD2 LYS 13 - HG3 LYS 90 far 0 59 0 - 8.8-13.3 HG3 ARG 19 - HG2 LYS 24 far 0 66 0 - 9.0-12.5 HD3 LYS 13 - HG3 LYS 90 far 0 63 0 - 10.0-13.8 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 30 assignments used, quality = 1.00: * HD3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 79 79 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 LYS 12 + HG3 LYS 12 OK 73 73 100 100 2.2-3.0 3.0=99, 3.0/464=36...(58) HD3 LYS 12 + HG3 LYS 12 OK 73 73 100 100 2.5-3.0 3.0=99, 3.0/464=36...(58) HD2 LYS 73 + HG3 LYS 73 OK 47 47 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HG3 LYS 73 OK 44 44 100 100 2.2-3.0 3.0=100 HB ILE 15 - HG3 LYS 12 far 2 45 5 - 3.7-6.2 HB3 LEU 70 - HG3 LYS 73 far 0 59 0 - 3.9-7.5 HB3 ARG 91 - HG3 LYS 90 far 0 97 0 - 4.5-7.6 HG LEU 70 - HG3 LYS 73 far 0 69 0 - 4.8-8.4 HG3 LYS 20 - HG2 LYS 24 far 0 65 0 - 5.0-9.4 HG3 LYS 20 - HG3 LYS 90 far 0 90 0 - 5.0-10.4 HG2 PRO 86 - HG3 LYS 90 far 0 100 0 - 5.2-8.5 HG12 ILE 15 - HG3 LYS 12 far 0 73 0 - 5.3-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 73 0 - 5.3-9.2 HD3 LYS 20 - HG3 LYS 90 far 0 90 0 - 5.5-10.4 HD3 LYS 13 - HG3 LYS 12 far 0 73 0 - 5.6-9.4 HD2 LYS 20 - HG3 LYS 90 far 0 93 0 - 6.1-10.5 HD3 LYS 20 - HG2 LYS 24 far 0 65 0 - 6.7-9.3 HD3 LYS 66 - HG3 LYS 73 far 0 68 0 - 7.2-11.7 HD2 LYS 20 - HG2 LYS 24 far 0 68 0 - 7.2-9.8 HD2 LYS 33 - HG3 LYS 12 far 0 52 0 - 7.9-10.9 HD3 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.2-11.4 HD3 LYS 33 - HG3 LYS 12 far 0 52 0 - 8.4-11.1 HD3 LYS 24 - HG3 LYS 90 far 0 100 0 - 8.5-12.3 HD2 LYS 13 - HG3 LYS 90 far 0 100 0 - 8.8-13.3 HD2 LYS 24 - HG3 LYS 90 far 0 100 0 - 9.2-12.6 HD2 LYS 20 - HG3 LYS 12 far 0 63 0 - 9.5-14.1 HD3 LYS 13 - HG3 LYS 90 far 0 100 0 - 10.0-13.8 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 2.1-3.7 3.8=100 HE2 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.7-11.3 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 26 assignments used, quality = 1.00: * HE3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.1-3.7 3.8=100 HG2 MET 21 + HG3 LYS 90 OK 94 100 95 99 2.4-6.6 3920/3916=60...(21) HE3 LYS 73 + HG3 LYS 73 OK 66 66 100 100 2.3-4.2 4.0=100 HE2 LYS 73 + HG3 LYS 73 OK 62 62 100 100 2.4-4.0 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 59 59 100 100 2.0-3.9 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 59 59 100 100 2.4-3.7 3.7=100 HE3 LYS 12 + HG3 LYS 12 OK 51 51 100 100 2.4-4.2 4.0=100 HE2 LYS 94 - HG2 LYS 24 far 11 71 15 - 4.6-12.1 HE3 LYS 94 - HG2 LYS 24 far 6 61 10 - 5.2-11.5 HG2 MET 21 - HG2 LYS 24 far 4 78 5 - 4.6-7.5 HE2 LYS 20 - HG2 LYS 24 far 0 62 0 - 5.4-11.8 HE2 LYS 20 - HG3 LYS 90 far 0 87 0 - 5.6-11.8 HE3 LYS 20 - HG3 LYS 90 far 0 88 0 - 5.6-10.7 HE3 LYS 20 - HG2 LYS 24 far 0 63 0 - 5.9-11.4 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 6.1-10.8 HE3 LYS 13 - HG3 LYS 12 far 0 60 0 - 6.1-10.1 HE3 LYS 94 - HG3 LYS 90 far 0 85 0 - 6.5-10.8 HB2 ASN 10 - HG3 LYS 12 far 0 72 0 - 6.6-9.5 HE2 LYS 94 - HG3 LYS 90 far 0 96 0 - 6.8-10.7 HE2 LYS 68 - HG3 LYS 73 far 0 51 0 - 7.0-12.0 HE3 LYS 68 - HG3 LYS 73 far 0 48 0 - 7.6-12.6 HE3 LYS 66 - HG3 LYS 73 far 0 39 0 - 7.8-12.1 HE3 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.3-12.2 HE2 LYS 13 - HG3 LYS 90 far 0 87 0 - 9.0-15.4 HE2 LYS 24 - HG3 LYS 90 far 0 84 0 - 9.4-13.3 HE3 LYS 24 - HG3 LYS 90 far 0 84 0 - 9.8-13.3 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 6 assignments used, quality = 1.00: * H ARG 91 + HG3 LYS 90 OK 100 100 100 100 3.0-5.0 7435/1.8=100...(20) HE22 GLN 72 - HG3 LYS 73 poor 9 47 20 - 6.0-8.4 HD22 ASN 26 - HG2 LYS 24 far 0 79 0 - 7.2-11.3 HE ARG 19 - HG3 LYS 12 far 0 64 0 - 7.3-11.7 HE ARG 46 - HG3 LYS 73 far 0 69 0 - 9.5-13.5 HE3 TRP 92 - HG3 LYS 90 far 0 59 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3968 from cnoeabs.peaks (8.05, 1.74, 29.44 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.1-4.4 7421=100, 7419/2.9=85...(19) H GLU 17 - HD2 LYS 90 far 0 95 0 - 6.0-8.9 H ILE 15 - HD2 LYS 90 far 0 81 0 - 8.1-12.3 H GLU 16 - HD2 LYS 90 far 0 77 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. Peak 3969 from cnoeabs.peaks (3.67, 1.74, 29.44 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.1-4.8 3917=100, 3918/1.8=92...(51) HA GLU 88 + HD2 LYS 90 OK 33 99 35 94 5.0-7.0 3869/7437=66...(11) HA LEU 14 - HD2 LYS 90 far 0 98 0 - 5.9-9.8 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 2.0-3.8 3.6=84, 3.0/3917=43...(57) HB3 LYS 90 + HD2 LYS 90 OK 89 90 100 100 2.0-3.8 3.6=84, 3.0/3917=43...(53) HB ILE 93 - HD2 LYS 90 far 0 99 0 - 4.5-8.1 HB2 GLU 88 - HD2 LYS 90 far 0 100 0 - 6.0-8.4 HB3 LEU 57 - HD2 LYS 90 far 0 98 0 - 7.7-12.3 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 6 assignments used, quality = 1.00: * HB3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.0-3.8 3.6=100 HB2 LYS 90 + HD2 LYS 90 OK 90 90 100 100 2.0-3.8 3.6=100 HB ILE 93 - HD2 LYS 90 far 4 75 5 - 4.5-8.1 HB2 GLU 88 - HD2 LYS 90 far 0 85 0 - 6.0-8.4 HB3 LEU 57 - HD2 LYS 90 far 0 99 0 - 7.7-12.3 HB VAL 5 - HD2 LYS 90 far 0 82 0 - 9.2-13.2 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 2.3-2.9 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 0 97 0 - 4.4-8.2 HG2 LYS 24 - HD2 LYS 90 far 0 100 0 - 7.4-12.3 HG2 ARG 19 - HD2 LYS 90 far 0 100 0 - 9.1-12.7 HB3 LEU 29 - HD2 LYS 90 far 0 98 0 - 9.3-13.1 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 - 3.7-6.7 HG2 PRO 86 - HD2 LYS 90 far 0 100 0 - 5.0-9.2 HD2 LYS 20 - HD2 LYS 90 far 0 93 0 - 7.0-11.3 HD3 LYS 20 - HD2 LYS 90 far 0 90 0 - 7.2-11.2 HG3 LYS 20 - HD2 LYS 90 far 0 90 0 - 7.5-10.9 HD3 LYS 24 - HD2 LYS 90 far 0 100 0 - 9.4-14.1 HB ILE 15 - HD2 LYS 90 far 0 71 0 - 9.5-13.5 HD2 LYS 24 - HD2 LYS 90 far 0 100 0 - 9.5-13.1 HD3 LYS 13 - HD2 LYS 90 far 0 100 0 - 9.7-15.7 HG12 ILE 15 - HD2 LYS 90 far 0 100 0 - 9.7-14.1 HD2 LYS 13 - HD2 LYS 90 far 0 100 0 - 9.9-14.8 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 2.2-3.0 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 8 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 65 100 70 94 2.5-6.0 3920/3917=42...(14) HE3 LYS 94 - HD2 LYS 90 far 0 85 0 - 5.3-10.4 HE2 LYS 94 - HD2 LYS 90 far 0 96 0 - 5.8-11.1 HE3 LYS 20 - HD2 LYS 90 far 0 88 0 - 6.2-12.0 HE2 LYS 20 - HD2 LYS 90 far 0 87 0 - 6.4-12.2 HE3 LYS 24 - HD2 LYS 90 far 0 84 0 - 8.6-14.5 HE2 LYS 24 - HD2 LYS 90 far 0 84 0 - 9.8-15.4 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 2 assignments used, quality = 1.00: * H ARG 91 + HD2 LYS 90 OK 100 100 100 100 3.2-4.5 7437=100, 7435/2.9=78...(21) HE3 TRP 92 - HD2 LYS 90 far 0 59 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3979 from cnoeabs.peaks (8.05, 1.70, 29.44 ppm; 3.70 A): 3 out of 30 assignments used, quality = 1.00: * H LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.8-4.2 7421/1.8=63, 7419/2.9=62...(23) H ILE 15 + HG12 ILE 15 OK 80 80 100 99 3.9-4.2 6217/2.9=53, 4.6=51...(17) H LYS 90 + HB3 ARG 91 OK 23 86 30 88 4.4-6.3 7431/3.9=50, 7453/4.3=41...(10) H GLU 17 - HD3 LYS 20 poor 13 54 45 54 3.4-7.7 6250/12058=13, ~894=6...(19) H GLU 17 - HD2 LYS 20 poor 13 59 40 55 3.5-6.7 6250/12058=14, ~894=6...(19) H ARG 46 - HD3 LYS 47 far 7 69 10 - 4.5-6.9 H LYS 13 - HD3 LYS 12 far 5 46 10 - 4.5-6.6 H GLU 16 - HD2 LYS 12 far 4 44 10 - 4.4-8.0 H GLU 16 - HD3 LYS 12 far 2 44 5 - 4.4-8.0 H GLU 16 - HG12 ILE 15 far 0 77 0 - 4.9-5.3 H LYS 13 - HD2 LYS 12 far 0 46 0 - 4.9-6.7 H ARG 46 - HD2 LYS 47 far 0 67 0 - 5.1-6.9 H GLU 16 - HD2 LYS 20 far 0 45 0 - 5.2-8.3 H GLU 16 - HD3 LYS 20 far 0 40 0 - 5.3-8.7 H ILE 15 - HD2 LYS 12 far 0 47 0 - 5.3-8.2 H ILE 15 - HD3 LYS 12 far 0 47 0 - 5.3-8.0 H GLU 17 - HD3 LYS 90 far 0 95 0 - 5.4-9.6 H LYS 13 - HG12 ILE 15 far 0 78 0 - 6.7-7.5 H GLU 17 - HD2 LYS 12 far 0 59 0 - 6.9-10.8 H GLU 17 - HD3 LYS 12 far 0 59 0 - 7.0-10.7 H GLU 17 - HG12 ILE 15 far 0 94 0 - 7.0-7.5 H ILE 15 - HD3 LYS 20 far 0 42 0 - 7.6-11.2 H GLU 16 - HD3 LYS 90 far 0 77 0 - 7.7-11.9 H ILE 15 - HD2 LYS 20 far 0 47 0 - 7.7-10.6 H ILE 15 - HD3 LYS 90 far 0 81 0 - 7.8-12.5 H LYS 90 - HD3 LYS 20 far 0 61 0 - 8.0-11.9 H LYS 90 - HD2 LYS 20 far 0 67 0 - 8.1-11.6 H LYS 13 - HD3 LYS 20 far 0 41 0 - 8.8-12.4 H LYS 13 - HD2 LYS 20 far 0 46 0 - 8.9-11.7 H LYS 13 - HD3 LYS 90 far 0 79 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 3980 from cnoeabs.peaks (3.67, 1.70, 29.44 ppm; 4.60 A): 3 out of 16 assignments used, quality = 1.00: * HA LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.5-4.7 3918=100, 3917/1.8=90...(49) HA GLU 88 + HB3 ARG 91 OK 83 83 100 100 2.3-4.8 4024/1.8=86, 3871=68...(17) HA GLU 88 + HD3 LYS 90 OK 43 99 50 86 4.5-8.3 9904/10315=25...(20) HA LEU 14 - HD3 LYS 90 far 10 98 10 - 5.0-9.8 HA LYS 90 - HB3 ARG 91 far 0 86 0 - 5.6-6.6 HA LEU 14 - HG12 ILE 15 far 0 97 0 - 6.9-7.4 HA LEU 14 - HD3 LYS 20 far 0 57 0 - 7.0-11.4 HA LYS 90 - HD2 LYS 20 far 0 67 0 - 7.1-10.7 HA LYS 90 - HD3 LYS 20 far 0 61 0 - 7.2-10.9 HA LEU 14 - HD2 LYS 20 far 0 62 0 - 7.2-10.3 HA LEU 42 - HD3 LYS 47 far 0 50 0 - 8.0-11.3 HA LEU 14 - HD2 LYS 12 far 0 62 0 - 8.4-11.0 HA LEU 42 - HD2 LYS 47 far 0 49 0 - 8.5-11.3 HA LEU 14 - HD3 LYS 12 far 0 62 0 - 8.5-11.0 HA LYS 90 - HG12 ILE 15 far 0 100 0 - 9.9-12.9 HA LEU 14 - HB3 ARG 91 far 0 81 0 - 10.0-12.6 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 23 assignments used, quality = 1.00: * HB2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.2-4.1 3.6=71, 3930/1.8=38...(54) HB3 LYS 90 + HD3 LYS 90 OK 76 90 85 100 2.2-4.1 3.6=71, 3.0/3918=34...(50) HB2 LYS 90 - HB3 ARG 91 far 9 86 10 - 3.9-7.3 HB3 LYS 90 - HB3 ARG 91 far 0 71 0 - 4.5-7.3 HG3 ARG 46 - HD2 LYS 47 far 0 64 0 - 4.8-9.6 HB ILE 93 - HD3 LYS 90 far 0 99 0 - 4.9-7.8 HB2 GLU 88 - HB3 ARG 91 far 0 85 0 - 5.2-7.5 HG3 ARG 46 - HD3 LYS 47 far 0 66 0 - 5.4-9.2 HB3 LYS 90 - HD2 LYS 20 far 0 54 0 - 5.5-10.7 HB2 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.7-11.8 HB2 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.8-11.5 HG2 ARG 46 - HD2 LYS 47 far 0 78 0 - 5.9-9.9 HB3 LYS 90 - HD3 LYS 20 far 0 49 0 - 6.4-10.6 HB2 GLU 88 - HD3 LYS 90 far 0 100 0 - 6.7-8.7 HG2 ARG 46 - HD3 LYS 47 far 0 79 0 - 6.7-9.3 HB3 LEU 57 - HG12 ILE 15 far 0 98 0 - 6.8-8.8 HB ILE 93 - HB3 ARG 91 far 0 83 0 - 6.8-7.5 HB3 LEU 57 - HD3 LYS 90 far 0 98 0 - 8.8-12.1 HB ILE 93 - HD2 LYS 20 far 0 65 0 - 8.9-12.0 HB ILE 93 - HD3 LYS 20 far 0 59 0 - 9.2-11.9 HB2 LEU 42 - HD3 LYS 47 far 0 84 0 - 9.4-12.3 HB2 LEU 42 - HD2 LYS 47 far 0 82 0 - 9.8-12.4 HB2 LYS 90 - HG12 ILE 15 far 0 100 0 - 10.0-14.5 Violated in 1 structures by 0.00 A. Peak 3982 from cnoeabs.peaks (1.83, 1.70, 29.44 ppm; 3.00 A): 6 out of 33 assignments used, quality = 0.98: * HB3 LYS 90 + HD3 LYS 90 OK 69 100 70 99 2.2-4.1 3.6=57, 3941/1.8=33...(48) HB2 LYS 90 + HD3 LYS 90 OK 53 90 60 99 2.2-4.1 3.6=57, 1.8/3942=30...(53) HB2 LYS 12 + HD3 LYS 12 OK 44 44 100 99 2.1-3.7 3.6=59, 3.0/386=14...(73) HB2 LYS 12 + HD2 LYS 12 OK 42 44 95 99 2.1-4.0 3.6=59, 1.8/400=13...(73) HB3 LYS 12 + HD2 LYS 12 OK 42 42 100 99 2.5-3.9 3.6=59, ~463=13, ~464=13...(73) HB3 LYS 12 + HD3 LYS 12 OK 35 42 85 99 2.1-4.2 3.6=59, 3.0/386=14...(73) HB2 LYS 90 - HB3 ARG 91 far 4 71 5 - 3.9-7.3 HB3 LYS 90 - HB3 ARG 91 far 0 86 0 - 4.5-7.3 HB ILE 93 - HD3 LYS 90 far 0 75 0 - 4.9-7.8 HB2 GLU 88 - HB3 ARG 91 far 0 67 0 - 5.2-7.5 HB3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.5-10.7 HB2 LYS 90 - HD3 LYS 20 far 0 49 0 - 5.7-11.8 HB2 LYS 90 - HD2 LYS 20 far 0 54 0 - 5.8-11.5 HB2 LYS 12 - HG12 ILE 15 far 0 77 0 - 5.8-7.3 HG2 ARG 46 - HD2 LYS 47 far 0 80 0 - 5.9-9.9 HB3 LYS 90 - HD3 LYS 20 far 0 61 0 - 6.4-10.6 HB3 LYS 12 - HG12 ILE 15 far 0 73 0 - 6.6-7.9 HB2 GLU 88 - HD3 LYS 90 far 0 85 0 - 6.7-8.7 HG2 ARG 46 - HD3 LYS 47 far 0 82 0 - 6.7-9.3 HB3 LEU 57 - HG12 ILE 15 far 0 99 0 - 6.8-8.8 HB ILE 93 - HB3 ARG 91 far 0 58 0 - 6.8-7.5 HB2 LYS 12 - HD3 LYS 20 far 0 40 0 - 8.0-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 45 0 - 8.0-11.1 HB3 LEU 57 - HD3 LYS 90 far 0 99 0 - 8.8-12.1 HB ILE 93 - HD2 LYS 20 far 0 43 0 - 8.9-12.0 HB ILE 93 - HD3 LYS 20 far 0 39 0 - 9.2-11.9 HB VAL 5 - HG12 ILE 15 far 0 82 0 - 9.3-11.3 HB2 LEU 42 - HD3 LYS 47 far 0 63 0 - 9.4-12.3 HB3 LYS 12 - HD3 LYS 20 far 0 38 0 - 9.4-12.5 HB3 LYS 12 - HD2 LYS 20 far 0 42 0 - 9.5-12.4 HB VAL 5 - HD3 LYS 90 far 0 82 0 - 9.7-14.0 HB2 LEU 42 - HD2 LYS 47 far 0 61 0 - 9.8-12.4 HB2 LYS 90 - HG12 ILE 15 far 0 89 0 - 10.0-14.5 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 26 86 35 86 3.5-7.1 7435/3.9=40, 3953=21...(25) HG2 LYS 90 - HD3 LYS 20 far 0 61 0 - 6.0-11.3 HG2 LYS 90 - HD2 LYS 20 far 0 67 0 - 7.4-11.7 HG2 ARG 30 - HG12 ILE 15 far 0 99 0 - 8.8-11.1 HB3 LEU 42 - HD3 LYS 47 far 0 77 0 - 9.1-11.8 HB3 LEU 42 - HD2 LYS 47 far 0 75 0 - 9.8-11.8 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 31 assignments used, quality = 1.00: * HG3 LYS 90 + HD3 LYS 90 OK 97 100 100 97 2.3-2.9 2.9=82, 3916/3918=19...(28) HG3 LYS 12 + HD2 LYS 12 OK 63 64 100 99 2.2-3.0 3.0=79, 464/3.0=30...(53) HG3 LYS 12 + HD3 LYS 12 OK 63 64 100 99 2.5-3.0 3.0=79, 464/3.0=30...(53) HG3 LYS 47 + HD3 LYS 47 OK 44 45 100 98 2.2-3.0 3.0=80, 1.8/2164=8...(83) HG3 LYS 47 + HD2 LYS 47 OK 43 44 100 98 2.4-3.0 3.0=80, 1.8/2164=8...(84) HG2 ARG 19 - HD2 LYS 20 far 3 67 5 - 3.1-9.1 HG2 ARG 19 - HD3 LYS 20 far 0 61 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 80 0 - 4.4-6.8 HG3 LYS 90 - HB3 ARG 91 far 0 86 0 - 4.5-7.6 HD3 LYS 94 - HD3 LYS 90 far 0 97 0 - 4.7-8.9 HG3 LYS 12 - HG12 ILE 15 far 0 99 0 - 5.3-8.0 HG2 ARG 19 - HG12 ILE 15 far 0 100 0 - 5.4-9.6 HG3 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.5-10.4 HG3 LYS 90 - HD2 LYS 20 far 0 67 0 - 6.1-10.5 HG2 LYS 24 - HD3 LYS 20 far 0 61 0 - 6.7-9.3 HG2 LYS 24 - HD2 LYS 20 far 0 67 0 - 7.2-9.8 HB3 LEU 29 - HD2 LYS 20 far 0 63 0 - 7.2-11.0 HG2 LYS 33 - HG12 ILE 15 far 0 65 0 - 7.5-9.3 HB3 LEU 29 - HD3 LYS 20 far 0 57 0 - 7.6-11.3 HG2 ARG 19 - HD3 LYS 12 far 0 67 0 - 7.6-11.8 HG2 ARG 19 - HD2 LYS 12 far 0 67 0 - 7.6-11.3 HB3 LEU 29 - HG12 ILE 15 far 0 98 0 - 8.1-9.6 HB2 ARG 30 - HG12 ILE 15 far 0 92 0 - 8.1-8.9 HG2 LYS 24 - HD3 LYS 90 far 0 100 0 - 8.2-11.4 HB3 GLU 28 - HD2 LYS 47 far 0 70 0 - 8.5-16.0 HG2 LYS 33 - HD2 LYS 12 far 0 37 0 - 8.6-12.2 HG2 LYS 33 - HD3 LYS 12 far 0 37 0 - 8.7-13.3 HB3 GLU 28 - HD3 LYS 47 far 0 71 0 - 8.7-16.3 HG2 ARG 19 - HD3 LYS 90 far 0 100 0 - 8.8-13.6 HB3 LEU 29 - HD3 LYS 90 far 0 98 0 - 9.4-13.6 HG3 LYS 12 - HD2 LYS 20 far 0 64 0 - 9.5-14.1 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 47 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 93 2.5-2.9 2.9=57, 679/2.1=24...(21) 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 HG3 ARG 19 - HD2 LYS 20 far 3 55 5 - 2.0-8.6 HG3 ARG 19 - HD3 LYS 20 far 2 50 5 - 3.3-8.6 HB ILE 15 - HD3 LYS 12 far 0 64 0 - 3.4-6.8 HB ILE 15 - HD2 LYS 12 far 0 64 0 - 3.5-6.8 HD2 LYS 90 - HB3 ARG 91 far 0 86 0 - 3.7-6.7 HD3 LYS 12 - HG12 ILE 15 far 0 59 0 - 3.8-9.1 HD2 LYS 12 - HG12 ILE 15 far 0 59 0 - 4.6-8.7 HG3 ARG 19 - HG12 ILE 15 far 0 90 0 - 5.0-8.6 HD3 LYS 13 - HD3 LYS 12 far 0 35 0 - 5.3-10.3 HD2 LYS 13 - HD3 LYS 12 far 0 33 0 - 5.3-10.4 HD2 LYS 13 - HD2 LYS 12 far 0 33 0 - 5.4-10.1 HD3 LYS 13 - HD2 LYS 12 far 0 35 0 - 5.7-9.8 HD3 LYS 13 - HD2 LYS 20 far 0 35 0 - 6.1-12.5 HD3 LYS 13 - HD3 LYS 20 far 0 32 0 - 6.4-12.9 HD2 LYS 13 - HD3 LYS 20 far 0 29 0 - 6.5-11.8 HG3 ARG 19 - HD3 LYS 12 far 0 55 0 - 6.6-10.7 HD2 LYS 13 - HD2 LYS 20 far 0 33 0 - 6.7-11.4 HG3 ARG 19 - HD2 LYS 12 far 0 55 0 - 6.9-10.6 HD2 LYS 33 - HD3 LYS 12 far 0 61 0 - 6.9-12.0 HD2 LYS 90 - HD2 LYS 20 far 0 67 0 - 7.0-11.3 HD2 LYS 90 - HD3 LYS 20 far 0 61 0 - 7.2-11.2 HD3 LYS 33 - HD3 LYS 12 far 0 61 0 - 7.3-12.1 HD2 LYS 33 - HD2 LYS 12 far 0 61 0 - 7.4-11.4 HB2 LEU 2 - HD3 LYS 47 far 0 45 0 - 7.4-14.1 HB2 LEU 2 - HD2 LYS 47 far 0 44 0 - 7.4-13.4 HG3 ARG 19 - HD3 LYS 90 far 0 91 0 - 7.4-12.8 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 7.5-10.7 HD3 LYS 33 - HD2 LYS 12 far 0 61 0 - 7.5-11.9 HD2 LYS 33 - HG12 ILE 15 far 0 96 0 - 7.6-9.8 HB ILE 15 - HD3 LYS 20 far 0 58 0 - 7.6-10.9 HD3 LYS 33 - HG12 ILE 15 far 0 96 0 - 8.0-10.0 HD3 LYS 12 - HD2 LYS 20 far 0 33 0 - 8.4-13.8 HD2 LYS 13 - HG12 ILE 15 far 0 59 0 - 8.5-11.4 HD3 LYS 12 - HD3 LYS 20 far 0 29 0 - 8.6-13.6 HB2 GLU 28 - HD3 LYS 47 far 0 84 0 - 8.7-17.1 HD2 LYS 12 - HD2 LYS 20 far 0 33 0 - 8.8-14.2 HD2 ARG 81 - HB3 ARG 91 far 0 80 0 - 8.8-13.0 HB2 GLU 28 - HD2 LYS 47 far 0 83 0 - 8.9-16.9 HD3 LYS 13 - HG12 ILE 15 far 0 63 0 - 8.9-11.7 HD2 LYS 12 - HD3 LYS 20 far 0 29 0 - 8.9-14.3 HB ILE 15 - HD3 LYS 90 far 0 99 0 - 9.1-14.0 HD2 LYS 13 - HD3 LYS 90 far 0 59 0 - 9.6-15.1 HD2 LYS 90 - HG12 ILE 15 far 0 100 0 - 9.7-14.1 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 5 assignments used, quality = 1.00: * HE2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 90 - HB3 ARG 91 far 13 86 15 - 4.8-8.8 HE2 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.8-12.8 HE2 LYS 90 - HD2 LYS 20 far 0 67 0 - 7.2-12.9 HE2 LYS 90 - HG12 ILE 15 far 0 100 0 - 8.7-14.9 Violated in 0 structures by 0.00 A. Peak 3988 from cnoeabs.peaks (2.94, 1.70, 29.44 ppm; 3.13 A): 11 out of 51 assignments used, quality = 1.00: * HE3 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 47 47 100 100 2.3-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD2 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 2.2-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 45 45 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.2-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 15 100 15 - 2.5-6.2 HE3 LYS 90 - HB3 ARG 91 far 4 86 5 - 3.7-9.0 HE2 LYS 94 - HB3 ARG 91 far 0 78 0 - 4.4-9.6 HE3 LYS 90 - HD3 LYS 20 far 0 61 0 - 4.5-12.2 HE3 LYS 94 - HB3 ARG 91 far 0 67 0 - 4.6-8.8 HE2 LYS 20 - HD3 LYS 90 far 0 87 0 - 4.7-13.8 HE3 LYS 24 - HD3 LYS 20 far 0 45 0 - 5.0-11.4 HE3 LYS 13 - HD3 LYS 12 far 0 54 0 - 5.2-11.2 HE3 LYS 12 - HG12 ILE 15 far 0 78 0 - 5.6-9.2 HG2 MET 21 - HB3 ARG 91 far 0 85 0 - 6.0-9.2 HG2 MET 21 - HD3 LYS 20 far 0 61 0 - 6.0-9.2 HE3 LYS 94 - HD3 LYS 90 far 0 85 0 - 6.1-11.8 HE3 LYS 24 - HD2 LYS 20 far 0 50 0 - 6.2-12.0 HE3 LYS 90 - HD2 LYS 20 far 0 67 0 - 6.2-12.3 HB3 PHE 45 - HD3 LYS 47 far 0 57 0 - 6.3-10.2 HE2 LYS 24 - HD3 LYS 20 far 0 45 0 - 6.3-12.1 HB3 PHE 45 - HD2 LYS 47 far 0 55 0 - 6.3-9.6 HE3 LYS 20 - HD3 LYS 90 far 0 88 0 - 6.3-12.5 HE2 LYS 13 - HD2 LYS 12 far 0 52 0 - 6.4-11.7 HE2 LYS 24 - HD2 LYS 20 far 0 50 0 - 6.5-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 54 0 - 6.6-11.3 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.6-10.0 HE2 LYS 13 - HD3 LYS 12 far 0 52 0 - 6.6-11.5 HE2 LYS 13 - HD3 LYS 20 far 0 47 0 - 6.6-14.0 HE2 LYS 94 - HD3 LYS 90 far 0 96 0 - 6.7-11.2 HE2 LYS 13 - HD2 LYS 20 far 0 52 0 - 6.7-13.3 HB2 ASN 10 - HD2 LYS 12 far 0 65 0 - 6.7-10.9 HB2 ASN 10 - HD3 LYS 12 far 0 65 0 - 6.9-10.7 HE3 LYS 13 - HD3 LYS 20 far 0 49 0 - 7.6-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 54 0 - 8.0-13.0 HE3 LYS 90 - HG12 ILE 15 far 0 100 0 - 8.0-14.9 HE3 LYS 12 - HD3 LYS 20 far 0 41 0 - 8.1-13.8 HB2 ASN 10 - HG12 ILE 15 far 0 99 0 - 8.2-9.0 HE3 LYS 12 - HD2 LYS 20 far 0 46 0 - 8.2-15.0 HE3 LYS 20 - HD2 LYS 12 far 0 53 0 - 8.3-16.6 HE2 LYS 13 - HD3 LYS 90 far 0 87 0 - 9.0-17.1 HE2 LYS 24 - HD3 LYS 90 far 0 84 0 - 9.0-13.9 HE2 LYS 20 - HD3 LYS 12 far 0 52 0 - 9.7-15.9 HE2 LYS 20 - HD2 LYS 12 far 0 52 0 - 9.7-16.6 HE3 LYS 20 - HD3 LYS 12 far 0 53 0 - 9.9-15.8 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 17 assignments used, quality = 1.00: H ARG 91 + HB3 ARG 91 OK 86 86 100 100 2.2-3.6 3.9=82, 4025/1.8=72...(20) H LYS 47 + HD2 LYS 47 OK 70 83 85 100 3.4-4.7 6773/3.0=61, 6772/3.0=53...(34) * H ARG 91 + HD3 LYS 90 OK 70 100 70 99 2.1-5.8 7437/1.8=68, 7435/2.9=46...(23) H LYS 47 + HD3 LYS 47 OK 63 84 75 100 3.2-4.9 6773/3.0=61, 6772/3.0=53...(40) HE ARG 19 - HD2 LYS 20 far 3 58 5 - 4.4-9.7 HE ARG 19 - HD3 LYS 20 far 3 53 5 - 3.0-10.7 HE ARG 19 - HG12 ILE 15 far 0 93 0 - 4.8-9.3 HE ARG 19 - HD3 LYS 12 far 0 58 0 - 5.4-12.4 HE3 TRP 92 - HB3 ARG 91 far 0 45 0 - 6.0-8.0 HE ARG 19 - HD2 LYS 12 far 0 58 0 - 6.1-11.8 HE ARG 46 - HD2 LYS 47 far 0 83 0 - 6.2-10.6 HZ2 TRP 92 - HB3 ARG 91 far 0 72 0 - 6.6-9.0 HE ARG 46 - HD3 LYS 47 far 0 84 0 - 6.6-10.8 HE3 TRP 92 - HD3 LYS 90 far 0 59 0 - 9.0-11.9 H ARG 91 - HD2 LYS 20 far 0 67 0 - 9.3-13.4 HZ2 TRP 92 - HD3 LYS 90 far 0 91 0 - 9.6-14.0 H ARG 91 - HD3 LYS 20 far 0 61 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 3990 from cnoeabs.peaks (8.05, 2.81, 41.80 ppm; 5.31 A): 3 out of 9 assignments used, quality = 1.00: * H LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.9-5.3 7423=100, 7421/3.0=88...(18) H GLY 101 + HE3 LYS 53 OK 46 63 95 77 3.4-7.7 3.0/12004=25, ~12004=23...(11) H GLY 101 + HE2 LYS 53 OK 43 69 80 77 2.7-7.1 3.0/12004=26, ~12004=22...(11) H SER 102 - HE3 LYS 53 poor 19 73 90 28 3.6-8.3 3.6/12004=23, 3.6/12121=5 H SER 102 - HE2 LYS 53 poor 13 80 55 29 2.3-7.9 3.6/12004=24, 3.6/12119=5 H GLU 17 - HE2 LYS 90 poor 12 95 30 42 5.5-9.1 6258/12236=23...(8) H ILE 15 - HE2 LYS 90 far 0 81 0 - 6.5-12.2 H GLU 16 - HE2 LYS 90 far 0 77 0 - 7.4-11.8 H LYS 13 - HE2 LYS 90 far 0 79 0 - 9.3-14.1 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 4.2-6.2 3917/3.0=98, 3918/3.0=96...(45) HA GLU 88 + HE2 LYS 90 OK 56 99 60 94 5.4-8.3 9904/9907=75...(10) HA LEU 14 - HE2 LYS 90 poor 16 98 35 47 4.0-9.3 8478/12236=21...(5) 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 11 assignments used, quality = 0.99: * HB2 LYS 90 + HE2 LYS 90 OK 85 100 85 100 3.0-5.2 4.8=52, ~4005=41...(46) HB3 LYS 90 + HE2 LYS 90 OK 76 90 85 100 3.5-4.9 4.8=52, ~4005=41...(40) HB2 LYS 53 + HE2 LYS 53 OK 57 60 95 100 2.8-4.9 5.0=46, ~2451=43...(43) HB2 LYS 53 + HE3 LYS 53 OK 49 55 90 100 2.1-4.9 5.0=46, ~2451=43...(43) HB2 GLU 104 - HE2 LYS 53 far 0 85 0 - 6.0-15.1 HB2 GLU 88 - HE2 LYS 90 far 0 100 0 - 6.4-9.0 HB ILE 93 - HE2 LYS 90 far 0 99 0 - 6.5-9.4 HB VAL 78 - HE3 LYS 53 far 0 50 0 - 7.2-11.7 HB3 LEU 57 - HE2 LYS 90 far 0 98 0 - 7.4-13.2 HB2 GLU 104 - HE3 LYS 53 far 0 78 0 - 7.7-13.8 HB VAL 78 - HE2 LYS 53 far 0 56 0 - 7.9-11.6 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 11 assignments used, quality = 1.00: * HB3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 3.5-4.9 4.8=58, ~4005=44...(40) HB2 LYS 90 + HE2 LYS 90 OK 85 90 95 100 3.0-5.2 4.8=58, ~4005=44...(46) HB2 LYS 53 + HE2 LYS 53 OK 83 83 100 100 2.8-4.9 5.0=51, ~2451=46...(44) HB2 LYS 53 + HE3 LYS 53 OK 77 77 100 100 2.1-4.9 5.0=51, ~2451=46...(45) HB2 GLU 104 - HE2 LYS 53 far 0 66 0 - 6.0-15.1 HB2 GLU 88 - HE2 LYS 90 far 0 85 0 - 6.4-9.0 HB ILE 93 - HE2 LYS 90 far 0 75 0 - 6.5-9.4 HB3 LEU 57 - HE2 LYS 90 far 0 99 0 - 7.4-13.2 HB2 GLU 104 - HE3 LYS 53 far 0 60 0 - 7.7-13.8 HB3 GLU 104 - HE2 LYS 53 far 0 49 0 - 7.8-16.5 HB3 GLU 104 - HE3 LYS 53 far 0 44 0 - 9.4-15.2 Violated in 0 structures by 0.00 A. Peak 3994 from cnoeabs.peaks (1.29, 2.81, 41.80 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.6-4.0 3.8=100 HG LEU 3 - HE2 LYS 53 far 4 81 5 - 4.8-8.1 HG LEU 3 - HE3 LYS 53 far 0 74 0 - 5.4-8.1 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 2.1-3.7 3.8=95, ~4005=50...(25) 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 2.2-2.9 3.0=100 HG LEU 103 - HE2 LYS 53 far 0 85 0 - 4.8-12.4 HG LEU 103 - HE3 LYS 53 far 0 78 0 - 5.4-11.4 HB2 LEU 3 - HE3 LYS 53 far 0 52 0 - 5.7-9.4 HB2 ARG 79 - HE3 LYS 53 far 0 71 0 - 6.0-9.8 HB2 LEU 103 - HE2 LYS 53 far 0 85 0 - 6.1-12.6 HB2 LEU 3 - HE2 LYS 53 far 0 57 0 - 6.1-9.6 HB2 ARG 79 - HE2 LYS 53 far 0 77 0 - 6.3-11.2 HD3 LYS 94 - HE2 LYS 90 far 0 97 0 - 6.4-9.4 HB2 LEU 103 - HE3 LYS 53 far 0 78 0 - 7.0-11.7 HG2 LYS 24 - HE2 LYS 90 far 0 100 0 - 8.7-11.3 HG2 ARG 19 - HE2 LYS 90 far 0 100 0 - 9.4-14.5 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 9 assignments used, quality = 1.00: * HD2 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 19 - HE2 LYS 90 far 0 91 0 - 7.9-13.2 HD3 LYS 13 - HE2 LYS 90 far 0 63 0 - 8.1-14.5 HB ILE 15 - HE2 LYS 90 far 0 99 0 - 8.3-13.8 HD2 LYS 13 - HE2 LYS 90 far 0 59 0 - 8.8-13.6 HB2 LEU 2 - HE2 LYS 53 far 0 46 0 - 9.3-11.7 HD2 ARG 81 - HE3 LYS 53 far 0 72 0 - 9.5-17.6 HB2 LEU 2 - HE3 LYS 53 far 0 41 0 - 9.5-11.5 HD2 ARG 81 - HE2 LYS 53 far 0 79 0 - 9.8-17.5 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 19 assignments used, quality = 1.00: * HD3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 53 + HE2 LYS 53 OK 49 81 60 100 2.5-5.2 2451/3.0=59, 2440/3.0=37...(42) HB3 LYS 53 + HE3 LYS 53 OK 33 75 45 100 3.2-5.1 2451/3.0=59, 2440/3.0=37...(42) HG2 PRO 86 - HE2 LYS 90 far 0 100 0 - 4.8-7.9 HB3 ARG 91 - HE2 LYS 90 far 0 97 0 - 4.8-8.8 HD3 LYS 20 - HE2 LYS 90 far 0 90 0 - 5.8-12.8 HG3 LYS 20 - HE2 LYS 90 far 0 90 0 - 6.0-12.0 HB ILE 52 - HE3 LYS 53 far 0 59 0 - 6.9-9.7 HB ILE 52 - HE2 LYS 53 far 0 65 0 - 7.0-9.6 HD2 LYS 20 - HE2 LYS 90 far 0 93 0 - 7.2-12.9 HD3 LYS 13 - HE2 LYS 90 far 0 100 0 - 8.1-14.5 HB ILE 15 - HE2 LYS 90 far 0 71 0 - 8.3-13.8 HG12 ILE 15 - HE2 LYS 90 far 0 100 0 - 8.7-14.9 HD2 LYS 13 - HE2 LYS 90 far 0 100 0 - 8.8-13.6 HB2 LEU 2 - HE2 LYS 53 far 0 84 0 - 9.3-11.7 HD3 LYS 24 - HE2 LYS 90 far 0 100 0 - 9.4-13.7 HD2 ARG 81 - HE3 LYS 53 far 0 55 0 - 9.5-17.6 HB2 LEU 2 - HE3 LYS 53 far 0 78 0 - 9.5-11.5 HD2 ARG 81 - HE2 LYS 53 far 0 60 0 - 9.8-17.5 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 13 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 - HE2 LYS 53 far 0 82 0 - 4.0-7.7 HG2 MET 21 - HE2 LYS 90 far 0 100 0 - 4.3-7.5 HB2 ASN 51 - HE3 LYS 53 far 0 75 0 - 4.8-8.0 HE3 LYS 20 - HE2 LYS 90 far 0 88 0 - 5.6-12.6 HE2 LYS 20 - HE2 LYS 90 far 0 87 0 - 5.8-13.9 HE3 LYS 94 - HE2 LYS 90 far 0 85 0 - 6.9-12.1 HE2 LYS 94 - HE2 LYS 90 far 0 96 0 - 7.5-12.1 HE2 LYS 13 - HE2 LYS 90 far 0 87 0 - 8.3-16.1 HB3 PHE 45 - HE3 LYS 53 far 0 52 0 - 9.3-11.9 HE3 LYS 24 - HE2 LYS 90 far 0 84 0 - 9.4-14.4 HB3 PHE 45 - HE2 LYS 53 far 0 57 0 - 9.7-12.5 HE3 LYS 13 - HE2 LYS 90 far 0 90 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 4001 from cnoeabs.peaks (8.05, 2.94, 41.80 ppm; 5.16 A): 3 out of 36 assignments used, quality = 1.00: * H LYS 90 + HE3 LYS 90 OK 100 100 100 100 3.9-5.6 7419/4005=86...(22) H LYS 13 + HE3 LYS 13 OK 52 55 95 100 3.9-6.4 6177/3.8=57, 6176/3.8=56...(27) H LYS 13 + HE2 LYS 13 OK 46 51 90 100 4.2-6.9 6177/3.8=57, 6176/3.8=56...(26) H GLU 17 - HE3 LYS 90 poor 20 95 30 69 4.1-9.5 6257/11024=49...(9) H GLU 17 - HE3 LYS 20 poor 17 67 25 - 4.4-8.4 H GLU 17 - HE2 LYS 20 poor 16 65 40 63 3.9-8.3 6250/10530=16, 2.9/938=8...(16) H LYS 13 - HE3 LYS 12 poor 12 40 30 - 5.1-7.7 H GLU 17 - HE2 LYS 13 far 7 65 10 - 5.6-9.8 H GLU 16 - HE3 LYS 12 far 6 39 15 - 5.1-8.8 H ILE 15 - HE3 LYS 90 far 4 81 5 - 5.7-12.4 H GLU 16 - HE3 LYS 90 far 4 77 5 - 6.0-12.0 H GLU 16 - HE3 LYS 20 far 3 51 5 - 5.5-9.8 H GLU 16 - HE2 LYS 20 far 2 49 5 - 5.5-9.3 H GLU 75 - HE3 LYS 73 far 0 72 0 - 6.2-9.3 H GLU 16 - HE2 LYS 13 far 0 49 0 - 6.2-9.7 H ILE 15 - HE3 LYS 12 far 0 42 0 - 6.5-8.9 H GLU 17 - HE3 LYS 13 far 0 70 0 - 6.9-9.6 H GLU 75 - HE2 LYS 73 far 0 65 0 - 7.0-9.3 H ILE 15 - HE2 LYS 13 far 0 52 0 - 7.1-9.6 H GLU 16 - HE3 LYS 13 far 0 53 0 - 7.1-8.7 H GLU 17 - HE3 LYS 12 far 0 53 0 - 7.5-11.6 H LYS 90 - HE2 LYS 20 far 0 73 0 - 7.5-13.0 H ILE 15 - HE3 LYS 13 far 0 56 0 - 7.5-8.8 H LYS 90 - HE3 LYS 94 far 0 71 0 - 7.6-11.1 H LYS 90 - HE2 LYS 94 far 0 90 0 - 7.6-11.4 H LYS 39 - HE2 LYS 73 far 0 53 0 - 7.7-13.6 H ILE 15 - HE2 LYS 20 far 0 52 0 - 7.7-11.7 H ILE 15 - HE3 LYS 20 far 0 54 0 - 8.0-12.1 H LYS 90 - HE3 LYS 20 far 0 76 0 - 8.3-12.6 H LYS 13 - HE3 LYS 90 far 0 79 0 - 8.4-14.4 H LYS 39 - HE3 LYS 73 far 0 59 0 - 8.7-13.7 H LYS 13 - HE2 LYS 20 far 0 51 0 - 8.7-12.9 H LYS 13 - HE3 LYS 20 far 0 53 0 - 8.7-13.5 H GLU 75 - HE3 LYS 68 far 0 41 0 - 9.8-14.3 H GLU 75 - HE2 LYS 68 far 0 45 0 - 10.0-13.8 H GLU 17 - HE3 LYS 24 far 0 60 0 - 10.0-16.1 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 40 assignments used, quality = 0.99: * HB2 LYS 90 + HE3 LYS 90 OK 85 100 85 100 3.6-5.5 2.8/4005=69, 4.8=59...(39) HB3 LYS 90 + HE3 LYS 90 OK 80 90 90 100 3.6-5.3 2.8/4005=69, 4.8=59...(32) HB2 LYS 68 + HE2 LYS 68 OK 50 50 100 100 2.4-4.4 5.0=54, ~3055=19...(70) HB2 LYS 68 + HE3 LYS 68 OK 46 46 100 100 2.2-4.5 5.0=54, ~3055=19...(70) HB2 LYS 90 - HE2 LYS 20 far 4 73 5 - 4.8-12.3 HB3 LYS 90 - HE3 LYS 94 far 3 57 5 - 4.7-10.0 HB3 LYS 90 - HE2 LYS 20 far 0 60 0 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 0 76 0 - 5.2-10.0 HB3 LYS 90 - HE3 LYS 20 far 0 62 0 - 5.5-11.3 HB2 LYS 90 - HE3 LYS 94 far 0 71 0 - 5.5-10.9 HB2 LYS 90 - HE2 LYS 94 far 0 90 0 - 5.6-10.7 HB2 LYS 90 - HE3 LYS 20 far 0 76 0 - 5.7-12.1 HB2 LYS 39 - HE2 LYS 73 far 0 86 0 - 6.1-12.3 HB ILE 93 - HE2 LYS 94 far 0 88 0 - 6.2-8.8 HB2 LYS 39 - HE3 LYS 73 far 0 93 0 - 6.6-12.7 HB ILE 93 - HE3 LYS 94 far 0 68 0 - 6.7-9.0 HB ILE 93 - HE3 LYS 90 far 0 99 0 - 6.8-9.1 HB2 GLU 88 - HE3 LYS 90 far 0 100 0 - 7.1-9.3 HB2 LEU 42 - HE2 LYS 73 far 0 91 0 - 7.5-13.2 HB3 LYS 90 - HE3 LYS 24 far 0 55 0 - 7.9-12.5 HB3 GLU 63 - HE2 LYS 68 far 0 40 0 - 8.0-11.9 HB3 LEU 57 - HE3 LYS 90 far 0 98 0 - 8.1-13.5 HB VAL 78 - HE3 LYS 68 far 0 39 0 - 8.3-13.9 HB3 GLU 63 - HE3 LYS 68 far 0 36 0 - 8.4-12.6 HB ILE 93 - HE3 LYS 24 far 0 66 0 - 8.5-12.3 HB3 LYS 90 - HE2 LYS 24 far 0 55 0 - 8.5-13.5 HB2 LYS 68 - HE3 LYS 73 far 0 78 0 - 8.6-13.6 HB2 LEU 42 - HE3 LYS 73 far 0 97 0 - 8.7-13.2 HB2 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.8-13.0 HB VAL 78 - HE2 LYS 68 far 0 43 0 - 8.9-13.7 HB ILE 93 - HE2 LYS 20 far 0 71 0 - 9.0-12.2 HB2 LYS 90 - HE2 LYS 13 far 0 73 0 - 9.1-17.7 HB ILE 93 - HE2 LYS 24 far 0 66 0 - 9.3-12.7 HB ILE 93 - HE3 LYS 20 far 0 73 0 - 9.4-12.6 HG2 ARG 46 - HE2 LYS 73 far 0 87 0 - 9.4-16.1 HB2 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.7-14.0 HG3 ARG 46 - HE2 LYS 73 far 0 73 0 - 9.7-16.4 HB2 LYS 68 - HE2 LYS 73 far 0 72 0 - 9.8-12.3 HG3 ARG 46 - HE3 LYS 73 far 0 80 0 - 9.8-16.5 HG2 ARG 46 - HE3 LYS 73 far 0 93 0 - 9.9-16.4 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 55 assignments used, quality = 1.00: * HB3 LYS 90 + HE3 LYS 90 OK 100 100 100 100 3.6-5.3 2.8/4005=78, 4.8=75...(33) HB2 LYS 90 + HE3 LYS 90 OK 81 90 90 100 3.6-5.5 2.8/4005=78, 4.8=75...(38) HB2 LYS 68 + HE2 LYS 68 OK 68 68 100 100 2.4-4.4 5.0=68, ~3055=23...(70) HB2 LYS 68 + HE3 LYS 68 OK 62 62 100 100 2.2-4.5 5.0=68, ~3055=23...(71) HB2 LYS 12 + HE3 LYS 12 OK 37 39 95 100 2.1-5.5 4.8=76, ~463=51, ~423=40...(67) HB3 LYS 68 + HE2 LYS 68 OK 36 36 100 100 3.3-4.9 5.0=68, ~3055=23...(66) HB3 LYS 68 + HE3 LYS 68 OK 33 33 100 100 3.1-4.9 5.0=68, ~3055=23...(67) HB3 LYS 12 + HE3 LYS 12 OK 30 37 80 100 2.4-5.4 4.8=76, ~463=51, ~423=40...(67) HB3 LYS 12 - HE3 LYS 13 poor 18 50 35 - 4.1-8.1 HB3 LYS 12 - HE2 LYS 13 poor 14 46 30 - 4.2-8.6 HB2 LYS 12 - HE3 LYS 13 far 8 53 15 - 4.8-9.0 HB3 LYS 90 - HE2 LYS 20 far 7 73 10 - 5.1-11.5 HB3 LYS 90 - HE2 LYS 94 far 5 90 5 - 5.2-10.0 HB3 LYS 90 - HE3 LYS 94 far 4 71 5 - 4.7-10.0 HB2 LYS 90 - HE2 LYS 20 far 3 60 5 - 4.8-12.3 HB2 LYS 12 - HE2 LYS 13 far 0 49 0 - 5.4-9.2 HB3 LYS 90 - HE3 LYS 20 far 0 76 0 - 5.5-11.3 HB2 LYS 90 - HE3 LYS 94 far 0 57 0 - 5.5-10.9 HB2 LYS 90 - HE2 LYS 94 far 0 76 0 - 5.6-10.7 HB2 LYS 90 - HE3 LYS 20 far 0 62 0 - 5.7-12.1 HB3 LYS 39 - HE2 LYS 73 far 0 69 0 - 5.8-12.1 HB2 LYS 39 - HE2 LYS 73 far 0 55 0 - 6.1-12.3 HB ILE 93 - HE2 LYS 94 far 0 62 0 - 6.2-8.8 HB2 LYS 39 - HE3 LYS 73 far 0 61 0 - 6.6-12.7 HB ILE 93 - HE3 LYS 94 far 0 46 0 - 6.7-9.0 HB3 LYS 39 - HE3 LYS 73 far 0 75 0 - 6.8-12.3 HB ILE 93 - HE3 LYS 90 far 0 75 0 - 6.8-9.1 HB3 LYS 66 - HE2 LYS 68 far 0 49 0 - 7.1-11.4 HB2 GLU 88 - HE3 LYS 90 far 0 85 0 - 7.1-9.3 HB3 LYS 66 - HE3 LYS 68 far 0 45 0 - 7.4-11.2 HB2 LEU 42 - HE2 LYS 73 far 0 70 0 - 7.5-13.2 HB2 LYS 12 - HE3 LYS 20 far 0 51 0 - 7.8-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 49 0 - 7.9-12.9 HB3 LYS 90 - HE3 LYS 24 far 0 68 0 - 7.9-12.5 HB3 LEU 57 - HE3 LYS 90 far 0 99 0 - 8.1-13.5 HB ILE 93 - HE3 LYS 24 far 0 44 0 - 8.5-12.3 HB3 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.5-13.5 HB2 LYS 68 - HE3 LYS 73 far 0 97 0 - 8.6-13.6 HB2 LEU 42 - HE3 LYS 73 far 0 77 0 - 8.7-13.2 HB2 LYS 90 - HE3 LYS 24 far 0 55 0 - 8.8-13.0 HB3 LYS 68 - HE3 LYS 73 far 0 59 0 - 8.9-14.2 HB3 LYS 66 - HE2 LYS 73 far 0 70 0 - 9.0-13.0 HB ILE 93 - HE2 LYS 20 far 0 48 0 - 9.0-12.2 HB2 LYS 90 - HE2 LYS 13 far 0 60 0 - 9.1-17.7 HB3 LYS 12 - HE3 LYS 20 far 0 48 0 - 9.3-14.0 HB ILE 93 - HE2 LYS 24 far 0 44 0 - 9.3-12.7 HB ILE 93 - HE3 LYS 20 far 0 50 0 - 9.4-12.6 HG2 ARG 46 - HE2 LYS 73 far 0 90 0 - 9.4-16.1 HB3 LYS 66 - HE3 LYS 73 far 0 77 0 - 9.5-12.9 HB3 LYS 12 - HE2 LYS 20 far 0 46 0 - 9.5-13.8 HB3 LYS 68 - HE2 LYS 73 far 0 53 0 - 9.5-12.8 HB2 LYS 90 - HE2 LYS 24 far 0 55 0 - 9.7-14.0 HB2 LYS 68 - HE2 LYS 73 far 0 91 0 - 9.8-12.3 HG2 ARG 46 - HE3 LYS 73 far 0 96 0 - 9.9-16.4 HB2 LYS 12 - HE3 LYS 90 far 0 77 0 - 9.9-16.6 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 7 assignments used, quality = 1.00: * HG2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.6-3.8 3.8=91, 9911/9906=29...(41) HG2 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.2-12.0 HG2 LYS 90 - HE2 LYS 20 far 0 73 0 - 7.1-13.0 HG2 LYS 90 - HE3 LYS 94 far 0 71 0 - 7.5-10.5 HG2 LYS 90 - HE2 LYS 94 far 0 90 0 - 7.6-10.7 HB3 LEU 42 - HE2 LYS 73 far 0 84 0 - 7.8-13.0 HB3 LEU 42 - HE3 LYS 73 far 0 91 0 - 8.6-13.2 Violated in 1 structures by 0.01 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 94 100 100 94 2.1-3.7 3.8=53, 1.8/4005=51...(17) HD3 LYS 94 + HE2 LYS 94 OK 85 85 100 100 2.3-3.0 3.0=100 HG3 LYS 73 + HE2 LYS 73 OK 83 86 100 97 2.4-4.0 4.0=45, 3298/3.0=20...(82) HG2 LYS 24 + HE3 LYS 24 OK 66 68 100 97 2.4-3.7 3.7=56, 1121/3.0=11...(77) HG2 LYS 24 + HE2 LYS 24 OK 66 68 100 97 2.0-3.9 3.7=56, 1121/3.0=11...(77) HD3 LYS 94 + HE3 LYS 94 OK 65 65 100 100 2.3-3.0 3.0=100 HG3 LYS 73 + HE3 LYS 73 OK 63 93 70 97 2.3-4.2 4.0=45, 3298/3.0=20...(82) HG3 LYS 12 + HE3 LYS 12 OK 49 57 90 94 2.4-4.2 4.0=46, ~463=34, ~423=25...(37) HG2 ARG 19 - HE3 LYS 20 far 4 76 5 - 3.2-9.8 HG2 ARG 19 - HE2 LYS 20 far 0 73 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 90 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 71 0 - 5.2-11.5 HG2 LYS 24 - HE2 LYS 20 far 0 73 0 - 5.4-11.8 HG3 LYS 90 - HE2 LYS 20 far 0 73 0 - 5.6-11.8 HG3 LYS 90 - HE3 LYS 20 far 0 76 0 - 5.6-10.7 HG2 LYS 24 - HE3 LYS 20 far 0 76 0 - 5.9-11.4 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 6.1-10.8 HG3 LYS 12 - HE3 LYS 13 far 0 75 0 - 6.1-10.1 HD2 LYS 66 - HE2 LYS 73 far 0 83 0 - 6.2-13.7 HD3 LYS 94 - HE3 LYS 90 far 0 97 0 - 6.3-9.9 HG3 LYS 90 - HE3 LYS 94 far 0 71 0 - 6.5-10.8 HG3 LYS 90 - HE2 LYS 94 far 0 90 0 - 6.8-10.7 HB2 ARG 79 - HE3 LYS 68 far 0 56 0 - 6.9-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 63 0 - 7.0-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 59 0 - 7.5-13.8 HD3 LYS 82 - HE3 LYS 68 far 0 54 0 - 7.6-13.7 HG3 LYS 73 - HE3 LYS 68 far 0 58 0 - 7.6-12.6 HB2 ARG 79 - HE2 LYS 68 far 0 61 0 - 7.7-13.1 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 7.8-12.8 HD2 LYS 66 - HE3 LYS 73 far 0 90 0 - 7.9-13.3 HB3 LEU 29 - HE3 LYS 20 far 0 72 0 - 8.0-12.1 HD3 LYS 94 - HE2 LYS 24 far 0 63 0 - 8.1-13.5 HG LEU 103 - HE2 LYS 68 far 0 68 0 - 8.3-22.3 HG2 ARG 19 - HE3 LYS 90 far 0 100 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 100 0 - 8.3-12.2 HD2 LYS 66 - HE3 LYS 68 far 0 55 0 - 8.4-13.6 HG LEU 27 - HE2 LYS 24 far 0 63 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 60 0 - 8.5-13.8 HG LEU 27 - HE2 LYS 94 far 0 85 0 - 8.5-13.2 HG2 LYS 33 - HE3 LYS 12 far 0 32 0 - 8.6-13.8 HD3 LYS 94 - HE2 LYS 20 far 0 68 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 69 0 - 8.9-11.4 HG3 LYS 90 - HE2 LYS 13 far 0 73 0 - 9.0-15.4 HG LEU 103 - HE3 LYS 68 far 0 63 0 - 9.2-21.2 HD3 LYS 94 - HE3 LYS 20 far 0 70 0 - 9.3-15.7 HG3 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.4-13.3 HD3 LYS 94 - HE3 LYS 24 far 0 63 0 - 9.4-13.0 HB3 LEU 29 - HE3 LYS 90 far 0 98 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 24 far 0 63 0 - 9.7-11.7 HG LEU 27 - HE3 LYS 94 far 0 65 0 - 9.7-12.7 HB3 LEU 29 - HE2 LYS 24 far 0 64 0 - 9.7-14.1 HG3 LYS 90 - HE3 LYS 24 far 0 68 0 - 9.8-13.3 HG2 ARG 19 - HE3 LYS 24 far 0 68 0 - 9.9-15.9 HG2 ARG 19 - HE2 LYS 24 far 0 68 0 - 9.9-15.3 HB3 LEU 29 - HE3 LYS 24 far 0 64 0 - 9.9-14.5 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 62 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 2.2-3.0 2.9=100 HD3 LYS 13 + HE2 LYS 13 OK 39 39 100 100 2.3-3.0 2.9=100 HD2 LYS 13 + HE2 LYS 13 OK 36 36 100 100 2.4-3.0 2.9=100 HD3 LYS 12 + HE3 LYS 12 OK 29 29 100 100 2.2-3.0 3.0=100 HD2 LYS 12 + HE3 LYS 12 OK 29 29 100 100 2.3-3.0 3.0=100 HG3 ARG 19 - HE3 LYS 20 far 6 63 10 - 2.9-9.2 HG3 ARG 19 - HE2 LYS 20 far 3 61 5 - 4.1-9.0 HB ILE 15 - HE3 LYS 12 far 0 57 0 - 4.4-7.6 HD3 LYS 13 - HE3 LYS 12 far 0 31 0 - 4.6-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 40 0 - 5.2-11.2 HD2 LYS 90 - HE3 LYS 94 far 0 71 0 - 5.3-10.4 HD2 LYS 13 - HE3 LYS 12 far 0 29 0 - 5.4-12.0 HD2 ARG 81 - HE3 LYS 68 far 0 58 0 - 5.5-10.9 HB3 LEU 70 - HE3 LYS 73 far 0 82 0 - 5.6-9.6 HB3 LEU 70 - HE2 LYS 73 far 0 75 0 - 5.7-8.6 HD2 LYS 90 - HE2 LYS 94 far 0 90 0 - 5.8-11.1 HD3 LYS 66 - HE2 LYS 73 far 0 51 0 - 5.8-13.6 HD2 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.2-12.0 HD2 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.4-12.2 HD2 LYS 12 - HE2 LYS 13 far 0 36 0 - 6.4-11.7 HG3 ARG 19 - HE3 LYS 12 far 0 49 0 - 6.4-12.0 HD2 LYS 12 - HE3 LYS 13 far 0 40 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 36 0 - 6.6-11.5 HD2 ARG 81 - HE2 LYS 68 far 0 63 0 - 6.6-11.3 HD2 LYS 33 - HE3 LYS 12 far 0 54 0 - 6.6-12.6 HG3 ARG 19 - HE3 LYS 90 far 0 91 0 - 6.7-13.4 HD3 LYS 13 - HE2 LYS 20 far 0 39 0 - 6.8-14.0 HD3 LYS 66 - HE2 LYS 68 far 0 35 0 - 6.8-12.2 HB3 LYS 82 - HE2 LYS 68 far 0 52 0 - 6.9-12.4 HB ILE 56 - HE3 LYS 68 far 0 48 0 - 6.9-10.9 HD3 LYS 13 - HE3 LYS 20 far 0 41 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 36 0 - 7.1-12.8 HB3 LYS 82 - HE3 LYS 68 far 0 47 0 - 7.1-12.1 HD3 LYS 33 - HE3 LYS 12 far 0 54 0 - 7.1-13.0 HB ILE 56 - HE2 LYS 68 far 0 53 0 - 7.2-10.7 HB ILE 15 - HE3 LYS 90 far 0 99 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 57 0 - 7.3-13.2 HD3 LYS 13 - HE3 LYS 90 far 0 63 0 - 7.5-15.1 HB2 LYS 66 - HE2 LYS 73 far 0 70 0 - 7.5-11.7 HD2 LYS 13 - HE3 LYS 20 far 0 38 0 - 7.5-13.3 HB3 LEU 70 - HE2 LYS 68 far 0 53 0 - 7.7-12.1 HD3 LYS 66 - HE3 LYS 68 far 0 31 0 - 7.8-12.4 HB2 LYS 66 - HE2 LYS 68 far 0 49 0 - 7.9-11.7 HD2 LYS 13 - HE3 LYS 90 far 0 59 0 - 7.9-14.0 HB ILE 15 - HE3 LYS 20 far 0 73 0 - 7.9-12.2 HB3 GLU 63 - HE2 LYS 68 far 0 33 0 - 8.0-11.9 HB ILE 15 - HE3 LYS 13 far 0 75 0 - 8.0-9.9 HB ILE 15 - HE2 LYS 20 far 0 70 0 - 8.0-11.6 HB2 LYS 66 - HE3 LYS 73 far 0 77 0 - 8.1-11.4 HB ILE 15 - HE2 LYS 13 far 0 70 0 - 8.2-10.7 HB2 LYS 66 - HE3 LYS 68 far 0 45 0 - 8.3-11.9 HD2 LYS 12 - HE3 LYS 20 far 0 38 0 - 8.3-16.6 HB3 LEU 70 - HE3 LYS 68 far 0 48 0 - 8.4-12.4 HB3 GLU 63 - HE3 LYS 68 far 0 30 0 - 8.4-12.6 HD2 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.6-14.5 HG3 ARG 19 - HE2 LYS 13 far 0 61 0 - 9.4-14.3 HD3 LYS 12 - HE2 LYS 20 far 0 36 0 - 9.7-15.9 HD2 LYS 12 - HE2 LYS 20 far 0 36 0 - 9.7-16.6 HD2 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.8-15.4 HD3 LYS 12 - HE3 LYS 20 far 0 38 0 - 9.9-15.8 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 109 assignments used, quality = 1.00: * HD3 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HE3 LYS 13 OK 78 78 100 100 2.2-3.0 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 2.2-3.0 3.0=100 HD2 LYS 13 + HE2 LYS 13 OK 73 73 100 100 2.4-3.0 2.9=100 HD3 LYS 13 + HE2 LYS 13 OK 72 72 100 100 2.3-3.0 2.9=100 HD3 LYS 73 + HE3 LYS 73 OK 70 70 100 100 2.2-3.0 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 2.4-3.0 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 2.4-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 67 67 100 100 2.3-3.0 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 2.2-3.0 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 2.3-3.0 3.0=100 HD3 LYS 20 + HE2 LYS 20 OK 60 60 100 100 2.3-3.0 3.0=100 HD3 LYS 12 + HE3 LYS 12 OK 60 60 100 100 2.2-3.0 3.0=100 HD2 LYS 12 + HE3 LYS 12 OK 60 60 100 100 2.3-3.0 3.0=100 HG3 LYS 20 + HE2 LYS 20 OK 54 60 95 96 2.1-4.2 3.6=60, ~941=8, ~930=8...(81) HG3 LYS 20 + HE3 LYS 20 OK 53 62 90 96 2.2-4.1 3.6=60, ~941=8, ~930=8...(79) HB3 ARG 91 - HE3 LYS 90 far 5 97 5 - 3.7-9.0 HG2 PRO 86 - HE3 LYS 90 far 0 100 0 - 4.0-7.7 HG3 LYS 20 - HE3 LYS 24 far 0 55 0 - 4.3-11.4 HB ILE 15 - HE3 LYS 12 far 0 36 0 - 4.4-7.6 HB3 ARG 91 - HE2 LYS 94 far 0 85 0 - 4.4-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 55 0 - 4.5-11.2 HD3 LYS 24 - HE3 LYS 20 far 0 76 0 - 4.5-11.5 HD3 LYS 20 - HE3 LYS 90 far 0 90 0 - 4.5-12.2 HB3 ARG 91 - HE3 LYS 94 far 0 65 0 - 4.6-8.8 HD3 LYS 13 - HE3 LYS 12 far 0 59 0 - 4.6-11.6 HD3 LYS 24 - HE2 LYS 20 far 0 73 0 - 4.7-11.5 HD3 LYS 90 - HE2 LYS 20 far 0 73 0 - 4.7-13.8 HD3 LYS 20 - HE3 LYS 24 far 0 55 0 - 5.0-11.4 HG3 LYS 20 - HE3 LYS 90 far 0 90 0 - 5.1-12.5 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 5.2-11.2 HG LEU 70 - HE2 LYS 73 far 0 92 0 - 5.3-8.2 HG2 PRO 86 - HE2 LYS 13 far 0 73 0 - 5.3-10.8 HD2 LYS 13 - HE3 LYS 12 far 0 60 0 - 5.4-12.0 HD2 ARG 81 - HE3 LYS 68 far 0 42 0 - 5.5-10.9 HB3 LEU 70 - HE3 LYS 73 far 0 88 0 - 5.6-9.6 HG12 ILE 15 - HE3 LYS 12 far 0 60 0 - 5.6-9.2 HB3 LEU 70 - HE2 LYS 73 far 0 81 0 - 5.7-8.6 HG LEU 70 - HE3 LYS 73 far 0 97 0 - 5.8-9.2 HD3 LYS 66 - HE2 LYS 73 far 0 91 0 - 5.8-13.6 HD2 LYS 24 - HE2 LYS 20 far 0 73 0 - 5.8-11.8 HG2 PRO 86 - HE3 LYS 13 far 0 78 0 - 6.1-10.4 HD3 LYS 90 - HE3 LYS 94 far 0 71 0 - 6.1-11.8 HD2 LYS 20 - HE3 LYS 24 far 0 58 0 - 6.2-12.0 HD2 LYS 20 - HE3 LYS 90 far 0 93 0 - 6.2-12.3 HD2 LYS 24 - HE3 LYS 20 far 0 76 0 - 6.3-11.2 HD3 LYS 20 - HE2 LYS 24 far 0 55 0 - 6.3-12.1 HD3 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.3-12.5 HD2 LYS 12 - HE2 LYS 13 far 0 73 0 - 6.4-11.7 HD2 LYS 20 - HE2 LYS 24 far 0 58 0 - 6.5-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 6.6-11.3 HD3 LYS 12 - HE2 LYS 13 far 0 73 0 - 6.6-11.5 HD3 LYS 20 - HE2 LYS 13 far 0 60 0 - 6.6-14.0 HD2 ARG 81 - HE2 LYS 68 far 0 47 0 - 6.6-11.3 HD2 LYS 33 - HE3 LYS 12 far 0 42 0 - 6.6-12.6 HD3 LYS 90 - HE2 LYS 94 far 0 90 0 - 6.7-11.2 HD2 LYS 20 - HE2 LYS 13 far 0 63 0 - 6.7-13.3 HD3 LYS 13 - HE2 LYS 20 far 0 72 0 - 6.8-14.0 HD2 LYS 24 - HE2 LYS 94 far 0 90 0 - 6.8-12.7 HD3 LYS 66 - HE2 LYS 68 far 0 67 0 - 6.8-12.2 HD3 LYS 13 - HE3 LYS 20 far 0 75 0 - 7.0-14.8 HD2 LYS 13 - HE2 LYS 20 far 0 73 0 - 7.1-12.8 HD2 LYS 24 - HE3 LYS 94 far 0 71 0 - 7.1-13.1 HD3 LYS 33 - HE3 LYS 12 far 0 42 0 - 7.1-13.0 HD3 LYS 24 - HE3 LYS 94 far 0 71 0 - 7.1-13.0 HD3 LYS 24 - HE2 LYS 94 far 0 90 0 - 7.2-12.9 HB ILE 15 - HE3 LYS 90 far 0 71 0 - 7.2-14.1 HD3 LYS 66 - HE3 LYS 73 far 0 97 0 - 7.3-13.2 HD3 LYS 13 - HE3 LYS 90 far 0 100 0 - 7.5-15.1 HD2 LYS 13 - HE3 LYS 20 far 0 75 0 - 7.5-13.3 HD3 LYS 20 - HE3 LYS 13 far 0 64 0 - 7.6-13.3 HB3 LEU 70 - HE2 LYS 68 far 0 58 0 - 7.7-12.1 HD3 LYS 73 - HE2 LYS 68 far 0 44 0 - 7.7-14.2 HD3 LYS 66 - HE3 LYS 68 far 0 62 0 - 7.8-12.4 HD2 LYS 13 - HE3 LYS 90 far 0 100 0 - 7.9-14.0 HB ILE 15 - HE3 LYS 20 far 0 47 0 - 7.9-12.2 HD2 LYS 20 - HE3 LYS 13 far 0 68 0 - 8.0-13.0 HB ILE 15 - HE3 LYS 13 far 0 49 0 - 8.0-9.9 HB ILE 15 - HE2 LYS 20 far 0 45 0 - 8.0-11.6 HG12 ILE 15 - HE3 LYS 90 far 0 100 0 - 8.0-14.9 HD3 LYS 20 - HE3 LYS 12 far 0 48 0 - 8.1-13.8 HB ILE 15 - HE2 LYS 13 far 0 45 0 - 8.2-10.7 HG LEU 70 - HE2 LYS 68 far 0 68 0 - 8.2-12.0 HD2 LYS 20 - HE3 LYS 12 far 0 51 0 - 8.2-15.0 HD2 LYS 12 - HE3 LYS 20 far 0 75 0 - 8.3-16.6 HB3 LEU 70 - HE3 LYS 68 far 0 53 0 - 8.4-12.4 HG2 PRO 86 - HE2 LYS 20 far 0 73 0 - 8.6-14.3 HG3 LYS 20 - HE2 LYS 13 far 0 60 0 - 8.6-15.0 HD2 LYS 73 - HE2 LYS 68 far 0 47 0 - 8.6-14.0 HD3 LYS 24 - HE3 LYS 90 far 0 100 0 - 8.6-13.4 HD3 LYS 90 - HE2 LYS 13 far 0 73 0 - 9.0-17.1 HD3 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.0-13.9 HG2 PRO 86 - HE3 LYS 20 far 0 75 0 - 9.1-14.1 HG LEU 70 - HE3 LYS 68 far 0 63 0 - 9.3-11.5 HD3 LYS 73 - HE3 LYS 68 far 0 40 0 - 9.4-14.9 HG3 LYS 20 - HE3 LYS 94 far 0 57 0 - 9.5-16.2 HD3 LYS 12 - HE2 LYS 20 far 0 73 0 - 9.7-15.9 HG3 LYS 20 - HE2 LYS 94 far 0 76 0 - 9.7-16.3 HD2 LYS 24 - HE3 LYS 90 far 0 100 0 - 9.7-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 73 0 - 9.7-16.6 HG3 LYS 20 - HE3 LYS 12 far 0 48 0 - 9.9-15.3 HD2 LYS 73 - HE3 LYS 68 far 0 42 0 - 9.9-14.4 HD3 LYS 12 - HE3 LYS 20 far 0 75 0 - 9.9-15.8 HG3 LYS 20 - HE3 LYS 13 far 0 64 0 - 10.0-14.9 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 8 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 - HE3 LYS 20 far 0 76 0 - 5.6-12.6 HE2 LYS 90 - HE2 LYS 20 far 0 73 0 - 5.8-13.9 HE2 LYS 90 - HE3 LYS 94 far 0 71 0 - 6.9-12.1 HE2 LYS 90 - HE2 LYS 94 far 0 90 0 - 7.5-12.1 HE2 LYS 90 - HE2 LYS 13 far 0 73 0 - 8.3-16.1 HE2 LYS 90 - HE3 LYS 24 far 0 68 0 - 9.4-14.4 HE2 LYS 90 - HE3 LYS 13 far 0 78 0 - 9.7-16.2 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): 1 out of 7 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 poor 20 99 20 - 2.4-6.4 H LYS 47 - HA GLU 43 far 0 99 0 - 4.7-5.9 HE3 TRP 92 - HA ARG 91 far 0 59 0 - 6.7-8.6 HE ARG 46 - HA LYS 40 far 0 67 0 - 7.3-12.0 HZ2 TRP 92 - HA ARG 91 far 0 91 0 - 9.0-10.4 H LYS 47 - HA LYS 40 far 0 67 0 - 9.6-10.5 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): 4 out of 27 assignments used, quality = 1.00: * HB2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 91 + HA ARG 91 OK 68 70 100 98 2.9-3.8 4.0=48, 1.8/4016=48...(25) HB2 LEU 38 + HA GLU 35 OK 44 74 70 85 2.3-5.3 3.8/12057=29...(19) HG LEU 38 + HA GLU 35 OK 42 81 65 79 2.4-4.4 2.1/10168=26...(19) HD3 LYS 40 - HA LYS 40 far 3 55 5 - 4.0-5.2 HD2 LYS 40 - HA LYS 40 far 3 54 5 - 3.8-5.2 HG3 LYS 66 - HA GLU 35 far 0 99 0 - 4.9-8.0 HG2 LYS 47 - HA GLU 43 far 0 99 0 - 5.0-9.4 HG2 LYS 66 - HA GLU 35 far 0 99 0 - 6.2-9.4 HG LEU 38 - HA LYS 40 far 0 48 0 - 7.0-9.6 HB2 LEU 38 - HA LYS 40 far 0 43 0 - 7.2-8.4 HG LEU 57 - HA ARG 91 far 0 96 0 - 8.5-9.7 HD3 LYS 40 - HA GLU 35 far 0 89 0 - 8.5-11.1 HG2 LYS 73 - HA GLU 43 far 0 99 0 - 8.7-13.1 HD2 LYS 40 - HA GLU 43 far 0 88 0 - 8.8-10.3 HD2 LYS 40 - HA GLU 35 far 0 88 0 - 8.9-11.4 HG3 LYS 33 - HA GLU 35 far 0 93 0 - 9.0-9.3 HG13 ILE 52 - HA GLU 43 far 0 77 0 - 9.0-11.2 HG2 LYS 47 - HA LYS 40 far 0 67 0 - 9.0-13.3 HG3 LYS 24 - HA ARG 91 far 0 90 0 - 9.1-13.3 HG2 LYS 20 - HA ARG 91 far 0 79 0 - 9.3-14.5 HD3 LYS 40 - HA GLU 43 far 0 89 0 - 9.6-10.4 HB2 LEU 38 - HA GLU 43 far 0 73 0 - 9.7-11.4 HG2 LYS 73 - HA GLU 35 far 0 99 0 - 9.7-12.4 HG LEU 6 - HA LYS 40 far 0 33 0 - 9.7-10.6 HG LEU 38 - HA GLU 43 far 0 80 0 - 9.8-11.9 HG LEU 6 - HA GLU 43 far 0 58 0 - 10.0-12.0 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, 2.8/4016=34...(28) HB3 LYS 40 + HA LYS 40 OK 67 67 100 100 2.2-3.0 3.0=97, 1795/2.9=42...(23) HD3 LYS 90 + HA ARG 91 OK 40 97 50 82 2.9-7.4 ~7437=20, 7438/3.0=16...(20) HB2 LYS 40 + HA LYS 40 OK 37 37 100 100 2.4-3.0 3.0=97, 6625/2.9=28...(21) HG LEU 70 - HA GLU 35 far 0 94 0 - 4.3-7.1 HD2 LYS 39 - HA LYS 40 far 0 47 0 - 5.1-7.8 HB3 LEU 70 - HA GLU 35 far 0 70 0 - 5.1-7.3 HD3 LYS 66 - HA GLU 35 far 0 92 0 - 5.4-9.3 HB ILE 76 - HA GLU 43 far 0 60 0 - 5.8-7.6 HD3 LYS 47 - HA GLU 43 far 0 99 0 - 6.0-8.9 HD2 LYS 39 - HA GLU 35 far 0 79 0 - 6.0-9.0 HD2 LYS 47 - HA GLU 43 far 0 99 0 - 6.1-9.3 HB2 LYS 40 - HA GLU 35 far 0 64 0 - 7.1-8.4 HD2 LYS 39 - HA GLU 43 far 0 79 0 - 7.2-9.6 HD3 LYS 73 - HA GLU 35 far 0 94 0 - 7.5-14.4 HB3 LYS 40 - HA GLU 43 far 0 99 0 - 7.7-8.4 HB3 LYS 40 - HA GLU 35 far 0 100 0 - 7.8-9.2 HB3 LEU 6 - HA GLU 35 far 0 68 0 - 8.0-10.5 HB2 LYS 40 - HA GLU 43 far 0 64 0 - 8.1-8.6 HB3 LEU 70 - HA LYS 40 far 0 41 0 - 8.1-10.8 HD2 LYS 73 - HA GLU 35 far 0 95 0 - 8.2-14.8 HB3 LEU 70 - HA GLU 43 far 0 70 0 - 8.2-11.4 HD2 LYS 47 - HA LYS 40 far 0 67 0 - 8.4-12.7 HD2 LYS 73 - HA GLU 43 far 0 95 0 - 8.7-13.9 HD3 LYS 47 - HA LYS 40 far 0 67 0 - 8.8-12.0 HG3 LYS 20 - HA ARG 91 far 0 99 0 - 8.9-14.6 HG LEU 70 - HA LYS 40 far 0 60 0 - 9.0-11.5 HB ILE 52 - HA GLU 43 far 0 97 0 - 9.5-11.5 HD3 LYS 73 - HA GLU 43 far 0 93 0 - 9.5-14.3 HD3 LYS 73 - HA LYS 40 far 0 59 0 - 9.7-16.0 HB3 LEU 6 - HA LYS 40 far 0 39 0 - 9.8-11.9 HG2 PRO 86 - HA ARG 91 far 0 99 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4016 from cnoeabs.peaks (1.08, 3.89, 59.16 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.1-3.9 4.0=93, 7444/3.0=50...(39) HG12 ILE 76 - HA GLU 43 far 0 97 0 - 4.8-6.3 HG12 ILE 52 - HA GLU 43 far 0 64 0 - 9.1-11.4 HB3 ARG 81 - HA ARG 91 far 0 92 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 4017 from cnoeabs.peaks (1.45, 3.89, 59.16 ppm; 3.01 A): 4 out of 25 assignments used, quality = 1.00: * HG3 ARG 91 + HA ARG 91 OK 97 100 100 97 2.9-3.8 1.8/4016=43, 4.0=43...(24) HB2 ARG 91 + HA ARG 91 OK 70 70 100 100 2.3-3.0 3.0=100 HB2 LEU 38 + HA GLU 35 OK 59 99 70 85 2.3-5.3 1626/12057=27...(17) HG LEU 38 + HA GLU 35 OK 31 99 40 78 2.4-4.4 2.1/10168=24...(19) HG3 LYS 39 - HA LYS 40 far 3 64 5 - 3.2-6.7 HD2 LYS 40 - HA LYS 40 far 3 63 5 - 3.8-5.2 HD3 LYS 40 - HA LYS 40 far 0 63 0 - 4.0-5.2 HG13 ILE 76 - HA GLU 43 far 0 94 0 - 4.6-6.3 HG3 LYS 39 - HA GLU 35 far 0 98 0 - 4.7-7.4 HG2 LYS 47 - HA GLU 43 far 0 58 0 - 5.0-9.4 HG2 LYS 66 - HA GLU 35 far 0 58 0 - 6.2-9.4 HG3 LYS 39 - HA GLU 43 far 0 97 0 - 6.5-9.3 HG LEU 38 - HA LYS 40 far 0 66 0 - 7.0-9.6 HB2 LEU 38 - HA LYS 40 far 0 67 0 - 7.2-8.4 QB ALA 22 - HA ARG 91 far 0 95 0 - 8.4-10.3 HD3 LYS 40 - HA GLU 35 far 0 97 0 - 8.5-11.1 HD2 LYS 40 - HA GLU 43 far 0 97 0 - 8.8-10.3 HD2 LYS 40 - HA GLU 35 far 0 97 0 - 8.9-11.4 HG13 ILE 52 - HA GLU 43 far 0 99 0 - 9.0-11.2 HG2 LYS 47 - HA LYS 40 far 0 33 0 - 9.0-13.3 HG2 LYS 20 - HA ARG 91 far 0 100 0 - 9.3-14.5 HD3 LYS 40 - HA GLU 43 far 0 96 0 - 9.6-10.4 HB2 LEU 38 - HA GLU 43 far 0 99 0 - 9.7-11.4 HG LEU 38 - HA GLU 43 far 0 99 0 - 9.8-11.9 HG13 ILE 76 - HA LYS 40 far 0 60 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 4018 from cnoeabs.peaks (2.49, 3.89, 59.16 ppm; 5.12 A): 4 out of 10 assignments used, quality = 1.00: * HD2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.7-4.8 4.8=100 HB2 ASP 36 + HA GLU 35 OK 72 92 80 98 5.5-6.1 6563/3.6=43, ~10536=40...(16) HB3 ASP 36 + HA GLU 35 OK 67 91 75 98 5.6-6.6 6563/3.6=43, ~10536=40...(15) HG3 GLU 95 + HA ARG 91 OK 29 59 75 65 4.1-6.6 4.8/7524=28...(8) HB3 ASP 36 - HA LYS 40 far 0 56 0 - 6.1-8.0 HB3 ASP 87 - HA ARG 91 far 0 99 0 - 6.3-7.7 HB2 ASP 87 - HA ARG 91 far 0 99 0 - 6.4-8.6 HB2 ASP 36 - HA LYS 40 far 0 57 0 - 7.0-8.2 HG3 GLU 63 - HA GLU 35 far 0 77 0 - 7.4-10.1 HG3 GLU 98 - HA ARG 91 far 0 98 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 4019 from cnoeabs.peaks (2.66, 3.89, 59.16 ppm; 5.15 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 91 + HA ARG 91 OK 100 100 100 100 3.3-5.4 4.8=100 HG3 MET 74 + HA GLU 43 OK 22 58 40 94 5.3-7.0 3.4/9610=67, ~12303=46...(9) HB3 TYR 41 - HA LYS 40 poor 13 52 25 - 5.7-6.6 HG3 MET 74 - HA LYS 40 far 0 33 0 - 7.4-9.5 HB3 TYR 41 - HA GLU 43 far 0 85 0 - 7.6-7.9 HB3 TYR 41 - HA GLU 35 far 0 85 0 - 8.1-11.4 HG3 MET 74 - HA GLU 35 far 0 58 0 - 8.7-12.3 HB3 ASP 65 - HA GLU 35 far 0 89 0 - 9.0-12.2 HD2 ARG 30 - HA LYS 40 far 0 64 0 - 9.6-12.3 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 - 8.3-9.3 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 5 assignments used, quality = 1.00: * H LYS 94 + HA ARG 91 OK 98 100 100 98 3.3-4.3 7502=51, 7473/3.6=51...(19) H PHE 45 + HA GLU 43 OK 97 99 100 98 3.7-4.6 6722/6705=66...(9) H PHE 45 - HA LYS 40 far 0 67 0 - 7.0-7.6 H ALA 71 - HA GLU 35 far 0 99 0 - 7.5-9.6 H ALA 71 - HA GLU 43 far 0 99 0 - 9.7-11.2 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 21 assignments used, quality = 0.98: HB2 GLU 43 + HA GLU 43 OK 94 94 100 100 2.4-2.6 3.0=100 * HB2 LYS 94 + HA ARG 91 OK 44 100 60 73 2.7-5.3 1.8/4196=25, 4184=23...(11) HB3 ARG 46 + HA GLU 43 OK 37 62 70 85 2.3-4.7 3.6/10171=27...(9) HB2 GLU 43 - HA LYS 40 far 0 60 0 - 4.4-5.4 HB VAL 32 - HA GLU 35 far 0 93 0 - 6.2-7.0 HG LEU 42 - HA LYS 40 far 0 50 0 - 6.3-6.9 HB3 LYS 47 - HA GLU 43 far 0 99 0 - 6.3-7.9 HG LEU 42 - HA GLU 43 far 0 82 0 - 6.5-6.6 HB ILE 8 - HA GLU 35 far 0 81 0 - 7.0-8.7 HB2 GLU 17 - HA ARG 91 far 0 93 0 - 7.2-10.8 HG3 GLU 88 - HA ARG 91 far 0 91 0 - 7.3-9.1 HG LEU 42 - HA GLU 35 far 0 82 0 - 7.5-8.9 HB2 LYS 33 - HA GLU 35 far 0 99 0 - 7.5-8.9 HB3 LYS 33 - HA GLU 35 far 0 99 0 - 7.7-8.9 HB3 ARG 46 - HA LYS 40 far 0 35 0 - 8.3-10.6 HB VAL 54 - HA GLU 43 far 0 62 0 - 8.7-11.0 HB3 LYS 20 - HA ARG 91 far 0 98 0 - 8.9-13.7 HB2 LYS 73 - HA GLU 35 far 0 66 0 - 9.0-12.4 HB3 LYS 73 - HA GLU 43 far 0 68 0 - 9.3-11.9 HB2 LYS 20 - HA ARG 91 far 0 71 0 - 9.4-12.8 HB2 LYS 73 - HA GLU 43 far 0 66 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 4023 from cnoeabs.peaks (2.02, 3.89, 59.16 ppm; 2.97 A): 3 out of 18 assignments used, quality = 1.00: HB2 GLU 35 + HA GLU 35 OK 95 95 100 100 2.6-3.0 3.0=96, 6550/3.0=37...(25) QE MET 74 + HA GLU 43 OK 79 89 100 89 2.6-3.6 9610=46, 12303/2.9=37...(12) * HB3 LYS 94 + HA ARG 91 OK 60 100 90 67 2.5-4.7 4196=22, 7514/7502=18...(12) QE MET 74 - HA LYS 40 far 0 55 0 - 4.2-5.3 HB2 MET 21 - HA ARG 91 far 0 81 0 - 5.3-8.5 HB2 GLU 44 - HA GLU 43 far 0 88 0 - 5.5-6.0 HB2 GLU 44 - HA LYS 40 far 0 54 0 - 5.6-7.0 HB3 GLU 44 - HA GLU 43 far 0 88 0 - 6.1-6.6 HB3 GLU 44 - HA LYS 40 far 0 54 0 - 6.2-8.2 HG12 ILE 93 - HA ARG 91 far 0 96 0 - 6.2-8.4 QE MET 74 - HA GLU 35 far 0 89 0 - 7.2-9.0 HB3 GLU 17 - HA ARG 91 far 0 96 0 - 7.9-11.1 HB2 GLU 62 - HA GLU 35 far 0 99 0 - 7.9-11.6 HB2 GLU 98 - HA ARG 91 far 0 90 0 - 7.9-11.0 HB2 GLU 35 - HA LYS 40 far 0 61 0 - 9.0-11.3 HB3 GLU 48 - HA GLU 43 far 0 84 0 - 9.1-10.5 HB3 GLU 98 - HA ARG 91 far 0 91 0 - 9.4-11.2 HB2 GLU 99 - HA ARG 91 far 0 91 0 - 9.7-14.1 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 4 assignments used, quality = 0.99: * HA GLU 88 + HB2 ARG 91 OK 99 100 100 99 2.5-4.7 3871/1.8=64, 3870=51...(20) HA LYS 90 - HB2 ARG 91 far 0 99 0 - 5.7-6.6 HB THR 80 - HD2 LYS 82 far 0 28 0 - 8.9-11.0 HA LEU 14 - HB2 ARG 91 far 0 88 0 - 10.0-12.8 Violated in 3 structures by 0.07 A. Peak 4025 from cnoeabs.peaks (7.47, 1.49, 29.27 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.2-3.6 3.9=85, 7443/1.8=61...(19) H ILE 52 - HD2 LYS 53 far 0 44 0 - 5.3-7.0 HE3 TRP 92 - HB2 ARG 91 far 0 59 0 - 6.0-8.3 HZ2 TRP 92 - HB2 ARG 91 far 0 91 0 - 6.5-9.9 HZ2 TRP 92 - HD2 LYS 82 far 0 27 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 4026 from cnoeabs.peaks (3.89, 1.49, 29.27 ppm; 3.81 A): 3 out of 19 assignments used, quality = 1.00: * HA ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 40 + HD3 LYS 40 OK 27 34 80 99 4.0-5.2 5.2=39, 1773/3.0=37...(23) HA LYS 40 + HD2 LYS 40 OK 24 32 75 99 3.8-5.2 5.2=39, 1773/3.0=37...(24) HA3 GLY 101 - HD2 LYS 53 poor 20 58 55 62 2.5-7.5 12004/3.0=12...(15) HA2 GLY 101 - HD2 LYS 53 poor 19 47 65 61 2.7-7.7 ~10101=11, ~12004=11...(17) HA2 GLY 100 - HD2 LYS 53 poor 16 47 35 - 3.5-8.5 HB2 SER 102 - HD2 LYS 53 far 6 57 10 - 4.0-10.5 HA TYR 41 - HD3 LYS 40 far 0 20 0 - 5.0-7.0 HA ALA 89 - HB2 ARG 91 far 0 98 0 - 5.5-7.3 HA LEU 38 - HD3 LYS 40 far 0 40 0 - 6.7-8.7 HA LYS 94 - HB2 ARG 91 far 0 90 0 - 7.0-8.6 HA LEU 38 - HD2 LYS 40 far 0 38 0 - 7.1-9.2 HB2 SER 85 - HB2 ARG 91 far 0 96 0 - 7.2-10.4 HA GLU 63 - HD2 LYS 82 far 0 24 0 - 7.4-8.6 HA GLU 35 - HD3 LYS 40 far 0 44 0 - 8.5-11.1 HA GLU 43 - HD2 LYS 40 far 0 41 0 - 8.8-10.3 HA GLU 35 - HD2 LYS 40 far 0 42 0 - 8.9-11.4 HA GLU 43 - HD3 LYS 40 far 0 43 0 - 9.6-10.4 HB2 SER 85 - HD2 LYS 82 far 0 30 0 - 9.7-12.0 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 18 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 54 58 95 98 2.5-4.0 2451/1.8=58, 3.6=50...(43) HB3 LYS 40 + HD3 LYS 40 OK 39 44 100 90 2.1-3.7 3.5=57, 2.9/1824=20...(18) HB3 LYS 40 + HD2 LYS 40 OK 34 42 90 89 2.2-4.0 3.5=57, 2.9/1824=20...(18) HB2 LYS 40 + HD3 LYS 40 OK 20 23 100 90 2.1-3.7 3.5=57, 2.9/1824=20...(19) HB2 LYS 40 - HD2 LYS 40 poor 18 22 95 88 2.5-3.9 3.5=57, 2.9/1824=20...(18) HD3 LYS 90 - HB2 ARG 91 poor 18 97 40 46 2.1-8.5 7438/4025=11, 4015/3.0=7...(12) HB3 ARG 79 - HD2 LYS 53 far 0 40 0 - 5.3-10.5 HB ILE 52 - HD2 LYS 53 far 0 55 0 - 7.2-8.3 HB2 LEU 2 - HD2 LYS 53 far 0 49 0 - 8.3-11.2 HD2 LYS 39 - HD3 LYS 40 far 0 29 0 - 8.4-12.1 HD3 LYS 68 - HD2 LYS 82 far 0 21 0 - 8.6-12.3 HG2 PRO 86 - HB2 ARG 91 far 0 99 0 - 8.6-12.7 HD2 LYS 39 - HD2 LYS 40 far 0 28 0 - 8.7-11.9 HB3 LEU 6 - HD3 LYS 40 far 0 24 0 - 8.9-12.7 HB ILE 76 - HD2 LYS 53 far 0 29 0 - 9.1-12.6 HB3 LEU 6 - HD2 LYS 40 far 0 23 0 - 9.5-14.2 HD2 LYS 68 - HD2 LYS 82 far 0 21 0 - 9.7-13.2 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 5 assignments used, quality = 1.00: * HG2 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.3-2.9 2.8=100 HG2 LYS 82 + HD2 LYS 82 OK 30 30 100 100 2.3-2.5 2.9=100 HG12 ILE 52 - HD2 LYS 53 far 0 31 0 - 6.6-8.7 HB3 ARG 81 - HD2 LYS 82 far 0 28 0 - 8.5-10.0 HB3 ARG 81 - HB2 ARG 91 far 0 92 0 - 8.6-11.8 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): 2 out of 12 assignments used, quality = 1.00: * HD2 ARG 91 + HB2 ARG 91 OK 100 100 100 100 1.9-3.3 3.5=100 HB3 ASP 87 + HB2 ARG 91 OK 46 99 60 77 4.4-7.3 8797/3.9=19...(13) HG3 GLU 95 - HB2 ARG 91 poor 15 59 25 - 4.7-7.5 HB2 ASP 87 - HB2 ARG 91 far 15 99 15 - 4.4-8.0 HB2 ASP 61 - HD2 LYS 82 poor 10 26 40 - 4.9-6.5 HB3 ASP 36 - HD2 LYS 40 far 5 34 15 - 5.0-8.3 HB2 ASP 36 - HD3 LYS 40 far 4 36 10 - 5.4-8.1 HB3 ASP 36 - HD3 LYS 40 far 4 36 10 - 4.5-8.7 HB2 ASP 36 - HD2 LYS 40 far 2 35 5 - 5.7-9.1 HG3 GLU 63 - HD2 LYS 82 far 0 22 0 - 5.8-7.5 HB3 TYR 4 - HD2 LYS 53 far 0 40 0 - 8.2-11.8 HG3 GLU 98 - HB2 ARG 91 far 0 98 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4032 from cnoeabs.peaks (2.66, 1.49, 29.27 ppm; 4.63 A): 1 out of 8 assignments used, quality = 1.00: * HD3 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.1-3.9 3.5=100 HB3 ASP 77 - HD2 LYS 53 poor 8 41 20 - 4.4-8.3 HD2 ARG 30 - HD3 LYS 40 far 2 41 5 - 5.5-11.5 HD2 ARG 30 - HD2 LYS 40 far 0 40 0 - 6.0-11.3 HB3 TYR 41 - HD3 LYS 40 far 0 33 0 - 6.3-8.5 HB3 TYR 41 - HD2 LYS 40 far 0 32 0 - 6.4-9.2 HB3 ASN 51 - HD2 LYS 53 far 0 54 0 - 6.4-8.9 HB3 ASP 65 - HD2 LYS 82 far 0 27 0 - 8.7-10.5 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 3 assignments used, quality = 1.00: * H TRP 92 + HB2 ARG 91 OK 100 100 100 100 2.9-4.2 4.3=86, 7458/1.8=68...(11) H GLY 100 - HD2 LYS 53 far 3 58 5 - 4.5-8.1 H ASP 87 - HB2 ARG 91 far 0 100 0 - 6.5-9.2 Violated in 6 structures by 0.03 A. Peak 4034 from cnoeabs.peaks (3.66, 1.68, 29.27 ppm; 4.10 A): 3 out of 18 assignments used, quality = 1.00: * HA GLU 88 + HB3 ARG 91 OK 100 100 100 100 2.3-4.8 4024/1.8=74, 3871=72...(17) HA LYS 90 + HD3 LYS 90 OK 83 83 100 100 2.5-4.7 3918=82, 3917/1.8=76...(47) HA GLU 88 + HD3 LYS 90 OK 34 86 50 78 4.5-8.3 3869/7438=20...(20) HA LEU 14 - HD2 LYS 13 far 2 42 5 - 4.1-7.1 HA LEU 14 - HD3 LYS 90 far 0 70 0 - 5.0-9.8 HA LYS 90 - HB3 ARG 91 far 0 99 0 - 5.6-6.6 HA LEU 14 - HD3 LYS 13 far 0 39 0 - 5.6-7.9 HA LEU 14 - HG12 ILE 15 far 0 75 0 - 6.9-7.4 HA LEU 14 - HD3 LYS 20 far 0 83 0 - 7.0-11.4 HA LYS 90 - HD2 LYS 20 far 0 97 0 - 7.1-10.7 HA LYS 90 - HD3 LYS 20 far 0 95 0 - 7.2-10.9 HA LEU 14 - HD2 LYS 20 far 0 85 0 - 7.2-10.3 HA LEU 14 - HD2 LYS 12 far 0 61 0 - 8.4-11.0 HA LEU 14 - HD3 LYS 12 far 0 61 0 - 8.5-11.0 HA LYS 90 - HD3 LYS 24 far 0 51 0 - 8.8-11.9 HA LYS 90 - HD2 LYS 24 far 0 52 0 - 9.7-11.4 HA LYS 90 - HG12 ILE 15 far 0 88 0 - 9.9-12.9 HA LEU 14 - HB3 ARG 91 far 0 88 0 - 10.0-12.6 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 27 assignments used, quality = 1.00: * H ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.2-3.6 7443=69, 4025/1.8=64...(20) H LYS 47 + HD2 LYS 47 OK 65 100 65 99 3.4-4.7 6773/3.0=54, 6772/3.0=47...(33) H LYS 47 + HD3 LYS 47 OK 60 100 60 100 3.2-4.9 6773/3.0=54, 6772/3.0=47...(40) H ARG 91 + HD3 LYS 90 OK 59 86 70 98 2.1-5.8 7437/1.8=60, 7435/2.9=39...(23) HE ARG 19 - HD3 LYS 20 far 4 89 5 - 3.0-10.7 HE ARG 19 - HD2 LYS 20 far 0 91 0 - 4.4-9.7 HE ARG 19 - HG12 ILE 15 far 0 81 0 - 4.8-9.3 HE ARG 19 - HD3 LYS 12 far 0 67 0 - 5.4-12.4 HE3 TRP 92 - HB3 ARG 91 far 0 59 0 - 6.0-8.0 HE ARG 19 - HD2 LYS 12 far 0 67 0 - 6.1-11.8 HE ARG 46 - HD2 LYS 47 far 0 100 0 - 6.2-10.6 HZ2 TRP 92 - HB3 ARG 91 far 0 91 0 - 6.6-9.0 HE ARG 46 - HD3 LYS 47 far 0 100 0 - 6.6-10.8 HD22 ASN 26 - HD2 LYS 24 far 0 55 0 - 6.8-10.0 HD22 ASN 26 - HD3 LYS 24 far 0 53 0 - 7.4-11.0 HE22 GLN 72 - HD2 LYS 73 far 0 35 0 - 7.6-10.6 HE22 GLN 72 - HD3 LYS 73 far 0 33 0 - 8.1-10.6 HE ARG 46 - HD2 LYS 39 far 0 61 0 - 8.3-13.8 HE ARG 19 - HD2 LYS 13 far 0 46 0 - 8.7-15.1 HE ARG 46 - HD2 LYS 73 far 0 52 0 - 8.9-13.5 HE3 TRP 92 - HD3 LYS 90 far 0 45 0 - 9.0-11.9 HE ARG 19 - HD3 LYS 24 far 0 46 0 - 9.3-15.3 H ARG 91 - HD2 LYS 20 far 0 99 0 - 9.3-13.4 HE ARG 46 - HD3 LYS 73 far 0 50 0 - 9.4-14.4 HZ2 TRP 92 - HD3 LYS 90 far 0 72 0 - 9.6-14.0 H ARG 91 - HD3 LYS 20 far 0 97 0 - 9.6-13.8 HE ARG 19 - HD2 LYS 24 far 0 47 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (3.89, 1.68, 29.27 ppm; 3.51 A): 4 out of 45 assignments used, quality = 1.00: * HA ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 91 + HD3 LYS 90 OK 40 86 50 93 2.9-7.4 ~7437=30, ~3978=23...(23) HA LYS 12 + HD2 LYS 12 OK 33 47 70 99 2.3-4.8 384/3.0=36, 5.2=32...(43) HA LYS 12 + HD3 LYS 12 OK 33 47 70 99 2.4-4.7 384/3.0=36, 5.2=32...(43) HA LYS 12 - HG12 ILE 15 poor 18 59 30 - 3.6-4.9 HB3 SER 9 - HG12 ILE 15 poor 13 50 25 - 3.9-6.2 HA LYS 12 - HD2 LYS 13 far 0 32 0 - 5.0-8.1 HA LYS 40 - HD2 LYS 39 far 0 48 0 - 5.1-7.8 HA ALA 89 - HB3 ARG 91 far 0 98 0 - 5.2-6.9 HA LYS 12 - HD3 LYS 13 far 0 30 0 - 5.2-8.3 HA ALA 89 - HD3 LYS 90 far 0 81 0 - 5.8-7.7 HA GLU 43 - HD3 LYS 47 far 0 100 0 - 6.0-8.9 HA GLU 35 - HD2 LYS 39 far 0 61 0 - 6.0-9.0 HA GLU 43 - HD2 LYS 47 far 0 100 0 - 6.1-9.3 HB3 SER 9 - HD2 LYS 12 far 0 40 0 - 6.3-11.4 HB3 SER 49 - HD2 LYS 47 far 0 75 0 - 6.6-10.2 HB2 SER 85 - HD3 LYS 90 far 0 79 0 - 6.8-10.7 HA LYS 94 - HB3 ARG 91 far 0 90 0 - 7.2-8.5 HA GLU 43 - HD2 LYS 39 far 0 60 0 - 7.2-9.6 HB2 SER 85 - HB3 ARG 91 far 0 96 0 - 7.2-10.1 HA TYR 41 - HD2 LYS 47 far 0 59 0 - 7.3-11.8 HA TYR 41 - HD3 LYS 47 far 0 59 0 - 7.3-11.3 HB3 SER 9 - HD3 LYS 12 far 0 40 0 - 7.3-11.5 HA ALA 67 - HD2 LYS 73 far 0 30 0 - 7.3-11.0 HA ALA 67 - HD3 LYS 73 far 0 28 0 - 7.4-11.0 HA GLU 35 - HD3 LYS 73 far 0 50 0 - 7.5-14.4 HA ALA 67 - HD2 LYS 39 far 0 35 0 - 7.5-9.7 HA LYS 94 - HD3 LYS 90 far 0 71 0 - 7.6-11.2 HA LYS 94 - HD3 LYS 24 far 0 43 0 - 7.6-10.3 HA LEU 38 - HD2 LYS 39 far 0 56 0 - 7.8-8.8 HB3 SER 49 - HD3 LYS 47 far 0 75 0 - 7.9-9.5 HA GLU 35 - HD2 LYS 73 far 0 52 0 - 8.2-14.8 HA LYS 94 - HD2 LYS 24 far 0 44 0 - 8.2-9.9 HA LYS 40 - HD2 LYS 47 far 0 88 0 - 8.4-12.7 HA GLU 43 - HD2 LYS 73 far 0 52 0 - 8.7-13.9 HA LYS 12 - HD2 LYS 20 far 0 68 0 - 8.7-11.9 HA LYS 12 - HD3 LYS 20 far 0 66 0 - 8.8-11.7 HA LYS 40 - HD3 LYS 47 far 0 88 0 - 8.8-12.0 HA LEU 38 - HD3 LYS 73 far 0 45 0 - 9.2-15.7 HA TYR 41 - HD2 LYS 39 far 0 29 0 - 9.2-11.1 HA GLU 43 - HD3 LYS 73 far 0 49 0 - 9.5-14.3 HB3 SER 9 - HD2 LYS 13 far 0 27 0 - 9.6-12.1 HB3 SER 9 - HD3 LYS 13 far 0 25 0 - 9.6-12.5 HA ALA 89 - HG12 ILE 15 far 0 86 0 - 9.7-11.7 HA LYS 40 - HD3 LYS 73 far 0 38 0 - 9.7-16.0 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 72 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 93 2.2-3.0 3.0=55, 1.8/2175=12...(59) HG2 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 20 + HD2 LYS 20 OK 65 76 100 86 2.2-2.9 2.8=62, 887/1.8=6...(43) HG2 LYS 20 + HD3 LYS 20 OK 64 73 100 87 2.3-3.0 2.8=62, 6309/6311=6...(44) HG3 ARG 91 + HB3 ARG 91 OK 55 70 100 80 2.2-2.9 2.8=62, ~4016=12...(10) HG2 LYS 73 + HD2 LYS 73 OK 47 51 100 91 2.2-3.0 3.0=56, 1.8/3278=9...(54) HG3 LYS 13 + HD2 LYS 13 OK 45 51 100 88 2.4-3.0 3.0=56, 486/487=9...(31) HG2 LYS 73 + HD3 LYS 73 OK 44 49 100 91 2.4-3.0 3.0=56, 1.8/3278=9...(53) HG3 LYS 13 + HD3 LYS 13 OK 42 48 100 88 2.2-3.0 3.0=56, 486/487=9...(31) HG3 LYS 24 + HD2 LYS 24 OK 39 44 100 89 2.4-3.0 3.0=56, 1096/4.9=10...(37) HG3 LYS 24 + HD3 LYS 24 OK 38 43 100 90 2.2-3.0 3.0=56, 1096/4.9=10...(40) HG3 ARG 91 - HD3 LYS 90 poor 13 53 25 - 2.1-10.3 HB2 ARG 91 - HD3 LYS 90 poor 8 86 30 30 2.1-8.5 4025/7438=7, 3.0/4015=5...(9) HG2 LYS 73 - HD2 LYS 39 far 0 60 0 - 3.6-9.8 HB ILE 7 - HG12 ILE 15 far 0 54 0 - 4.4-6.2 HB2 LEU 14 - HG12 ILE 15 far 0 54 0 - 5.1-7.4 HG2 LYS 20 - HD3 LYS 24 far 0 36 0 - 5.3-9.6 HG LEU 38 - HD2 LYS 39 far 0 43 0 - 5.4-9.3 HB2 LEU 14 - HD2 LYS 13 far 0 29 0 - 5.6-8.6 HG3 LYS 13 - HD3 LYS 12 far 0 73 0 - 5.7-8.9 HG LEU 2 - HD2 LYS 47 far 0 79 0 - 5.7-12.1 HG2 LYS 20 - HD2 LYS 24 far 0 37 0 - 5.8-10.1 HG3 LYS 33 - HG12 ILE 15 far 0 81 0 - 5.9-7.7 HB2 LEU 38 - HD2 LYS 39 far 0 39 0 - 6.0-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 73 0 - 6.1-9.0 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.1-12.4 HG LEU 2 - HD3 LYS 47 far 0 79 0 - 6.2-12.9 HB2 LEU 14 - HD3 LYS 13 far 0 27 0 - 6.2-8.2 HG3 LYS 24 - HD3 LYS 20 far 0 84 0 - 6.4-10.2 HG13 ILE 52 - HD2 LYS 47 far 0 79 0 - 6.8-11.5 HG3 LYS 24 - HD2 LYS 20 far 0 86 0 - 6.8-9.4 HB2 LEU 14 - HD3 LYS 90 far 0 50 0 - 7.1-11.3 HG3 LYS 33 - HD2 LYS 12 far 0 67 0 - 7.3-10.9 HG2 LYS 66 - HD2 LYS 73 far 0 52 0 - 7.4-12.7 HG LEU 57 - HD3 LYS 90 far 0 79 0 - 7.4-10.4 HG13 ILE 52 - HD3 LYS 47 far 0 79 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 49 0 - 7.6-12.9 HB2 LEU 14 - HD2 LYS 12 far 0 43 0 - 7.7-11.1 HB2 LEU 38 - HD3 LYS 73 far 0 31 0 - 7.7-14.9 HG LEU 57 - HB3 ARG 91 far 0 96 0 - 7.7-9.7 HG LEU 38 - HD3 LYS 73 far 0 35 0 - 7.8-15.0 HG3 LYS 24 - HD3 LYS 90 far 0 71 0 - 7.9-12.9 HG3 LYS 33 - HD3 LYS 12 far 0 67 0 - 7.9-12.0 HG3 LYS 66 - HD3 LYS 73 far 0 48 0 - 7.9-13.0 HG LEU 57 - HG12 ILE 15 far 0 84 0 - 8.0-10.7 HG LEU 38 - HD2 LYS 73 far 0 37 0 - 8.0-15.4 HG3 LYS 66 - HD2 LYS 39 far 0 60 0 - 8.0-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 95 0 - 8.0-12.9 HB2 LEU 14 - HD3 LYS 12 far 0 43 0 - 8.2-10.7 HG3 LYS 13 - HD2 LYS 20 far 0 96 0 - 8.2-12.0 HG3 LYS 66 - HD2 LYS 73 far 0 51 0 - 8.3-12.9 HG2 LYS 66 - HD2 LYS 39 far 0 60 0 - 8.3-12.5 HD3 LYS 40 - HD2 LYS 39 far 0 50 0 - 8.4-12.1 HB ILE 7 - HD3 LYS 90 far 0 50 0 - 8.5-12.3 HB2 LEU 27 - HD2 LYS 24 far 0 37 0 - 8.6-11.0 HD2 LYS 40 - HD2 LYS 39 far 0 49 0 - 8.7-11.9 HG2 LYS 20 - HD3 LYS 13 far 0 34 0 - 8.7-13.0 HB2 LEU 38 - HD2 LYS 73 far 0 33 0 - 8.8-14.7 HG3 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.8-10.4 HG2 LYS 20 - HD3 LYS 12 far 0 53 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 36 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 36 0 - 9.1-10.4 HB2 LEU 14 - HD3 LYS 20 far 0 61 0 - 9.4-13.1 HG2 LYS 20 - HD2 LYS 12 far 0 53 0 - 9.5-14.5 HG LEU 6 - HG12 ILE 15 far 0 48 0 - 9.6-11.7 HB2 LEU 14 - HD2 LYS 20 far 0 62 0 - 9.6-12.6 HB ILE 7 - HD3 LYS 12 far 0 43 0 - 9.7-13.5 HG3 LYS 13 - HD3 LYS 90 far 0 82 0 - 9.7-15.3 HB2 LEU 27 - HD3 LYS 90 far 0 61 0 - 9.7-13.7 HG2 LYS 20 - HG12 ILE 15 far 0 66 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 62 0 - 9.9-13.2 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 9 assignments used, quality = 1.00: * HG2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.3-3.0 2.8=100 HG2 ARG 91 + HD3 LYS 90 OK 29 86 45 74 2.0-9.5 7444/7438=18, 4047=16...(14) HG12 ILE 52 - HD2 LYS 47 far 0 65 0 - 6.8-11.3 HG12 ILE 76 - HD2 LYS 39 far 0 58 0 - 7.3-11.3 HG12 ILE 52 - HD3 LYS 47 far 0 65 0 - 7.5-11.9 HG12 ILE 76 - HD3 LYS 73 far 0 47 0 - 8.1-12.1 HB3 ARG 81 - HB3 ARG 91 far 0 92 0 - 8.2-10.8 HG12 ILE 76 - HD2 LYS 73 far 0 49 0 - 8.3-11.4 HG12 ILE 76 - HD2 LYS 47 far 0 98 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 4040 from cnoeabs.peaks (1.45, 1.68, 29.27 ppm; 2.44 A): 11 out of 69 assignments used, quality = 1.00: HG2 LYS 20 + HD2 LYS 20 OK 87 98 100 89 2.2-2.9 2.8=63, 848/5.3=8...(46) HG2 LYS 20 + HD3 LYS 20 OK 86 97 100 89 2.3-3.0 2.8=63, 848/5.3=8...(45) * HG3 ARG 91 + HB3 ARG 91 OK 81 100 100 81 2.2-2.9 2.8=63, ~4016=12...(9) HG2 LYS 12 + HD3 LYS 12 OK 71 75 100 95 2.3-3.0 3.0=55, 463/3.0=23...(56) HG2 LYS 12 + HD2 LYS 12 OK 71 75 100 95 2.4-3.0 3.0=55, 463/3.0=23...(55) 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 96 2.3-3.0 3.0=56, 1720/1.8=28...(49) HG2 LYS 47 + HD3 LYS 47 OK 54 59 100 91 2.2-3.0 3.0=56, 1.8/2175=12...(57) HG2 LYS 47 + HD2 LYS 47 OK 54 59 100 91 2.4-3.0 3.0=56, 1.8/2175=12...(54) HG2 LYS 13 + HD2 LYS 13 OK 39 43 100 91 2.3-3.0 3.0=57, 524/1.8=8...(51) HG2 LYS 13 + HD3 LYS 13 OK 37 40 100 91 2.5-3.0 3.0=57, 524/1.8=8...(51) HB2 ARG 91 - HD3 LYS 90 poor 16 53 30 - 2.1-8.5 HG3 ARG 91 - HD3 LYS 90 poor 6 86 25 29 2.1-10.3 1.8/4039=5, 4.8/7438=5...(9) HG3 LYS 39 - HD3 LYS 73 far 0 47 0 - 3.5-12.1 HG2 LYS 12 - HG12 ILE 15 far 0 89 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 67 0 - 4.8-6.8 HG3 LYS 39 - HD2 LYS 73 far 0 49 0 - 5.2-10.9 HG2 LYS 20 - HD3 LYS 24 far 0 53 0 - 5.3-9.6 HG LEU 38 - HD2 LYS 39 far 0 60 0 - 5.4-9.3 HG2 LYS 12 - HD3 LYS 13 far 0 50 0 - 5.7-9.5 HG2 LYS 20 - HD2 LYS 24 far 0 54 0 - 5.8-10.1 HG2 LYS 12 - HD2 LYS 13 far 0 53 0 - 5.9-9.4 QB ALA 22 - HD3 LYS 20 far 0 90 0 - 6.0-8.8 HB2 LEU 38 - HD2 LYS 39 far 0 61 0 - 6.0-8.4 HG2 LYS 13 - HD3 LYS 12 far 0 63 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 85 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 92 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 77 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 82 0 - 6.3-8.2 QB ALA 22 - HD2 LYS 24 far 0 48 0 - 6.4-8.9 QB ALA 22 - HD3 LYS 24 far 0 47 0 - 6.5-8.7 HG13 ILE 76 - HD2 LYS 73 far 0 46 0 - 6.6-11.9 HG2 LYS 13 - HD2 LYS 12 far 0 63 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 100 0 - 6.8-11.5 HG13 ILE 76 - HD3 LYS 73 far 0 44 0 - 7.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 25 0 - 7.4-12.7 HG13 ILE 52 - HD3 LYS 47 far 0 100 0 - 7.5-12.1 HG2 LYS 66 - HD3 LYS 73 far 0 23 0 - 7.6-12.9 HB2 LEU 38 - HD3 LYS 73 far 0 49 0 - 7.7-14.9 HG LEU 38 - HD3 LYS 73 far 0 48 0 - 7.8-15.0 HG LEU 38 - HD2 LYS 73 far 0 51 0 - 8.0-15.4 HG13 ILE 76 - HD2 LYS 39 far 0 54 0 - 8.0-12.3 HG2 LYS 66 - HD2 LYS 39 far 0 29 0 - 8.3-12.5 HD3 LYS 40 - HD2 LYS 39 far 0 56 0 - 8.4-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 54 0 - 8.6-11.0 HD2 LYS 40 - HD2 LYS 39 far 0 57 0 - 8.7-11.9 HG2 LYS 20 - HD3 LYS 13 far 0 50 0 - 8.7-13.0 QB ALA 22 - HG12 ILE 15 far 0 82 0 - 8.8-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 52 0 - 8.8-14.7 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 92 0 - 8.9-12.4 HG12 ILE 7 - HD3 LYS 90 far 0 63 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 86 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 84 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 96 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 76 0 - 9.1-14.0 HG2 LYS 20 - HD2 LYS 13 far 0 53 0 - 9.1-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 53 0 - 9.1-10.4 HG LEU 29 - HD3 LYS 20 far 0 90 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 95 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 77 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 76 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 76 0 - 9.5-14.5 HB2 LEU 27 - HD3 LYS 90 far 0 85 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 96 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 90 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 55 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 71 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 95 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 4041 from cnoeabs.peaks (2.49, 1.68, 29.27 ppm; 4.62 A): 5 out of 21 assignments used, quality = 1.00: * HD2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.0-3.9 3.5=100 HB3 ASP 87 + HD3 LYS 90 OK 69 82 85 99 3.9-8.0 ~10316=43, ~9910=35...(18) HB2 ASP 87 + HD3 LYS 90 OK 49 82 60 99 4.1-8.3 ~10316=43, ~9910=35...(16) HB3 ASP 87 + HB3 ARG 91 OK 36 99 50 73 4.4-6.6 4031/1.8=23, 8797/3.9=18...(11) HD2 ARG 91 + HD3 LYS 90 OK 34 86 50 79 3.8-9.9 4065=25, 4062/7438=20...(12) HB2 ASP 87 - HB3 ARG 91 far 15 99 15 - 4.2-8.0 HG3 GLU 23 - HD2 LYS 20 far 15 98 15 - 4.6-9.2 HG3 GLU 23 - HD3 LYS 20 far 10 97 10 - 3.8-10.0 HG3 GLU 95 - HB3 ARG 91 far 9 59 15 - 4.4-8.2 HG3 GLU 23 - HD2 LYS 24 far 5 54 10 - 4.9-9.6 HG3 GLU 23 - HD3 LYS 24 far 5 53 10 - 4.3-9.6 HB2 ASP 36 - HD2 LYS 39 far 3 52 5 - 5.4-9.9 HB3 ASP 36 - HD2 LYS 39 far 3 51 5 - 5.5-9.6 HG3 GLU 95 - HD3 LYS 90 far 0 45 0 - 7.5-12.8 HG3 GLU 98 - HB3 ARG 91 far 0 98 0 - 8.4-12.7 HB3 TYR 4 - HD2 LYS 47 far 0 80 0 - 8.6-14.8 HB3 TYR 4 - HD3 LYS 47 far 0 81 0 - 8.7-15.0 HG3 GLU 98 - HD3 LYS 24 far 0 49 0 - 9.3-14.6 HB2 ASP 36 - HD3 LYS 73 far 0 42 0 - 9.8-16.8 HG3 GLU 63 - HG12 ILE 15 far 0 66 0 - 9.8-13.3 HB2 ASP 87 - HD2 LYS 13 far 0 51 0 - 9.9-14.4 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 13 assignments used, quality = 1.00: * HD3 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.6-3.9 3.5=100 HD3 ARG 91 + HD3 LYS 90 OK 34 86 50 80 3.6-10.4 1.8/4065=23, 4074=21...(12) HG3 MET 74 - HD2 LYS 39 poor 18 29 60 - 3.1-7.1 HG3 MET 74 - HD3 LYS 73 poor 6 23 25 - 4.2-9.0 HG3 MET 74 - HD2 LYS 73 far 2 25 10 - 2.7-8.6 HD2 ARG 30 - HG12 ILE 15 far 0 87 0 - 8.5-11.4 HB3 TYR 41 - HD2 LYS 47 far 0 87 0 - 8.6-13.1 HB3 ASP 65 - HD3 LYS 73 far 0 40 0 - 8.8-13.3 HB3 TYR 41 - HD2 LYS 39 far 0 47 0 - 8.8-11.8 HB3 TYR 41 - HD3 LYS 47 far 0 87 0 - 8.9-12.9 HB3 ASP 65 - HD2 LYS 73 far 0 42 0 - 9.3-13.4 HD2 ARG 30 - HD2 LYS 47 far 0 98 0 - 9.8-17.6 HD2 ARG 30 - HD3 LYS 47 far 0 98 0 - 9.9-17.0 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 8 assignments used, quality = 1.00: * H TRP 92 + HB3 ARG 91 OK 100 100 100 100 2.9-4.0 7458=79, 4033/1.8=71...(11) H TRP 92 + HD3 LYS 90 OK 34 86 50 80 4.5-7.1 7453/7422=30...(11) H ASP 87 - HD3 LYS 90 far 13 85 15 - 4.1-7.2 H ASP 87 - HB3 ARG 91 far 0 100 0 - 6.3-8.8 H ASP 87 - HD2 LYS 13 far 0 53 0 - 8.0-11.7 H ASP 87 - HD3 LYS 13 far 0 50 0 - 8.8-12.4 H ASP 87 - HD3 LYS 20 far 0 97 0 - 9.7-14.0 H ASP 87 - HD2 LYS 20 far 0 98 0 - 9.9-13.6 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 2.2-4.5 7444=100, 4025/2.8=79...(20) HE ARG 46 + HG12 ILE 76 OK 62 96 65 99 2.8-6.4 3.6/10176=44, ~9020=43...(16) HE3 TRP 92 - HG2 ARG 91 far 0 59 0 - 5.5-9.9 H LYS 47 - HG12 ILE 76 far 0 96 0 - 6.5-8.6 HZ2 TRP 92 - HG2 ARG 91 far 0 91 0 - 6.8-11.3 H ILE 52 - HG12 ILE 76 far 0 80 0 - 8.0-10.8 HE22 GLN 72 - HG12 ILE 76 far 0 72 0 - 8.5-12.9 Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (3.89, 1.08, 26.80 ppm; 4.01 A): 1 out of 9 assignments used, quality = 1.00: * HA ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.1-3.9 4.0=100 HA ALA 89 - HG2 ARG 91 far 5 98 5 - 4.7-8.2 HA GLU 43 - HG12 ILE 76 far 5 95 5 - 4.8-6.3 HB3 SER 49 - HG12 ILE 76 far 0 68 0 - 5.0-8.5 HA LYS 94 - HG2 ARG 91 far 0 90 0 - 6.2-9.6 HB2 SER 85 - HG2 ARG 91 far 0 96 0 - 7.3-11.2 HB2 SER 102 - HG2 ARG 91 far 0 100 0 - 9.7-20.5 HA TYR 41 - HG12 ILE 76 far 0 53 0 - 9.7-10.8 HA ALA 67 - HG12 ILE 76 far 0 63 0 - 10.0-12.3 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 9 assignments used, quality = 1.00: * HB2 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.3-2.9 2.8=100 HG3 ARG 91 + HG2 ARG 91 OK 70 70 100 100 1.8-1.8 1.8=100 HG2 LYS 73 - HG12 ILE 76 far 0 95 0 - 6.0-11.0 HG13 ILE 52 - HG12 ILE 76 far 0 72 0 - 7.5-10.7 HG LEU 57 - HG2 ARG 91 far 0 96 0 - 7.8-11.1 HG2 LYS 47 - HG12 ILE 76 far 0 95 0 - 8.1-11.8 HG2 LYS 20 - HG2 ARG 91 far 0 79 0 - 9.7-17.0 HG2 LYS 53 - HG12 ILE 76 far 0 81 0 - 9.8-11.6 HB2 LEU 38 - HG12 ILE 76 far 0 68 0 - 9.9-13.2 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 12 assignments used, quality = 1.00: * HB3 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.3-3.0 2.8=100 HB ILE 76 + HG12 ILE 76 OK 55 55 100 100 2.4-3.0 3.0=100 HD3 LYS 90 + HG2 ARG 91 OK 30 97 45 68 2.0-9.5 4039=17, 7438/7444=15...(14) HB3 LEU 70 - HG12 ILE 76 far 0 65 0 - 6.8-10.2 HB ILE 52 - HG12 ILE 76 far 0 92 0 - 7.0-10.7 HD2 LYS 39 - HG12 ILE 76 far 0 73 0 - 7.3-11.3 HD3 LYS 73 - HG12 ILE 76 far 0 88 0 - 8.1-12.1 HD2 LYS 73 - HG12 ILE 76 far 0 90 0 - 8.3-11.4 HG2 PRO 86 - HG2 ARG 91 far 0 99 0 - 8.9-13.9 HG3 LYS 20 - HG2 ARG 91 far 0 99 0 - 9.2-17.2 HD2 LYS 47 - HG12 ILE 76 far 0 96 0 - 9.5-13.1 HG LEU 70 - HG12 ILE 76 far 0 89 0 - 9.5-12.3 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 10 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 66 70 100 95 2.3-2.9 2.8=75, 3.0/4016=24...(24) HG3 LYS 39 - HG12 ILE 76 far 0 93 0 - 7.4-11.1 HG13 ILE 52 - HG12 ILE 76 far 0 95 0 - 7.5-10.7 HG2 LYS 47 - HG12 ILE 76 far 0 53 0 - 8.1-11.8 HG2 LYS 20 - HG2 ARG 91 far 0 100 0 - 9.7-17.0 QB ALA 22 - HG2 ARG 91 far 0 95 0 - 9.8-12.1 HG2 LYS 53 - HG12 ILE 76 far 0 93 0 - 9.8-11.6 HB2 LEU 38 - HG12 ILE 76 far 0 96 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 4050 from cnoeabs.peaks (2.49, 1.08, 26.80 ppm; 3.88 A): 1 out of 5 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 far 15 99 15 - 4.6-8.3 HG3 GLU 95 - HG2 ARG 91 poor 9 59 35 42 3.5-7.9 10040=15, 4.8/9631=9...(10) HB2 ASP 87 - HG2 ARG 91 far 0 99 0 - 5.1-9.3 HG3 GLU 98 - HG2 ARG 91 far 0 98 0 - 8.1-12.1 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 32 53 60 99 4.0-6.2 2.9/9664=41, 3.4/9606=39...(21) HB3 ASP 77 - HG12 ILE 76 far 0 75 0 - 7.0-7.7 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): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + HG2 ARG 91 OK 100 100 100 100 3.0-4.9 7459=100, 4061/1.8=88...(12) H ASP 87 - HG2 ARG 91 far 0 100 0 - 6.3-10.3 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 12 assignments used, quality = 1.00: * H ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.0-4.7 4025/2.8=67, 7444/1.8=66...(16) HE ARG 46 + HG13 ILE 76 OK 49 90 55 98 3.1-6.0 3.6/10177=45...(15) H ILE 52 + HG13 ILE 52 OK 43 44 100 99 4.3-4.7 6862/1.8=66, 6860/3.0=56...(12) HE ARG 19 - HG LEU 29 far 7 67 10 - 4.9-9.1 HE3 TRP 92 - HG3 ARG 91 far 3 59 5 - 4.8-9.6 HZ2 TRP 92 - HG3 ARG 91 far 0 91 0 - 5.7-10.4 H LYS 47 - HG13 ILE 76 far 0 90 0 - 5.9-8.5 H LYS 47 - HG13 ILE 52 far 0 57 0 - 6.6-7.8 H ILE 52 - HG13 ILE 76 far 0 72 0 - 7.6-10.8 HE22 GLN 72 - HG LEU 64 far 0 35 0 - 7.8-11.0 HE ARG 46 - HG13 ILE 52 far 0 57 0 - 9.3-12.7 HE22 GLN 72 - HG13 ILE 76 far 0 65 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 4054 from cnoeabs.peaks (3.89, 1.45, 26.80 ppm; 3.62 A): 4 out of 28 assignments used, quality = 1.00: * HA ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.9-3.8 4.0=74, 4016/1.8=65...(24) HA LEU 38 + HG LEU 38 OK 83 83 100 100 2.9-3.7 3.7=96, 1659/2.1=46...(26) HA GLU 35 + HG LEU 38 OK 81 89 100 91 2.4-4.4 10168/2.1=36...(24) HA ALA 67 + HG LEU 38 OK 22 56 60 66 2.0-6.7 1659/2.1=27, ~9526=18...(12) HB3 SER 49 - HG13 ILE 76 far 6 62 10 - 4.2-8.5 HA GLU 43 - HG13 ILE 76 far 0 89 0 - 4.6-6.3 HA ALA 89 - HG3 ARG 91 far 0 98 0 - 4.6-7.9 HA GLU 63 - HG LEU 38 far 0 69 0 - 6.0-9.1 HA GLU 63 - HG LEU 64 far 0 38 0 - 6.7-7.0 HB3 SER 49 - HG13 ILE 52 far 0 36 0 - 6.8-8.3 HA LYS 40 - HG LEU 38 far 0 73 0 - 7.0-9.6 HA LYS 94 - HG3 ARG 91 far 0 90 0 - 7.1-9.3 HA ALA 67 - HG LEU 64 far 0 29 0 - 7.3-7.7 HB2 SER 85 - HG3 ARG 91 far 0 96 0 - 7.3-10.4 HA TYR 41 - HG LEU 38 far 0 47 0 - 8.2-9.7 HB2 SER 102 - HG3 ARG 91 far 0 100 0 - 8.8-20.4 HA ALA 89 - HG LEU 29 far 0 71 0 - 8.8-9.7 HA GLU 43 - HG13 ILE 52 far 0 56 0 - 9.0-11.2 HA TYR 41 - HG13 ILE 52 far 0 27 0 - 9.2-11.0 HA2 GLY 101 - HG13 ILE 52 far 0 46 0 - 9.2-14.7 HA TYR 41 - HG13 ILE 76 far 0 48 0 - 9.5-10.6 HA3 GLY 101 - HG13 ILE 52 far 0 56 0 - 9.7-14.4 HA LEU 38 - HG LEU 29 far 0 70 0 - 9.8-10.8 HA GLU 43 - HG LEU 38 far 0 88 0 - 9.8-11.9 HB3 SER 9 - HG LEU 29 far 0 40 0 - 9.9-10.7 HA LYS 12 - HG LEU 29 far 0 47 0 - 10.0-11.5 HA2 GLY 100 - HG13 ILE 52 far 0 46 0 - 10.0-12.7 HA LYS 40 - HG13 ILE 76 far 0 74 0 - 10.0-11.5 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): 3 out of 43 assignments used, quality = 1.00: * HB3 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.2-2.9 2.8=100 HB ILE 52 + HG13 ILE 52 OK 53 53 100 100 2.5-3.0 3.0=100 HB ILE 76 + HG13 ILE 76 OK 49 49 100 100 2.4-3.0 3.0=100 HD3 LYS 68 - HG LEU 64 poor 19 33 70 83 2.0-6.0 10264/2.1=19, ~12320=18...(21) HB3 LEU 70 - HG LEU 38 poor 17 57 30 - 3.6-6.8 HD2 LYS 68 - HG LEU 64 poor 17 34 60 84 2.9-6.3 ~10242=19, 10264/2.1=18...(21) HD3 LYS 90 - HG3 ARG 91 poor 12 97 25 49 2.1-10.3 4039/1.8=10, 7438/4.8=9...(11) HG LEU 70 - HG LEU 38 far 4 81 5 - 3.7-8.0 HB2 LEU 2 - HG13 ILE 52 far 0 48 0 - 4.7-7.2 HB3 LEU 6 - HG LEU 38 far 0 56 0 - 5.0-7.8 HB3 LYS 53 - HG13 ILE 52 far 0 57 0 - 5.3-6.2 HD2 LYS 39 - HG LEU 38 far 0 66 0 - 5.4-9.3 HB3 LEU 6 - HG LEU 29 far 0 46 0 - 5.7-6.8 HB2 LYS 40 - HG LEU 38 far 0 52 0 - 5.9-9.2 HB3 LYS 40 - HG LEU 38 far 0 89 0 - 6.2-9.9 HG12 ILE 15 - HG LEU 29 far 0 73 0 - 6.3-8.2 HB ILE 52 - HG13 ILE 76 far 0 85 0 - 6.5-9.8 HD2 LYS 73 - HG13 ILE 76 far 0 83 0 - 6.6-11.9 HD2 LYS 47 - HG13 ILE 52 far 0 57 0 - 6.8-11.5 HB ILE 76 - HG13 ILE 52 far 0 28 0 - 7.0-9.8 HD3 LYS 66 - HG LEU 38 far 0 78 0 - 7.2-10.5 HD3 LYS 73 - HG13 ILE 76 far 0 81 0 - 7.3-12.7 HD3 LYS 66 - HG LEU 64 far 0 44 0 - 7.3-9.2 HD3 LYS 47 - HG13 ILE 52 far 0 57 0 - 7.5-12.1 HB3 LEU 70 - HG13 ILE 76 far 0 58 0 - 7.6-11.0 HD3 LYS 73 - HG LEU 38 far 0 80 0 - 7.8-15.0 HG2 PRO 86 - HG3 ARG 91 far 0 99 0 - 7.9-13.5 HD2 LYS 73 - HG LEU 38 far 0 82 0 - 8.0-15.4 HD2 LYS 39 - HG13 ILE 76 far 0 66 0 - 8.0-12.3 HD2 LYS 20 - HG LEU 29 far 0 75 0 - 8.9-12.4 HD2 LYS 68 - HG LEU 38 far 0 62 0 - 9.0-13.9 HD3 LYS 47 - HG13 ILE 76 far 0 90 0 - 9.1-12.4 HD3 LYS 68 - HG LEU 38 far 0 61 0 - 9.1-14.0 HG3 LYS 20 - HG LEU 29 far 0 74 0 - 9.1-11.9 HB3 LEU 70 - HG LEU 64 far 0 31 0 - 9.1-11.9 HD3 LYS 20 - HG LEU 29 far 0 74 0 - 9.3-12.9 HB ILE 76 - HG LEU 38 far 0 49 0 - 9.3-11.9 HD2 LYS 47 - HG13 ILE 76 far 0 90 0 - 9.4-12.2 HD3 LYS 90 - HG LEU 29 far 0 70 0 - 9.4-13.5 HG LEU 70 - HG LEU 64 far 0 46 0 - 9.6-11.0 HB3 LEU 6 - HG13 ILE 52 far 0 33 0 - 9.8-12.7 HG LEU 70 - HG13 ILE 76 far 0 82 0 - 9.9-12.7 HB3 ARG 79 - HG LEU 64 far 0 36 0 - 9.9-11.9 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 HG2 LYS 82 - HG LEU 64 far 0 47 0 - 5.4-7.3 HG12 ILE 52 - HG13 ILE 76 far 0 53 0 - 7.5-11.1 HG12 ILE 76 - HG13 ILE 52 far 0 54 0 - 7.5-10.7 HB3 ARG 81 - HG3 ARG 91 far 0 92 0 - 7.9-12.4 HB3 ARG 81 - HG LEU 64 far 0 43 0 - 8.0-9.7 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): 2 out of 13 assignments used, quality = 1.00: * HD2 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ASP 87 + HG3 ARG 91 OK 23 99 40 58 3.2-8.3 4031/2.8=15, 8797/4.8=12...(12) HB2 ASP 87 - HG3 ARG 91 far 15 99 15 - 4.5-9.1 HG3 GLU 95 - HG3 ARG 91 poor 12 59 20 - 3.8-8.6 HB3 TYR 4 - HG13 ILE 52 poor 8 39 20 - 3.8-7.0 HB3 ASP 36 - HG LEU 38 far 0 77 0 - 5.9-9.8 HB2 ASP 61 - HG LEU 64 far 0 40 0 - 5.9-7.3 HB2 ASP 36 - HG LEU 38 far 0 78 0 - 6.4-9.7 HB3 TYR 4 - HG LEU 29 far 0 54 0 - 6.4-8.3 HG3 GLU 23 - HG LEU 29 far 0 76 0 - 7.5-9.1 HG3 GLU 63 - HG LEU 64 far 0 35 0 - 8.1-9.0 HG3 GLU 63 - HG LEU 38 far 0 64 0 - 8.2-10.7 HG3 GLU 98 - HG3 ARG 91 far 0 98 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 4060 from cnoeabs.peaks (2.66, 1.45, 26.80 ppm; 4.02 A): 1 out of 14 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 poor 12 48 25 - 4.1-6.9 HB3 ASP 65 - HG LEU 64 far 6 42 15 - 4.5-5.4 HD2 ARG 30 - HG LEU 29 far 0 73 0 - 5.2-7.9 HB3 TYR 41 - HG LEU 38 far 0 72 0 - 5.7-8.9 HB3 ASN 51 - HG13 ILE 52 far 0 53 0 - 6.1-7.8 HB3 ASP 77 - HG13 ILE 52 far 0 40 0 - 6.3-8.7 HB3 ASP 77 - HG13 ILE 76 far 0 68 0 - 6.7-7.6 HG3 MET 74 - HG LEU 38 far 0 47 0 - 7.0-11.3 HB3 TYR 41 - HG13 ILE 52 far 0 44 0 - 8.1-11.4 HB3 TYR 41 - HG LEU 29 far 0 60 0 - 8.6-10.1 HB3 ASP 65 - HG LEU 38 far 0 76 0 - 9.0-13.1 HD2 ARG 30 - HG LEU 38 far 0 85 0 - 9.3-13.1 HB3 TYR 41 - HG13 ILE 76 far 0 72 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 4061 from cnoeabs.peaks (8.14, 1.45, 26.80 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + HG3 ARG 91 OK 100 100 100 100 2.3-5.0 7459/1.8=77, 4033/2.8=76...(10) H ASP 87 - HG3 ARG 91 far 0 100 0 - 6.0-9.9 Violated in 10 structures by 0.12 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 3.8-5.0 4025/3.5=81, 7444/2.9=78...(18) HZ2 TRP 92 - HD2 ARG 91 far 0 91 0 - 7.2-10.3 HE3 TRP 92 - HD2 ARG 91 far 0 59 0 - 7.4-9.9 Violated in 1 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 2.7-4.8 4.8=100 HA ALA 89 - HD2 ARG 91 far 0 98 0 - 6.5-8.8 HB2 SER 85 - HD2 ARG 91 far 0 96 0 - 7.5-10.7 HA LYS 94 - HD2 ARG 91 far 0 90 0 - 7.9-10.4 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 3 assignments used, quality = 1.00: * HB2 ARG 91 + HD2 ARG 91 OK 100 100 100 100 1.9-3.3 3.5=100 HG3 ARG 91 + HD2 ARG 91 OK 70 70 100 100 2.3-3.0 2.9=100 HG LEU 57 - HD2 ARG 91 far 0 96 0 - 9.1-11.7 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 3 assignments used, quality = 1.00: * HB3 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.0-3.9 3.5=100 HD3 LYS 90 + HD2 ARG 91 OK 33 97 50 67 3.8-9.9 4074/1.8=16...(12) HG2 PRO 86 - HD2 ARG 91 far 0 99 0 - 9.7-12.7 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 2 assignments used, quality = 1.00: * HG2 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 ARG 81 - HD2 ARG 91 far 0 92 0 - 9.7-12.5 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 2 assignments used, quality = 1.00: * HG3 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 91 + HD2 ARG 91 OK 69 70 100 100 1.9-3.3 3.5=100 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): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + HD2 ARG 91 OK 100 100 100 100 4.8-5.8 4033/3.5=87, 4061/2.9=86...(8) H ASP 87 - HD2 ARG 91 far 0 100 0 - 6.8-9.6 Violated in 12 structures by 0.05 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 4.3-5.3 7447=86, 4062/1.8=86...(17) HZ2 TRP 92 - HD3 ARG 91 far 0 91 0 - 6.2-10.9 HE3 TRP 92 - HD3 ARG 91 far 0 59 0 - 6.6-10.6 Violated in 2 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 3.3-5.4 4.8=100 HA ALA 89 - HD3 ARG 91 far 5 98 5 - 5.6-9.3 HB2 SER 85 - HD3 ARG 91 far 0 96 0 - 7.2-10.5 HA LYS 94 - HD3 ARG 91 far 0 90 0 - 7.5-10.6 Violated in 2 structures by 0.01 A. Peak 4073 from cnoeabs.peaks (1.49, 2.66, 43.24 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.1-3.9 3.5=100 HG3 ARG 91 + HD3 ARG 91 OK 70 70 100 100 2.2-3.0 2.9=100 HG LEU 57 - HD3 ARG 91 far 0 96 0 - 8.0-12.1 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 3 assignments used, quality = 1.00: * HB3 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.6-3.9 3.5=100 HD3 LYS 90 + HD3 ARG 91 OK 27 97 40 69 3.6-10.4 4065/1.8=18, 4042=16...(12) HG2 PRO 86 - HD3 ARG 91 far 0 99 0 - 9.8-13.2 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 2 assignments used, quality = 1.00: * HG2 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 81 - HD3 ARG 91 far 0 92 0 - 8.0-13.3 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 70 100 100 2.1-3.9 3.5=96, 4067/1.8=29...(26) Violated in 0 structures by 0.00 A. Peak 4077 from cnoeabs.peaks (2.49, 2.66, 43.24 ppm; 2.65 A): 1 out of 5 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 far 0 99 0 - 4.5-7.1 HB2 ASP 87 - HD3 ARG 91 far 0 99 0 - 4.8-8.1 HG3 GLU 95 - HD3 ARG 91 far 0 59 0 - 5.1-9.1 HG3 GLU 98 - HD3 ARG 91 far 0 98 0 - 8.4-13.1 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): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + HD3 ARG 91 OK 100 100 100 100 4.4-6.3 4033/3.5=93, 4061/2.9=92...(8) H ASP 87 - HD3 ARG 91 far 0 100 0 - 7.2-9.5 Violated in 10 structures by 0.06 A. Peak 4080 from cnoeabs.peaks (8.14, 4.82, 58.66 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + HA TRP 92 OK 100 100 100 100 2.8-2.9 2.9=100 H GLY 100 - HA TRP 92 far 0 100 0 - 8.7-11.3 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 4 assignments used, quality = 1.00: * HB2 TRP 92 + HA TRP 92 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 PHE 96 - HA TRP 92 far 0 100 0 - 5.5-6.1 HD3 ARG 79 - HA TRP 92 far 0 82 0 - 8.6-12.4 HD2 ARG 79 - HA TRP 92 far 0 79 0 - 8.9-12.4 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 1 assignment used, quality = 1.00: * HB3 TRP 92 + HA TRP 92 OK 100 100 100 100 2.5-2.8 3.0=100 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 2.4-4.5 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 2.1-5.1 4.8=100 H ALA 89 + HA TRP 92 OK 90 100 90 100 6.8-7.5 9934/4.5=75, ~3905=68...(11) H ARG 91 + HA TRP 92 OK 58 59 100 97 5.1-5.3 7455/2.9=59, 10983=47...(7) 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 3.5-3.6 3.6=100 H GLU 95 + HA TRP 92 OK 100 100 100 100 3.4-3.9 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 3.5-3.6 3.6=100 * H GLU 95 + HA TRP 92 OK 100 100 100 100 3.4-3.9 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 2.7-5.0 4284=76, 7539/7525=59...(8) HG2 GLU 99 - HA TRP 92 far 0 95 0 - 6.2-9.4 HG2 GLU 98 - HA TRP 92 far 0 99 0 - 8.4-11.3 Violated in 9 structures by 0.17 A. Peak 4093 from cnoeabs.peaks (2.16, 4.82, 58.66 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.83: * HB3 GLU 95 + HA TRP 92 OK 83 100 85 97 2.5-5.6 1.8/4284=56...(9) HG2 GLU 88 - HA TRP 92 far 0 95 0 - 6.4-8.9 HG2 GLU 104 - HA TRP 92 far 0 99 0 - 8.7-19.2 Violated in 11 structures by 0.45 A. Peak 4094 from cnoeabs.peaks (3.90, 3.10, 29.79 ppm; 5.29 A): 2 out of 9 assignments used, quality = 1.00: * HA ALA 89 + HB2 TRP 92 OK 100 100 100 100 2.3-3.0 3905=100, 4106/1.8=85...(13) HA ARG 91 + HB2 TRP 92 OK 95 98 100 97 5.5-5.8 3.6/7464=89, ~10983=41...(8) HB2 SER 102 - HB2 HIS 105 far 0 59 0 - 7.2-12.3 HA LYS 94 - HB2 TRP 92 far 0 68 0 - 7.6-8.1 HB2 SER 102 - HB2 TRP 92 far 0 100 0 - 8.2-18.0 HA2 GLY 101 - HB2 HIS 105 far 0 34 0 - 8.6-15.4 HB2 SER 85 - HB2 TRP 92 far 0 100 0 - 9.0-9.9 HA3 GLY 101 - HB2 HIS 105 far 0 59 0 - 9.1-15.7 HA2 GLY 100 - HB2 HIS 105 far 0 34 0 - 9.9-18.5 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 3 assignments used, quality = 1.00: * H TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.1-2.4 4.0=100 H HIS 106 + HB2 HIS 105 OK 43 52 100 83 2.1-4.4 4.7=72, 11097/1.8=33...(4) H ASP 87 - HB2 TRP 92 far 0 100 0 - 8.4-9.3 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 2 assignments used, quality = 1.00: * HA TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.9-3.0 3.0=100 HA VAL 83 - HB2 TRP 92 far 0 90 0 - 6.8-7.9 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 2 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 far 0 57 0 - 5.0-7.2 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 2 assignments used, quality = 1.00: * HD1 TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.5-3.6 3.9=100 HE21 GLN 72 - HB2 HIS 105 far 0 52 0 - 8.7-21.3 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 4 assignments used, quality = 1.00: * HE3 TRP 92 + HB2 TRP 92 OK 100 100 100 100 3.0-4.2 4.2=100 H ALA 89 + HB2 TRP 92 OK 99 100 100 100 4.4-5.3 3.0/3905=73...(10) H ARG 91 + HB2 TRP 92 OK 54 59 100 91 4.3-4.8 4.6/7464=66, 3.0/4094=29...(6) HE22 GLN 72 - HB2 HIS 105 far 0 58 0 - 9.3-21.5 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 2 assignments used, quality = 1.00: * H ILE 93 + HB2 TRP 92 OK 100 100 100 100 2.5-3.2 4.5=100 H GLU 95 + HB2 TRP 92 OK 93 100 95 97 5.6-6.1 7525/3.0=84, 10038=46...(8) Violated in 0 structures by 0.00 A. Peak 4106 from cnoeabs.peaks (3.90, 3.19, 29.79 ppm; 5.12 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 89 + HB3 TRP 92 OK 100 100 100 100 3.5-4.6 3906=100, 3905/1.8=92...(12) HA ARG 91 - HB3 TRP 92 far 0 98 0 - 6.4-6.6 HB2 SER 102 - HB3 TRP 92 far 0 100 0 - 6.6-16.3 HA LYS 94 - HB3 TRP 92 far 0 68 0 - 7.5-8.1 HA3 GLY 101 - HB2 HIS 106 far 0 82 0 - 8.3-17.9 HA2 GLY 101 - HB3 TRP 92 far 0 68 0 - 9.3-16.2 HB2 SER 102 - HB2 HIS 106 far 0 83 0 - 9.3-16.1 HA2 GLY 101 - HB2 HIS 106 far 0 50 0 - 9.8-18.4 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 3 assignments used, quality = 1.00: * H TRP 92 + HB3 TRP 92 OK 100 100 100 100 3.3-3.6 4.0=100 H HIS 106 + HB2 HIS 106 OK 75 75 100 100 2.2-4.1 4.0=100 H GLY 100 - HB3 TRP 92 far 0 100 0 - 9.3-12.0 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 2 assignments used, quality = 1.00: * HA TRP 92 + HB3 TRP 92 OK 100 100 100 100 2.5-2.8 3.0=100 HA VAL 83 - HB3 TRP 92 far 0 90 0 - 7.3-8.9 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 8 assignments used, quality = 1.00: * HB2 TRP 92 + HB3 TRP 92 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 105 - HB2 HIS 106 far 0 49 0 - 4.9-7.8 HB2 HIS 105 - HB2 HIS 106 far 0 67 0 - 5.0-7.2 HB2 PHE 96 - HB3 TRP 92 far 0 100 0 - 5.1-5.8 HD3 ARG 79 - HB3 TRP 92 far 0 82 0 - 7.0-11.5 HD3 ARG 79 - HB2 HIS 106 far 0 63 0 - 7.3-18.5 HD2 ARG 79 - HB2 HIS 106 far 0 60 0 - 7.8-18.5 HD2 ARG 79 - HB3 TRP 92 far 0 79 0 - 8.2-11.1 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 2 assignments used, quality = 1.00: * HD1 TRP 92 + HB3 TRP 92 OK 100 100 100 100 3.5-3.7 3.9=100 HE21 GLN 72 - HB2 HIS 106 far 0 75 0 - 6.2-18.4 Violated in 0 structures by 0.00 A. Peak 4112 from cnoeabs.peaks (7.43, 3.19, 29.79 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * HE3 TRP 92 + HB3 TRP 92 OK 100 100 100 100 2.8-3.2 4.2=100 H ARG 91 - HB3 TRP 92 far 0 59 0 - 5.8-6.3 H ALA 89 - HB3 TRP 92 far 0 100 0 - 6.0-6.9 HE22 GLN 72 - HB2 HIS 106 far 0 81 0 - 6.8-18.9 HE3 TRP 92 - HB2 HIS 106 far 0 84 0 - 9.4-22.2 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 2 assignments used, quality = 1.00: * H ILE 93 + HB3 TRP 92 OK 100 100 100 100 2.9-3.9 4.5=100 H GLU 95 + HB3 TRP 92 OK 90 100 100 90 5.3-5.7 7525/3.0=79, 4105/1.8=36...(6) 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 2.8-2.8 3.0=100 H GLU 95 + HA ILE 93 OK 98 100 100 98 4.1-4.6 7528/3.6=65...(13) H TYR 4 - HA ILE 93 far 0 100 0 - 8.0-9.1 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 6 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 - 7.1-8.8 HB3 LYS 90 - HA ILE 93 far 0 75 0 - 7.4-8.4 HB2 LYS 90 - HA ILE 93 far 0 99 0 - 7.4-8.5 HB2 LYS 53 - HA ILE 93 far 0 61 0 - 8.9-10.1 HB2 GLU 88 - HA ILE 93 far 0 100 0 - 9.7-10.9 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 12 assignments used, quality = 1.00: * QG2 ILE 93 + HA ILE 93 OK 100 100 100 100 2.3-2.5 3.2=89, 3.2/4122=34...(31) HG13 ILE 93 + HA ILE 93 OK 98 100 100 98 2.3-3.3 4.0=46, 1.8/4122=46...(26) QD1 ILE 93 + HA ILE 93 OK 90 93 100 96 2.1-3.9 2.1/4122=43, 4163=42...(20) QG1 VAL 5 + HA ILE 93 OK 22 87 35 73 3.4-4.7 2.1/8176=25...(10) QD1 LEU 27 + HA ILE 93 OK 20 94 30 71 3.6-4.6 10485/4.0=14...(20) QD2 LEU 27 - HA ILE 93 far 0 91 0 - 6.1-6.9 HG3 ARG 81 - HA ILE 93 far 0 99 0 - 6.8-10.2 QG1 VAL 54 - HA ILE 93 far 0 99 0 - 7.7-8.6 QG1 VAL 78 - HA ILE 93 far 0 100 0 - 9.1-12.3 QG2 VAL 78 - HA ILE 93 far 0 79 0 - 9.3-11.8 QD1 LEU 6 - HA ILE 93 far 0 92 0 - 9.5-10.9 HG13 ILE 56 - HA ILE 93 far 0 65 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 4122 from cnoeabs.peaks (2.04, 3.54, 66.22 ppm; 3.88 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 93 + HA ILE 93 OK 100 100 100 100 2.2-3.8 4.0=93, 2.1/4163=68...(22) HB2 MET 21 - HA ILE 93 far 0 98 0 - 5.1-7.5 HB3 LYS 94 - HA ILE 93 far 0 96 0 - 5.5-6.6 HB3 GLU 99 - HA ILE 93 far 0 100 0 - 7.1-11.0 HB2 GLU 99 - HA ILE 93 far 0 100 0 - 7.5-11.1 HB2 GLU 98 - HA ILE 93 far 0 100 0 - 7.6-10.0 HB3 GLU 98 - HA ILE 93 far 0 100 0 - 9.2-10.3 HB3 GLU 17 - HA ILE 93 far 0 75 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (0.74, 3.54, 66.22 ppm; 3.07 A): 4 out of 14 assignments used, quality = 1.00: QG2 ILE 93 + HA ILE 93 OK 99 100 100 100 2.3-2.5 3.2=89, 3.2/4122=34...(31) * HG13 ILE 93 + HA ILE 93 OK 98 100 100 98 2.3-3.3 4.0=46, 1.8/4122=46...(26) QD1 ILE 93 + HA ILE 93 OK 80 84 100 96 2.1-3.9 2.1/4122=43, 4.2=41...(20) QG1 VAL 5 + HA ILE 93 OK 25 95 35 75 3.4-4.7 8195/9262=28...(10) QD1 LEU 27 - HA ILE 93 poor 18 85 30 69 3.6-4.6 10485/4.0=13...(20) QD2 LEU 27 - HA ILE 93 far 0 97 0 - 6.1-6.9 HG3 ARG 81 - HA ILE 93 far 0 100 0 - 6.8-10.2 QG1 VAL 54 - HA ILE 93 far 0 94 0 - 7.7-8.6 QD2 LEU 14 - HA ILE 93 far 0 68 0 - 8.6-10.3 QD1 ILE 56 - HA ILE 93 far 0 65 0 - 9.0-10.9 QG1 VAL 78 - HA ILE 93 far 0 100 0 - 9.1-12.3 QG2 VAL 78 - HA ILE 93 far 0 90 0 - 9.3-11.8 QD1 LEU 6 - HA ILE 93 far 0 82 0 - 9.5-10.9 HG13 ILE 56 - HA ILE 93 far 0 79 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (0.77, 3.54, 66.22 ppm; 3.25 A): 4 out of 10 assignments used, quality = 1.00: * QD1 ILE 93 + HA ILE 93 OK 99 100 100 99 2.1-3.9 4163=55, 2.1/4122=49...(20) QG2 ILE 93 + HA ILE 93 OK 93 93 100 100 2.3-2.5 3.2=100 HG13 ILE 93 + HA ILE 93 OK 83 84 100 99 2.3-3.3 4.0=55, 1.8/4122=53...(25) QD1 LEU 27 + HA ILE 93 OK 47 100 60 79 3.6-4.6 10485/4.0=18...(21) QD2 LEU 57 - HA ILE 93 far 0 84 0 - 4.3-5.3 HG3 ARG 81 - HA ILE 93 far 0 77 0 - 6.8-10.2 QG1 VAL 54 - HA ILE 93 far 0 99 0 - 7.7-8.6 QG2 ILE 7 - HA ILE 93 far 0 79 0 - 8.6-9.7 QG1 VAL 78 - HA ILE 93 far 0 87 0 - 9.1-12.3 QD1 LEU 6 - HA ILE 93 far 0 100 0 - 9.5-10.9 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 27 - HA ILE 93 far 0 88 0 - 8.0-9.5 H GLU 23 - HA ILE 93 far 0 98 0 - 8.2-9.5 H LEU 103 - HA ILE 93 far 0 88 0 - 10.0-15.8 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 3 assignments used, quality = 1.00: * H PHE 96 + HA ILE 93 OK 100 100 100 100 3.1-3.5 7547=100, 7522/3.6=70...(11) H SER 97 + HA ILE 93 OK 100 100 100 100 4.1-4.8 7565=81, 7571/4325=54...(13) H LEU 27 - HA ILE 93 far 0 79 0 - 8.0-9.5 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 4 assignments used, quality = 1.00: * HB2 PHE 96 + HA ILE 93 OK 100 100 100 100 2.0-2.9 4325=88, 1.8/4128=73...(19) HB2 TRP 92 + HA ILE 93 OK 78 100 95 82 4.3-5.0 9987/10009=40...(9) HD3 ARG 79 - HA ILE 93 far 0 85 0 - 7.2-12.0 HD2 ARG 79 - HA ILE 93 far 0 82 0 - 8.6-11.3 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 2.4-3.2 4334=95, 1.8/4325=75...(15) 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 2 assignments used, quality = 0.99: * HA LYS 90 + HB ILE 93 OK 99 100 100 99 2.7-4.0 10025/3.2=56...(19) HA GLU 88 - HB ILE 93 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 4130 from cnoeabs.peaks (8.36, 1.80, 37.57 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 93 + HB ILE 93 OK 100 100 100 100 2.4-2.7 7493=100, 7495/3.0=58...(19) H GLU 95 - HB ILE 93 far 0 100 0 - 4.8-5.4 H TYR 4 - HB ILE 93 far 0 100 0 - 9.9-11.3 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): 3 out of 8 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 2.4-2.9 3.0=100 QD1 ILE 93 + HB ILE 93 OK 91 93 100 98 2.0-3.2 3.2=81, 4163/3.0=30...(20) QG1 VAL 5 - HB ILE 93 far 0 87 0 - 4.3-5.3 QD1 LEU 27 - HB ILE 93 far 0 94 0 - 4.5-5.4 QD2 LEU 27 - HB ILE 93 far 0 91 0 - 7.1-8.0 HG3 ARG 81 - HB ILE 93 far 0 99 0 - 8.9-12.1 QG1 VAL 54 - HB ILE 93 far 0 99 0 - 9.3-10.6 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 7 assignments used, quality = 1.00: * HG12 ILE 93 + HB ILE 93 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 MET 21 + HB ILE 93 OK 96 98 100 99 2.2-4.5 3.0/10011=45...(18) HB3 LYS 94 + HB ILE 93 OK 43 96 50 90 3.9-5.7 7509/7507=62, ~12249=31...(14) HB3 GLU 17 - HB ILE 93 far 0 75 0 - 7.4-9.1 HB2 GLU 98 - HB ILE 93 far 0 100 0 - 8.8-11.2 HB3 GLU 99 - HB ILE 93 far 0 100 0 - 9.7-13.3 HB2 GLU 99 - HB ILE 93 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 4135 from cnoeabs.peaks (0.74, 1.80, 37.57 ppm; 3.01 A): 3 out of 9 assignments used, quality = 1.00: * HG13 ILE 93 + HB ILE 93 OK 100 100 100 100 2.4-2.9 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 82 84 100 97 2.0-3.2 3.2=81, 4163/3.0=26...(19) QG1 VAL 5 - HB ILE 93 far 0 95 0 - 4.3-5.3 QD1 LEU 27 - HB ILE 93 far 0 85 0 - 4.5-5.4 QD2 LEU 27 - HB ILE 93 far 0 97 0 - 7.1-8.0 QD2 LEU 14 - HB ILE 93 far 0 68 0 - 7.5-9.6 HG3 ARG 81 - HB ILE 93 far 0 100 0 - 8.9-12.1 QG1 VAL 54 - HB ILE 93 far 0 94 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (0.77, 1.80, 37.57 ppm; 3.14 A): 3 out of 8 assignments used, quality = 1.00: * QD1 ILE 93 + HB ILE 93 OK 99 100 100 99 2.0-3.2 3.2=92, 4163/3.0=36...(20) 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 2.4-2.9 3.0=100 QD1 LEU 27 - HB ILE 93 far 0 100 0 - 4.5-5.4 QD2 LEU 57 - HB ILE 93 far 0 84 0 - 4.8-6.5 QG2 ILE 7 - HB ILE 93 far 0 79 0 - 8.2-9.2 HG3 ARG 81 - HB ILE 93 far 0 77 0 - 8.9-12.1 QG1 VAL 54 - HB ILE 93 far 0 99 0 - 9.3-10.6 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 2.3-2.9 7507=100, 7498/7493=56...(22) H GLU 23 - HB ILE 93 far 0 98 0 - 6.4-7.7 H LEU 27 - HB ILE 93 far 0 88 0 - 7.6-9.1 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 3.7-3.8 4.0=100 H GLU 95 + QG2 ILE 93 OK 99 100 100 99 4.6-5.3 3.6/12249=63...(13) H TYR 4 - QG2 ILE 93 far 0 100 0 - 6.5-7.6 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 2.3-2.5 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): 1 out of 6 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 far 0 75 0 - 5.4-6.8 HB2 LYS 90 - QG2 ILE 93 far 0 99 0 - 5.5-6.9 HB3 LEU 57 - QG2 ILE 93 far 0 91 0 - 6.7-8.1 HB2 LYS 53 - QG2 ILE 93 far 0 61 0 - 8.5-9.4 HB2 GLU 88 - QG2 ILE 93 far 0 100 0 - 9.3-10.4 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 11 assignments used, quality = 1.00: * HG12 ILE 93 + QG2 ILE 93 OK 100 100 100 100 2.0-3.1 3.2=100 HB2 MET 21 + QG2 ILE 93 OK 92 98 95 100 2.2-4.7 1.8/10013=47, 8559=43...(25) HB3 LYS 94 + QG2 ILE 93 OK 21 96 25 88 4.0-5.5 3.0/12249=47...(13) HB2 GLU 98 - QG2 ILE 93 far 0 100 0 - 7.0-8.9 HB2 GLU 99 - QG2 ILE 93 far 0 100 0 - 7.6-10.6 HB3 GLU 99 - QG2 ILE 93 far 0 100 0 - 7.6-10.6 HB3 GLU 17 - QG2 ILE 93 far 0 75 0 - 7.7-9.0 HG3 GLU 28 - QG2 ILE 93 far 0 84 0 - 7.8-9.8 HG2 GLU 28 - QG2 ILE 93 far 0 84 0 - 7.8-10.0 HB3 GLU 98 - QG2 ILE 93 far 0 100 0 - 8.4-9.4 HB2 GLU 16 - QG2 ILE 93 far 0 61 0 - 9.5-11.3 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 3 assignments used, quality = 1.00: * H LYS 94 + QG2 ILE 93 OK 100 100 100 100 2.9-3.7 4.3=100 H GLU 23 + QG2 ILE 93 OK 84 98 90 95 4.3-5.4 6354/11002=52...(12) H LEU 27 + QG2 ILE 93 OK 42 88 55 86 4.6-5.8 8638/10028=31...(9) 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 2.6-4.0 7495=100, 7493/3.0=81...(14) H GLU 95 - HG12 ILE 93 far 0 100 0 - 5.9-7.3 H TYR 4 - HG12 ILE 93 far 0 100 0 - 7.8-10.6 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 2.2-3.8 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): 1 out of 5 assignments used, quality = 1.00: * HB ILE 93 + HG12 ILE 93 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 90 - HG12 ILE 93 far 5 99 5 - 5.0-8.3 HB3 LYS 90 - HG12 ILE 93 far 4 75 5 - 4.8-8.3 HB3 LEU 57 - HG12 ILE 93 far 0 91 0 - 5.3-7.6 HB2 GLU 88 - HG12 ILE 93 far 0 100 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 4149 from cnoeabs.peaks (0.75, 2.04, 30.82 ppm; 3.04 A): 4 out of 15 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 2.0-3.1 3.2=87, 3.2/4122=33...(14) 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 59 87 95 72 1.9-4.0 10198=31, 8195/9266=17...(11) QD1 LEU 27 - HG12 ILE 93 far 0 94 0 - 4.0-5.7 QD2 LEU 27 - HG12 ILE 93 far 0 91 0 - 6.3-8.1 QG1 VAL 54 - HG12 ILE 93 far 0 99 0 - 6.9-9.7 HG3 ARG 81 - HG12 ILE 93 far 0 99 0 - 8.1-11.4 QD1 LEU 6 - HG12 ILE 93 far 0 92 0 - 8.2-10.7 HG13 ILE 56 - HG12 ILE 93 far 0 65 0 - 8.4-11.9 QG1 VAL 78 - HG12 ILE 93 far 0 100 0 - 8.9-14.1 QD1 ILE 15 - HG12 ILE 93 far 0 99 0 - 9.0-10.8 QG1 VAL 58 - HG12 ILE 93 far 0 77 0 - 9.2-11.4 HG13 ILE 15 - HG12 ILE 93 far 0 100 0 - 9.3-10.7 QG2 VAL 78 - HG12 ILE 93 far 0 79 0 - 9.3-12.0 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): 4 out of 18 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 98 2.0-3.1 3.2=87, 3.2/4122=33...(14) 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 67 95 95 75 1.9-4.0 10198=35, 8195/9266=20...(11) QD1 LEU 27 - HG12 ILE 93 far 0 85 0 - 4.0-5.7 QD2 LEU 27 - HG12 ILE 93 far 0 97 0 - 6.3-8.1 QD2 LEU 14 - HG12 ILE 93 far 0 68 0 - 6.8-8.9 QG1 VAL 54 - HG12 ILE 93 far 0 94 0 - 6.9-9.7 QD1 ILE 56 - HG12 ILE 93 far 0 65 0 - 8.0-11.8 HG3 ARG 81 - HG12 ILE 93 far 0 100 0 - 8.1-11.4 QD1 LEU 6 - HG12 ILE 93 far 0 82 0 - 8.2-10.7 HG13 ILE 56 - HG12 ILE 93 far 0 79 0 - 8.4-11.9 QG1 VAL 78 - HG12 ILE 93 far 0 100 0 - 8.9-14.1 QD1 ILE 15 - HG12 ILE 93 far 0 96 0 - 9.0-10.8 QG1 VAL 58 - HG12 ILE 93 far 0 88 0 - 9.2-11.4 HG13 ILE 15 - HG12 ILE 93 far 0 99 0 - 9.3-10.7 QD1 ILE 8 - HG12 ILE 93 far 0 70 0 - 9.3-12.4 QG2 VAL 78 - HG12 ILE 93 far 0 90 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (0.77, 2.04, 30.82 ppm; 3.13 A): 3 out of 12 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 2.0-3.1 3.2=94, 3.2/4122=36...(14) HG13 ILE 93 + HG12 ILE 93 OK 84 84 100 100 1.8-1.8 1.8=100 QD2 LEU 57 - HG12 ILE 93 poor 16 84 45 43 2.6-5.1 10217/9266=16...(11) QD1 LEU 27 - HG12 ILE 93 far 5 100 5 - 4.0-5.7 QG2 ILE 7 - HG12 ILE 93 far 0 79 0 - 6.5-7.5 QG1 VAL 54 - HG12 ILE 93 far 0 99 0 - 6.9-9.7 HG3 ARG 81 - HG12 ILE 93 far 0 77 0 - 8.1-11.4 QD1 LEU 6 - HG12 ILE 93 far 0 100 0 - 8.2-10.7 QG1 VAL 78 - HG12 ILE 93 far 0 87 0 - 8.9-14.1 QD1 ILE 15 - HG12 ILE 93 far 0 99 0 - 9.0-10.8 HG13 ILE 15 - HG12 ILE 93 far 0 96 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (8.26, 2.04, 30.82 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 94 + HG12 ILE 93 OK 100 100 100 100 4.5-5.3 7507/3.0=100...(15) H GLU 23 + HG12 ILE 93 OK 35 98 55 65 6.1-8.6 4145/3.2=36, 3.6/8583=33 H LEU 27 - HG12 ILE 93 far 13 88 15 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 4154 from cnoeabs.peaks (8.36, 0.74, 30.82 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 93 + HG13 ILE 93 OK 100 100 100 100 1.9-4.0 4.6=100 H GLU 95 - HG13 ILE 93 far 15 100 15 - 5.7-7.2 H TYR 4 - HG13 ILE 93 far 0 100 0 - 8.3-11.2 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 2.3-3.3 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): 1 out of 5 assignments used, quality = 1.00: * HB ILE 93 + HG13 ILE 93 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 LEU 57 - HG13 ILE 93 poor 12 91 25 54 5.0-7.3 9267/10019=19...(9) HB2 LYS 90 - HG13 ILE 93 far 5 99 5 - 4.7-8.1 HB3 LYS 90 - HG13 ILE 93 far 4 75 5 - 4.4-7.6 HB2 GLU 88 - HG13 ILE 93 far 0 100 0 - 7.9-10.8 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): 1 out of 8 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 far 15 98 15 - 3.6-6.3 HB3 LYS 94 - HG13 ILE 93 far 0 96 0 - 5.6-8.3 HB3 GLU 17 - HG13 ILE 93 far 0 75 0 - 7.2-9.3 HB3 GLU 99 - HG13 ILE 93 far 0 100 0 - 9.2-14.1 HG3 GLU 28 - HG13 ILE 93 far 0 84 0 - 9.5-14.1 HB2 GLU 99 - HG13 ILE 93 far 0 100 0 - 9.7-13.6 HB2 GLU 98 - HG13 ILE 93 far 0 100 0 - 9.9-12.3 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 2.4-3.4 7495/2.1=84, 7493/3.2=69...(25) H GLU 95 - QD1 ILE 93 far 0 100 0 - 5.4-6.5 H TYR 4 - QD1 ILE 93 far 0 100 0 - 7.6-9.8 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 2.1-3.9 4.2=88, 4122/2.1=72...(23) Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (1.80, 0.77, 14.14 ppm; 3.42 A): 3 out of 6 assignments used, quality = 1.00: * HB ILE 93 + QD1 ILE 93 OK 100 100 100 100 2.0-3.2 3.2=100 HB2 LYS 90 + QD1 ILE 93 OK 26 99 30 88 3.7-5.5 3.0/10025=42...(18) HB3 LYS 90 + QD1 ILE 93 OK 26 75 40 85 3.6-5.5 3.0/10025=42...(17) HB3 LEU 57 - QD1 ILE 93 far 9 91 10 - 4.1-5.4 HB2 GLU 88 - QD1 ILE 93 far 0 100 0 - 6.7-7.9 HB2 LYS 53 - QD1 ILE 93 far 0 61 0 - 9.1-11.2 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 10 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 90 98 95 97 2.5-4.3 8559=25, 3.0/10024=24...(26) HB3 GLU 17 - QD1 ILE 93 far 0 75 0 - 5.0-6.8 HB3 LYS 94 - QD1 ILE 93 far 0 96 0 - 5.2-6.8 HB2 GLU 16 - QD1 ILE 93 far 0 61 0 - 7.9-9.4 HG3 GLU 28 - QD1 ILE 93 far 0 84 0 - 8.4-11.0 HG2 GLU 28 - QD1 ILE 93 far 0 84 0 - 8.5-11.7 HB2 GLU 98 - QD1 ILE 93 far 0 100 0 - 9.0-11.5 HB3 GLU 99 - QD1 ILE 93 far 0 100 0 - 9.6-12.6 HB2 GLU 99 - QD1 ILE 93 far 0 100 0 - 9.8-13.0 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): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + QD1 ILE 93 OK 100 100 100 100 3.9-4.5 7507/3.2=82, 3.6/4163=70...(24) H GLU 23 - QD1 ILE 93 poor 20 98 20 - 5.3-6.6 H LEU 27 - QD1 ILE 93 far 0 88 0 - 6.9-8.2 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 3 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 - 7.6-9.1 H GLU 23 - HA LYS 94 far 0 98 0 - 7.7-8.9 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 12 assignments used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LEU 14 - HA LYS 12 far 0 58 0 - 5.1-6.0 HB2 LYS 13 - HA LYS 12 far 0 68 0 - 5.5-6.6 HB3 LYS 13 - HA LYS 12 far 0 67 0 - 5.8-6.6 HB2 ARG 19 - HA LYS 12 far 0 46 0 - 7.2-10.0 HB3 ARG 19 - HA LYS 12 far 0 68 0 - 7.7-9.7 HB2 LYS 20 - HA LYS 94 far 0 71 0 - 9.0-10.9 HB2 GLU 17 - HA LYS 12 far 0 59 0 - 9.1-10.3 HB3 LYS 33 - HA LYS 12 far 0 68 0 - 9.3-12.6 HB3 LYS 20 - HA LYS 94 far 0 98 0 - 9.3-11.8 HB2 LYS 33 - HA LYS 12 far 0 69 0 - 9.5-12.3 HB2 GLU 17 - HA LYS 94 far 0 93 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (2.02, 3.87, 59.89 ppm; 3.70 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 MET 21 - HA LYS 94 far 8 81 10 - 4.2-6.8 HB2 GLU 98 - HA LYS 94 far 0 90 0 - 5.4-7.3 HG12 ILE 93 - HA LYS 94 far 0 96 0 - 6.4-6.6 HB3 GLU 98 - HA LYS 94 far 0 91 0 - 6.9-7.9 HB3 GLU 17 - HA LYS 12 far 0 62 0 - 7.4-8.9 HB3 GLU 99 - HA LYS 94 far 0 96 0 - 8.0-10.9 HB2 GLU 99 - HA LYS 94 far 0 91 0 - 8.1-11.0 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 2.6-3.8 3.7=100 QB ALA 25 + HA LYS 94 OK 97 100 100 97 2.8-3.7 10334=58, 10078/4349=48...(11) HG LEU 14 - HA LYS 12 far 0 66 0 - 7.1-8.0 HB3 LEU 27 - HA LYS 94 far 0 100 0 - 7.6-8.9 QB ALA 89 - HA LYS 94 far 0 100 0 - 8.0-9.5 QB ALA 89 - HA LYS 12 far 0 69 0 - 8.2-9.0 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 2.2-3.7 3.7=90, 7516/3.0=46...(24) HG LEU 14 - HA LYS 12 far 0 45 0 - 7.1-8.0 HB3 LEU 27 - HA LYS 94 far 0 63 0 - 7.6-8.9 Violated in 4 structures by 0.02 A. Peak 4176 from cnoeabs.peaks (1.62, 3.87, 59.89 ppm; 3.96 A): 3 out of 7 assignments used, quality = 0.93: * HD2 LYS 94 + HA LYS 94 OK 65 100 65 100 4.5-5.5 3.0/4175=65, 4.7=58...(45) HD3 LYS 94 + HA LYS 94 OK 63 84 75 100 4.1-5.5 3.0/4175=65, 4.7=58...(46) HG3 LYS 12 + HA LYS 12 OK 46 46 100 100 2.1-3.8 3.7=100 HG LEU 27 - HA LYS 94 far 0 84 0 - 5.7-7.1 HG2 LYS 24 - HA LYS 94 far 0 61 0 - 6.0-9.0 HG2 ARG 19 - HA LYS 12 far 0 34 0 - 6.5-10.1 HB3 LEU 29 - HA LYS 94 far 0 81 0 - 9.9-11.5 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 8 assignments used, quality = 0.96: * HD3 LYS 94 + HA LYS 94 OK 70 100 70 100 4.1-5.5 3.0/4175=65, 4.7=58...(46) HG3 LYS 12 + HA LYS 12 OK 69 69 100 100 2.1-3.8 3.7=100 HD2 LYS 94 + HA LYS 94 OK 54 84 65 100 4.5-5.5 3.0/4175=65, 4.7=58...(45) HG LEU 27 - HA LYS 94 far 0 100 0 - 5.7-7.1 HG2 LYS 24 - HA LYS 94 far 0 98 0 - 6.0-9.0 HG2 ARG 19 - HA LYS 12 far 0 64 0 - 6.5-10.1 HG3 LYS 90 - HA LYS 94 far 0 97 0 - 7.5-10.5 HB3 LEU 29 - HA LYS 94 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 4178 from cnoeabs.peaks (2.92, 3.87, 59.89 ppm; 6.50 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HA LYS 94 OK 100 100 100 100 3.6-6.7 6.0=100 HE3 LYS 94 + HA LYS 94 OK 99 99 100 100 4.3-6.5 6.0=100 HG2 MET 21 + HA LYS 94 OK 92 92 100 100 4.6-6.7 10012/12249=88...(13) HE3 LYS 13 - HA LYS 12 poor 11 35 30 - 6.6-9.3 HB2 ASN 10 - HA LYS 12 far 0 67 0 - 7.4-8.0 HE3 LYS 90 - HA LYS 12 far 0 62 0 - 8.8-15.6 HE3 LYS 20 - HA LYS 12 far 0 68 0 - 8.8-13.5 HE2 LYS 20 - HA LYS 12 far 0 67 0 - 8.8-13.1 HE3 LYS 90 - HA LYS 94 far 0 96 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 4179 from cnoeabs.peaks (2.91, 3.87, 59.89 ppm; 6.50 A): 3 out of 8 assignments used, quality = 1.00: * HE3 LYS 94 + HA LYS 94 OK 100 100 100 100 4.3-6.5 6.0=100 HE2 LYS 94 + HA LYS 94 OK 99 99 100 100 3.6-6.7 6.0=100 HG2 MET 21 + HA LYS 94 OK 79 79 100 100 4.6-6.7 10012/12249=79...(13) HB2 ASN 10 - HA LYS 12 far 0 61 0 - 7.4-8.0 HE3 LYS 90 - HA LYS 12 far 0 52 0 - 8.8-15.6 HE3 LYS 20 - HA LYS 12 far 0 69 0 - 8.8-13.5 HE2 LYS 20 - HA LYS 12 far 0 69 0 - 8.8-13.1 HE3 LYS 90 - HA LYS 94 far 0 85 0 - 9.6-11.3 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 2 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 98 100 100 98 5.2-5.4 7498/3.0=79...(11) 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 3 assignments used, quality = 1.00: * H SER 97 + HA LYS 94 OK 100 100 100 100 3.7-4.1 7566=100, 4350/4349=63...(11) H PHE 96 + HA LYS 94 OK 99 100 100 99 4.1-4.8 7522/3.0=80, 7550/3.6=64...(8) H LEU 27 - HA LYS 94 far 0 85 0 - 7.6-9.1 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 = 0.93: * HB2 SER 97 + HA LYS 94 OK 90 100 90 100 3.6-5.2 4349=100, 1.8/4355=69...(6) HB3 SER 97 + HA LYS 94 OK 29 68 45 96 3.7-5.5 1.8/4349=74, 4355=52...(6) HB3 SER 9 - HA LYS 12 far 0 54 0 - 5.3-7.4 HD3 PRO 86 - HA LYS 12 far 0 50 0 - 9.8-10.9 Violated in 6 structures by 0.01 A. Peak 4183 from cnoeabs.peaks (3.98, 3.87, 59.89 ppm; 4.05 A): 3 out of 4 assignments used, quality = 0.92: HB2 SER 97 + HA LYS 94 OK 60 68 90 98 3.6-5.2 1.8/4355=82, 4349=58...(6) HA GLU 95 + HA LYS 94 OK 58 59 100 98 4.7-4.7 11014=49, ~7528=30...(16) * HB3 SER 97 + HA LYS 94 OK 55 100 55 100 3.7-5.5 4355=100, 1.8/4349=86...(7) HD3 PRO 86 - HA LYS 12 far 0 67 0 - 9.8-10.9 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 13 assignments used, quality = 0.95: HA LYS 94 + HB2 LYS 94 OK 90 90 100 100 2.2-2.6 3.0=100 * HA ARG 91 + HB2 LYS 94 OK 55 100 65 85 2.7-5.3 4196/1.8=35...(12) HA2 GLY 100 - HB2 MET 1 far 2 35 5 - 4.3-8.2 HA3 GLY 101 - HB2 MET 1 far 0 44 0 - 5.0-12.5 HA2 GLY 101 - HB2 MET 1 far 0 35 0 - 5.8-11.6 HB3 SER 49 - HB3 LYS 47 far 0 65 0 - 6.1-7.4 HA GLU 43 - HB3 LYS 47 far 0 93 0 - 6.3-7.9 HA ALA 89 - HB2 LYS 94 far 0 98 0 - 7.8-10.8 HB2 SER 102 - HB2 MET 1 far 0 44 0 - 8.1-16.8 HA TYR 41 - HB3 LYS 47 far 0 51 0 - 8.7-10.1 HA ARG 91 - HB3 LYS 20 far 0 96 0 - 8.9-13.7 HA LYS 94 - HB3 LYS 20 far 0 82 0 - 9.3-11.8 HA ALA 89 - HB3 LYS 20 far 0 91 0 - 9.6-12.9 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 7 assignments used, quality = 1.00: * H LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.2-3.5 7513=100, 7514/1.8=85...(21) H PHE 45 - HB3 LYS 47 far 0 93 0 - 5.3-6.1 H GLU 23 - HB3 LYS 20 far 0 92 0 - 5.3-5.9 H GLU 23 - HB2 LYS 94 far 0 98 0 - 8.3-10.0 H LYS 94 - HB3 LYS 20 far 0 96 0 - 8.7-11.4 H LEU 27 - HB2 LYS 94 far 0 88 0 - 9.2-10.9 H LEU 27 - HB3 LYS 20 far 0 81 0 - 9.9-10.5 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 14 assignments used, quality = 1.00: * HA LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.2-2.6 3.0=100 HA ARG 91 + HB2 LYS 94 OK 45 90 65 78 2.7-5.3 4198/1.8=28...(11) HA2 GLY 100 - HB2 MET 1 far 2 44 5 - 4.3-8.2 HA3 GLY 101 - HB2 MET 1 far 0 31 0 - 5.0-12.5 HA2 GLY 101 - HB2 MET 1 far 0 44 0 - 5.8-11.6 HB3 SER 49 - HB3 LYS 47 far 0 91 0 - 6.1-7.4 HA GLU 43 - HB3 LYS 47 far 0 85 0 - 6.3-7.9 HA ALA 22 - HB2 LYS 94 far 0 59 0 - 6.4-8.0 HA ALA 22 - HB3 LYS 20 far 0 53 0 - 7.5-8.6 HA ALA 89 - HB2 LYS 94 far 0 68 0 - 7.8-10.8 HB2 SER 102 - HB2 MET 1 far 0 30 0 - 8.1-16.8 HA ARG 91 - HB3 LYS 20 far 0 82 0 - 8.9-13.7 HA LYS 94 - HB3 LYS 20 far 0 96 0 - 9.3-11.8 HA ALA 89 - HB3 LYS 20 far 0 60 0 - 9.6-12.9 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 - 4.0-6.5 HB2 MET 21 - HB2 LYS 94 far 0 81 0 - 4.0-7.3 HB2 MET 21 - HB3 LYS 20 far 0 73 0 - 4.4-7.4 HB3 GLU 44 - HB3 LYS 47 far 0 79 0 - 4.4-6.9 HB2 GLU 44 - HB3 LYS 47 far 0 79 0 - 5.4-7.4 HB3 GLU 17 - HB3 LYS 20 far 0 89 0 - 5.4-7.7 HB2 GLU 98 - HB2 LYS 94 far 0 90 0 - 5.9-8.4 HB2 GLU 99 - HB2 MET 1 far 0 36 0 - 6.5-13.1 HG12 ILE 93 - HB2 LYS 94 far 0 96 0 - 6.7-8.1 HB3 GLU 98 - HB2 LYS 94 far 0 91 0 - 6.9-9.1 HG12 ILE 93 - HB3 LYS 20 far 0 90 0 - 6.9-10.8 HB3 GLU 99 - HB2 MET 1 far 0 40 0 - 7.2-13.4 HB2 GLN 50 - HB2 MET 1 far 0 44 0 - 7.8-11.2 HB3 GLU 48 - HB2 MET 1 far 0 33 0 - 8.5-11.8 QE MET 74 - HB3 LYS 47 far 0 81 0 - 8.5-9.8 HB3 GLU 17 - HB2 LYS 94 far 0 96 0 - 8.9-12.8 HB3 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.0-12.3 HB2 GLU 99 - HB2 LYS 94 far 0 91 0 - 9.2-12.0 HB2 GLN 50 - HB3 LYS 47 far 0 93 0 - 9.6-11.5 HB3 GLU 99 - HB2 LYS 94 far 0 96 0 - 9.6-12.3 HB3 GLU 98 - HB2 MET 1 far 0 36 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 4189 from cnoeabs.peaks (1.34, 1.92, 32.23 ppm; 3.64 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 QB ALA 25 - HB2 LYS 94 poor 15 100 35 43 4.1-5.4 10334/3.0=33, 7515/7513=14 HB3 LEU 2 - HB2 MET 1 far 0 44 0 - 5.5-7.9 QB ALA 89 - HB3 LYS 20 far 0 96 0 - 6.5-9.7 QB ALA 89 - HB2 LYS 94 far 0 100 0 - 7.1-10.1 QB ALA 25 - HB3 LYS 20 far 0 96 0 - 7.6-8.8 QB ALA 25 - HB2 MET 1 far 0 44 0 - 8.7-10.9 HB3 LEU 2 - HB3 LYS 47 far 0 92 0 - 8.7-11.5 HG LEU 14 - HB3 LYS 20 far 0 92 0 - 8.9-11.4 HB3 LEU 27 - HB2 MET 1 far 0 44 0 - 8.9-11.6 HB3 LEU 42 - HB3 LYS 47 far 0 56 0 - 9.7-10.5 HB3 LEU 27 - HB2 LYS 94 far 0 100 0 - 9.8-10.8 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 5 assignments used, quality = 1.00: * HG3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 14 - HB3 LYS 20 far 0 68 0 - 8.9-11.4 HB3 LEU 27 - HB2 MET 1 far 0 22 0 - 8.9-11.6 HG3 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.5-14.1 HB3 LEU 27 - HB2 LYS 94 far 0 63 0 - 9.8-10.8 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 11 assignments used, quality = 1.00: * HD2 LYS 94 + HB2 LYS 94 OK 98 100 100 98 2.4-3.8 3.5=73, 4235/2.9=17...(42) 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 2.1-3.6 3.5=73, 7518/7513=17...(41) HG2 ARG 19 - HB3 LYS 20 far 3 53 5 - 4.0-7.7 HG2 LYS 24 - HB3 LYS 20 far 0 55 0 - 5.2-7.4 HG2 LYS 24 - HB2 LYS 94 far 0 61 0 - 5.9-8.8 HG LEU 27 - HB2 LYS 94 far 0 84 0 - 7.7-9.3 HB3 LEU 29 - HB3 LYS 20 far 0 73 0 - 7.9-9.2 HG LEU 27 - HB2 MET 1 far 0 32 0 - 8.4-11.4 HD3 LYS 94 - HB3 LYS 20 far 0 76 0 - 9.0-13.2 HD2 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.7-12.8 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 13 assignments used, quality = 1.00: * HD3 LYS 94 + HB2 LYS 94 OK 99 100 100 99 2.1-3.6 3.5=85, 7518/7513=23...(41) HD2 LYS 94 + HB2 LYS 94 OK 83 84 100 99 2.4-3.8 3.5=85, ~4175=16...(42) 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 5 91 5 - 4.0-7.7 HG3 LYS 90 - HB3 LYS 20 far 0 90 0 - 4.7-9.4 HG3 LYS 90 - HB2 LYS 94 far 0 97 0 - 5.2-10.0 HG2 LYS 24 - HB3 LYS 20 far 0 92 0 - 5.2-7.4 HG2 LYS 24 - HB2 LYS 94 far 0 98 0 - 5.9-8.8 HG LEU 27 - HB2 LYS 94 far 0 100 0 - 7.7-9.3 HB3 LEU 29 - HB3 LYS 20 far 0 96 0 - 7.9-9.2 HG LEU 27 - HB2 MET 1 far 0 44 0 - 8.4-11.4 HD3 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.0-13.2 HD2 LYS 94 - HB3 LYS 20 far 0 76 0 - 9.7-12.8 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 13 assignments used, quality = 1.00: * HE2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.0-4.9 4.8=68, 4206/1.8=42...(45) HE3 LYS 94 + HB2 LYS 94 OK 99 99 100 100 2.1-4.7 4.8=68, 4266/1.8=33...(46) HE3 LYS 20 + HB3 LYS 20 OK 94 94 100 100 2.1-4.7 4.7=71, 6314/871=22...(100) HE2 LYS 20 + HB3 LYS 20 OK 94 94 100 100 2.3-5.0 4.7=71, 6314/871=23...(100) HG2 MET 21 + HB2 LYS 94 OK 56 92 70 87 3.8-6.4 8534/7513=45, ~12253=18...(13) HB2 ASN 51 + HB2 MET 1 OK 25 32 80 98 3.3-5.6 8005/3.0=59, ~8006=37...(15) HG2 MET 21 - HB3 LYS 20 far 13 84 15 - 4.0-7.5 HE3 LYS 90 - HB3 LYS 20 far 0 89 0 - 5.5-9.9 HE3 LYS 90 - HB2 LYS 94 far 0 96 0 - 7.4-10.5 HE2 LYS 94 - HB3 LYS 20 far 0 96 0 - 7.8-15.6 HE3 LYS 94 - HB3 LYS 20 far 0 94 0 - 8.3-15.2 HE2 LYS 20 - HB2 LYS 94 far 0 99 0 - 9.2-14.8 HE3 LYS 20 - HB2 LYS 94 far 0 100 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 4194 from cnoeabs.peaks (2.91, 1.92, 32.23 ppm; 4.21 A): 5 out of 13 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-4.7 4.8=68, 4266/1.8=33...(46) HE2 LYS 94 + HB2 LYS 94 OK 99 99 100 100 2.0-4.9 4.8=68, 4206/1.8=43...(45) HE2 LYS 20 + HB3 LYS 20 OK 96 96 100 100 2.3-5.0 4.7=71, 6313/871=23...(100) HE3 LYS 20 + HB3 LYS 20 OK 95 96 100 100 2.1-4.7 4.7=71, 6313/871=22...(100) HG2 MET 21 + HB2 LYS 94 OK 47 79 70 85 3.8-6.4 8534/7513=37, ~12253=18...(13) HB2 ASN 51 - HB2 MET 1 poor 19 24 80 - 3.3-5.6 HG2 MET 21 - HB3 LYS 20 far 11 71 15 - 4.0-7.5 HE3 LYS 90 - HB3 LYS 20 far 0 78 0 - 5.5-9.9 HE3 LYS 90 - HB2 LYS 94 far 0 85 0 - 7.4-10.5 HE2 LYS 94 - HB3 LYS 20 far 0 94 0 - 7.8-15.6 HE3 LYS 94 - HB3 LYS 20 far 0 96 0 - 8.3-15.2 HE2 LYS 20 - HB2 LYS 94 far 0 100 0 - 9.2-14.8 HE3 LYS 20 - HB2 LYS 94 far 0 100 0 - 9.8-14.7 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 3.5-4.1 7530=100, 7531/1.8=91...(14) H ILE 93 + HB2 LYS 94 OK 34 100 40 86 4.6-6.3 7498/7513=64...(8) H TYR 4 - HB2 MET 1 far 0 44 0 - 8.4-10.5 H ILE 93 - HB3 LYS 20 far 0 95 0 - 9.1-12.0 Violated in 2 structures by 0.00 A. Peak 4196 from cnoeabs.peaks (3.89, 2.02, 32.23 ppm; 3.86 A): 2 out of 10 assignments used, quality = 0.98: HA LYS 94 + HB3 LYS 94 OK 90 90 100 100 2.4-3.0 3.0=100 * HA ARG 91 + HB3 LYS 94 OK 85 100 100 85 2.5-4.7 7502/7514=31...(13) HA LYS 94 - HB2 MET 21 poor 10 42 25 - 4.2-6.8 HA3 GLY 101 - HB3 MET 1 far 2 42 5 - 4.6-12.6 HA2 GLY 100 - HB3 MET 1 far 2 34 5 - 4.7-8.8 HA ARG 91 - HB2 MET 21 far 0 53 0 - 5.3-8.5 HA2 GLY 101 - HB3 MET 1 far 0 34 0 - 5.8-11.5 HA ALA 89 - HB2 MET 21 far 0 49 0 - 6.9-8.1 HB2 SER 102 - HB3 MET 1 far 0 42 0 - 7.7-16.5 HA ALA 89 - HB3 LYS 94 far 0 98 0 - 7.8-9.8 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 6 assignments used, quality = 1.00: * H LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-3.6 7514=100, 7513/1.8=84...(24) H LYS 94 + HB2 MET 21 OK 21 53 45 87 4.0-5.6 8534/3.0=36...(13) H GLU 23 - HB2 MET 21 far 0 49 0 - 4.8-5.5 H LEU 27 - HB2 MET 21 far 0 41 0 - 7.2-9.2 H GLU 23 - HB3 LYS 94 far 0 98 0 - 8.6-10.7 H LEU 27 - HB3 LYS 94 far 0 88 0 - 9.6-11.9 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 12 assignments used, quality = 1.00: * HA LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 91 + HB3 LYS 94 OK 67 90 95 79 2.5-4.7 7512/7514=25...(13) HA ALA 22 - HB2 MET 21 poor 10 25 40 - 3.8-5.5 HA LYS 94 - HB2 MET 21 far 5 53 10 - 4.2-6.8 HA3 GLY 101 - HB3 MET 1 far 0 30 0 - 4.6-12.6 HA2 GLY 100 - HB3 MET 1 far 0 43 0 - 4.7-8.8 HA ARG 91 - HB2 MET 21 far 0 42 0 - 5.3-8.5 HA2 GLY 101 - HB3 MET 1 far 0 43 0 - 5.8-11.5 HA ALA 22 - HB3 LYS 94 far 0 59 0 - 6.7-8.8 HA ALA 89 - HB2 MET 21 far 0 29 0 - 6.9-8.1 HB2 SER 102 - HB3 MET 1 far 0 29 0 - 7.7-16.5 HA ALA 89 - HB3 LYS 94 far 0 68 0 - 7.8-9.8 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 12 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 - 4.0-7.3 HB3 LYS 20 - HB2 MET 21 far 0 49 0 - 4.4-7.4 HB2 LYS 20 - HB2 MET 21 far 0 31 0 - 4.9-6.8 HB2 GLU 17 - HB2 MET 21 far 0 44 0 - 5.0-7.5 HB3 ARG 19 - HB2 MET 21 far 0 51 0 - 6.1-8.1 HB2 ARG 19 - HB2 MET 21 far 0 34 0 - 6.5-8.1 HB2 GLU 17 - HB3 LYS 94 far 0 93 0 - 8.8-11.6 HB3 LYS 20 - HB3 LYS 94 far 0 98 0 - 9.0-12.3 HG3 GLU 88 - HB3 LYS 94 far 0 91 0 - 9.2-13.0 HB2 LYS 20 - HB3 LYS 94 far 0 71 0 - 9.4-11.9 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): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 25 - HB2 MET 21 poor 16 53 40 76 3.8-6.1 8624/4.3=36, 8554/1.8=30...(8) QB ALA 25 - HB3 LYS 94 far 5 100 5 - 4.6-6.2 QB ALA 89 - HB2 MET 21 far 0 53 0 - 4.7-7.0 HB3 LEU 2 - HB3 MET 1 far 0 42 0 - 5.7-7.9 HG2 LYS 94 - HB2 MET 21 far 0 53 0 - 6.0-8.6 QB ALA 89 - HB3 LYS 94 far 0 100 0 - 6.9-9.0 HB3 LEU 27 - HB2 MET 21 far 0 52 0 - 7.6-9.7 QB ALA 25 - HB3 MET 1 far 0 43 0 - 8.1-12.1 HG LEU 14 - HB2 MET 21 far 0 50 0 - 8.5-10.6 HB3 LEU 27 - HB3 MET 1 far 0 42 0 - 8.8-12.6 HB3 LEU 27 - HB3 LYS 94 far 0 100 0 - 9.6-11.4 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 2.3-3.0 2.9=100 HG3 LYS 94 - HB2 MET 21 far 0 53 0 - 5.4-9.2 HB3 LEU 27 - HB2 MET 21 far 0 27 0 - 7.6-9.7 HG LEU 14 - HB2 MET 21 far 0 33 0 - 8.5-10.6 HB3 LEU 27 - HB3 MET 1 far 0 21 0 - 8.8-12.6 HB3 LEU 27 - HB3 LYS 94 far 0 63 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 4203 from cnoeabs.peaks (1.62, 2.02, 32.23 ppm; 3.65 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.5-3.7 3.5=100 HD3 LYS 94 + HB3 LYS 94 OK 84 84 100 100 2.3-3.7 3.5=100 HD3 LYS 94 - HB2 MET 21 far 0 38 0 - 5.4-8.6 HG2 LYS 24 - HB2 MET 21 far 0 26 0 - 5.7-7.9 HD2 LYS 94 - HB2 MET 21 far 0 53 0 - 6.2-9.2 HB3 LEU 29 - HB2 MET 21 far 0 36 0 - 6.5-8.8 HG2 LYS 24 - HB3 LYS 94 far 0 61 0 - 6.6-10.3 HG2 ARG 19 - HB2 MET 21 far 0 25 0 - 6.8-8.7 HG LEU 27 - HB2 MET 21 far 0 38 0 - 7.0-9.0 HG LEU 27 - HB3 LYS 94 far 0 84 0 - 7.9-9.9 HG LEU 27 - HB3 MET 1 far 0 31 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 4204 from cnoeabs.peaks (1.60, 2.02, 32.23 ppm; 3.67 A): 2 out of 14 assignments used, quality = 1.00: * HD3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.3-3.7 3.5=100 HD2 LYS 94 + HB3 LYS 94 OK 84 84 100 100 2.5-3.7 3.5=100 HG3 LYS 90 - HB2 MET 21 poor 12 48 25 - 4.1-7.2 HD3 LYS 94 - HB2 MET 21 far 0 53 0 - 5.4-8.6 HG2 LYS 24 - HB2 MET 21 far 0 49 0 - 5.7-7.9 HG3 LYS 90 - HB3 LYS 94 far 0 97 0 - 5.7-8.9 HD2 LYS 94 - HB2 MET 21 far 0 38 0 - 6.2-9.2 HB3 LEU 29 - HB2 MET 21 far 0 53 0 - 6.5-8.8 HG2 LYS 24 - HB3 LYS 94 far 0 98 0 - 6.6-10.3 HG2 ARG 19 - HB2 MET 21 far 0 49 0 - 6.8-8.7 HG LEU 27 - HB2 MET 21 far 0 53 0 - 7.0-9.0 HG LEU 27 - HB3 LYS 94 far 0 100 0 - 7.9-9.9 HG LEU 27 - HB3 MET 1 far 0 43 0 - 8.3-12.3 HB3 GLU 28 - HB3 MET 1 far 0 23 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 4205 from cnoeabs.peaks (2.92, 2.02, 32.23 ppm; 3.77 A): 3 out of 11 assignments used, quality = 1.00: * HE2 LYS 94 + HB3 LYS 94 OK 99 100 100 99 2.2-4.7 4.8=49, 1.8/4266=27...(55) HE3 LYS 94 + HB3 LYS 94 OK 64 99 65 99 3.0-5.0 4.8=49, 1.8/4266=26...(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 poor 18 31 60 - 2.4-6.0 HG2 MET 21 - HB3 LYS 94 poor 18 92 25 80 3.9-6.5 8534/7514=36, 3.4/995=14...(14) HE3 LYS 90 - HB2 MET 21 far 2 47 5 - 4.1-8.8 HE2 LYS 94 - HB2 MET 21 far 0 53 0 - 5.1-10.7 HE3 LYS 94 - HB2 MET 21 far 0 51 0 - 5.8-10.8 HE3 LYS 20 - HB2 MET 21 far 0 51 0 - 5.9-9.9 HE2 LYS 20 - HB2 MET 21 far 0 51 0 - 6.0-9.4 HE3 LYS 90 - HB3 LYS 94 far 0 96 0 - 7.1-11.0 Violated in 0 structures by 0.00 A. Peak 4206 from cnoeabs.peaks (2.91, 2.02, 32.23 ppm; 3.77 A): 3 out of 11 assignments used, quality = 1.00: HE2 LYS 94 + HB3 LYS 94 OK 98 99 100 99 2.2-4.7 4.8=49, 1.8/4266=27...(55) * HE3 LYS 94 + HB3 LYS 94 OK 65 100 65 99 3.0-5.0 4.8=49, 1.8/4266=26...(57) HG2 MET 21 + HB2 MET 21 OK 35 35 100 100 2.3-3.0 3.0=100 HG2 MET 21 - HB3 LYS 94 poor 20 79 25 - 3.9-6.5 HB2 ASN 51 - HB3 MET 1 poor 14 23 60 - 2.4-6.0 HE3 LYS 90 - HB2 MET 21 far 2 39 5 - 4.1-8.8 HE2 LYS 94 - HB2 MET 21 far 0 51 0 - 5.1-10.7 HE3 LYS 94 - HB2 MET 21 far 0 53 0 - 5.8-10.8 HE3 LYS 20 - HB2 MET 21 far 0 53 0 - 5.9-9.9 HE2 LYS 20 - HB2 MET 21 far 0 53 0 - 6.0-9.4 HE3 LYS 90 - HB3 LYS 94 far 0 85 0 - 7.1-11.0 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (8.36, 2.02, 32.23 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 95 + HB3 LYS 94 OK 100 100 100 100 2.4-3.9 7531=100, 7530/1.8=79...(16) H ILE 93 + HB3 LYS 94 OK 47 100 55 86 4.4-6.2 7498/7514=60...(12) H ILE 93 - HB2 MET 21 poor 16 52 40 75 4.5-6.2 3922/9948=29...(6) H GLU 95 - HB2 MET 21 far 0 53 0 - 6.5-8.4 H TYR 4 - HB3 MET 1 far 0 43 0 - 8.8-10.5 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 2.4-4.6 4.9=96, 7513/2.9=94...(26) H PHE 45 - HG3 LYS 40 far 0 80 0 - 7.2-9.0 H GLU 23 - HG2 LYS 94 far 0 98 0 - 9.8-11.8 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 8 assignments used, quality = 1.00: * HA LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.6-3.8 3.7=99, 4175/1.8=77...(27) HA LYS 40 + HG3 LYS 40 OK 81 81 100 100 2.1-3.7 3.8=95, 2.9/6622=58...(22) HA ARG 91 + HG2 LYS 94 OK 29 90 40 81 2.1-5.3 4198/2.9=24, 4186/2.9=19...(15) HA LEU 38 - HG3 LYS 40 far 0 79 0 - 5.7-8.4 HA GLU 43 - HG3 LYS 40 far 0 72 0 - 6.9-8.3 HA ALA 89 - HG2 LYS 94 far 0 68 0 - 7.3-11.3 HA ALA 22 - HG2 LYS 94 far 0 59 0 - 7.7-9.4 HA GLU 35 - HG3 LYS 40 far 0 68 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 4210 from cnoeabs.peaks (1.92, 1.34, 24.57 ppm; 4.08 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 40 far 0 73 0 - 5.6-7.8 HG LEU 42 - HG3 LYS 40 far 0 61 0 - 6.8-8.9 HB VAL 32 - HG3 LYS 40 far 0 71 0 - 8.3-11.9 HB3 ARG 46 - HG3 LYS 40 far 0 44 0 - 9.6-12.6 HB3 LYS 33 - HG3 LYS 40 far 0 79 0 - 9.7-14.3 HB2 LYS 20 - HG2 LYS 94 far 0 71 0 - 10.0-12.8 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 11 assignments used, quality = 1.00: * HB3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLU 98 - HG2 LYS 94 poor 18 90 20 - 4.6-6.8 HB2 GLU 44 - HG3 LYS 40 far 0 67 0 - 4.9-7.9 HB3 GLU 44 - HG3 LYS 40 far 0 67 0 - 5.5-8.4 HB3 GLU 98 - HG2 LYS 94 far 0 91 0 - 5.9-8.4 HB2 MET 21 - HG2 LYS 94 far 0 81 0 - 6.0-8.6 QE MET 74 - HG3 LYS 40 far 0 68 0 - 6.2-7.1 HG12 ILE 93 - HG2 LYS 94 far 0 96 0 - 6.4-9.5 HB2 GLU 99 - HG2 LYS 94 far 0 91 0 - 7.7-10.9 HB3 GLU 99 - HG2 LYS 94 far 0 96 0 - 8.5-11.5 HB2 GLU 35 - HG3 LYS 40 far 0 74 0 - 9.8-12.0 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 4 assignments used, quality = 1.00: * HG3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 30 - HG3 LYS 40 far 0 78 0 - 6.6-11.3 HG2 LYS 39 - HG3 LYS 40 far 0 46 0 - 6.6-8.9 QB ALA 71 - HG3 LYS 40 far 0 55 0 - 9.9-11.9 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 2.2-3.0 3.0=100 HD3 LYS 94 + HG2 LYS 94 OK 84 84 100 100 2.2-3.0 3.0=100 HB2 LYS 40 + HG3 LYS 40 OK 67 67 100 100 2.3-2.7 2.9=100 HB2 ARG 30 - HG3 LYS 40 far 0 68 0 - 6.5-10.6 HD3 LYS 39 - HG3 LYS 40 far 0 72 0 - 7.4-10.3 HD2 LYS 39 - HG3 LYS 40 far 0 55 0 - 7.6-10.6 HG2 LYS 24 - HG2 LYS 94 far 0 61 0 - 7.8-11.3 HB3 LEU 6 - HG3 LYS 40 far 0 64 0 - 8.4-13.2 HG LEU 27 - HG2 LYS 94 far 0 84 0 - 8.4-10.2 HG3 LYS 47 - HG3 LYS 40 far 0 81 0 - 9.8-12.4 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 7 assignments used, quality = 1.00: * HD3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HG2 LYS 94 OK 84 84 100 100 2.2-3.0 3.0=100 HB2 ARG 30 - HG3 LYS 40 far 0 80 0 - 6.5-10.6 HG3 LYS 90 - HG2 LYS 94 far 0 97 0 - 7.1-10.4 HG2 LYS 24 - HG2 LYS 94 far 0 98 0 - 7.8-11.3 HG LEU 27 - HG2 LYS 94 far 0 100 0 - 8.4-10.2 HG3 LYS 47 - HG3 LYS 40 far 0 64 0 - 9.8-12.4 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 2.1-4.1 3.9=100 HE3 LYS 94 + HG2 LYS 94 OK 99 99 100 100 2.4-4.2 3.9=100 HG2 MET 21 - HG2 LYS 94 far 0 92 0 - 6.0-7.6 HE3 LYS 90 - HG2 LYS 94 far 0 96 0 - 9.0-11.8 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 2.4-4.2 3.9=100 HE2 LYS 94 + HG2 LYS 94 OK 99 99 100 100 2.1-4.1 3.9=100 HG2 MET 21 - HG2 LYS 94 far 0 79 0 - 6.0-7.6 HE3 LYS 39 - HG3 LYS 40 far 0 49 0 - 7.3-11.5 HE3 LYS 90 - HG2 LYS 94 far 0 85 0 - 9.0-11.8 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 2.0-4.4 4.9=100 H ILE 93 + HG2 LYS 94 OK 38 100 40 94 4.0-7.2 7498/4208=63...(11) 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 4 assignments used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 100 100 100 100 3.6-4.4 7516=100, 7513/2.9=93...(21) H PHE 45 - HG3 LYS 40 far 0 76 0 - 7.2-9.0 H GLU 23 - HG3 LYS 94 far 0 98 0 - 8.5-12.2 H LEU 27 - HG3 LYS 94 far 0 88 0 - 9.2-12.2 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 8 assignments used, quality = 1.00: * HA LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.2-3.7 4175=99, 3.0/7516=45...(23) HA LYS 40 + HG3 LYS 40 OK 76 76 100 100 2.1-3.7 3.8=86, 2.9/6632=46...(22) HA ARG 91 + HG3 LYS 94 OK 34 90 50 76 3.3-5.8 4198/2.9=22, 4186/2.9=18...(12) HA LEU 38 - HG3 LYS 40 far 0 74 0 - 5.7-8.4 HA ALA 22 - HG3 LYS 94 far 0 59 0 - 6.7-9.8 HA GLU 43 - HG3 LYS 40 far 0 68 0 - 6.9-8.3 HA GLU 35 - HG3 LYS 40 far 0 64 0 - 8.9-10.7 HA ALA 89 - HG3 LYS 94 far 0 68 0 - 8.9-11.2 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 8 assignments used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 40 far 0 69 0 - 5.6-7.8 HG LEU 42 - HG3 LYS 40 far 0 57 0 - 6.8-8.9 HB VAL 32 - HG3 LYS 40 far 0 67 0 - 8.3-11.9 HB3 LYS 20 - HG3 LYS 94 far 0 98 0 - 9.5-14.1 HB3 ARG 46 - HG3 LYS 40 far 0 41 0 - 9.6-12.6 HB3 LYS 33 - HG3 LYS 40 far 0 75 0 - 9.7-14.3 HG3 GLU 88 - HG3 LYS 94 far 0 91 0 - 10.0-14.4 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 2.3-3.0 2.9=100 HB2 GLU 98 - HG3 LYS 94 far 9 90 10 - 4.4-6.9 HB2 GLU 44 - HG3 LYS 40 far 0 62 0 - 4.9-7.9 HB2 MET 21 - HG3 LYS 94 far 0 81 0 - 5.4-9.2 HB3 GLU 44 - HG3 LYS 40 far 0 62 0 - 5.5-8.4 HB3 GLU 98 - HG3 LYS 94 far 0 91 0 - 5.5-7.6 QE MET 74 - HG3 LYS 40 far 0 64 0 - 6.2-7.1 HB2 GLU 99 - HG3 LYS 94 far 0 91 0 - 7.7-11.7 HG12 ILE 93 - HG3 LYS 94 far 0 96 0 - 7.7-9.5 HB3 GLU 99 - HG3 LYS 94 far 0 96 0 - 7.9-11.9 HB2 GLU 35 - HG3 LYS 40 far 0 70 0 - 9.8-12.0 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 0 100 0 - 3.8-6.4 HB3 ARG 30 - HG3 LYS 40 far 0 49 0 - 6.6-11.3 HG2 LYS 39 - HG3 LYS 40 far 0 75 0 - 6.6-8.9 HB3 LEU 42 - HG3 LYS 40 far 0 43 0 - 8.1-9.1 QB ALA 89 - HG3 LYS 94 far 0 100 0 - 8.5-10.4 QB ALA 67 - HG3 LYS 40 far 0 76 0 - 9.9-12.6 HB3 LEU 27 - HG3 LYS 94 far 0 100 0 - 9.9-11.9 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 2.3-3.0 3.0=100 HD3 LYS 94 + HG3 LYS 94 OK 84 84 100 100 2.5-3.0 3.0=100 HB2 LYS 40 + HG3 LYS 40 OK 62 62 100 100 2.3-2.7 2.9=100 HB2 ARG 30 - HG3 LYS 40 far 0 64 0 - 6.5-10.6 HG2 LYS 24 - HG3 LYS 94 far 0 61 0 - 6.5-11.5 HD3 LYS 39 - HG3 LYS 40 far 0 68 0 - 7.4-10.3 HG LEU 27 - HG3 LYS 94 far 0 84 0 - 7.5-10.5 HD2 LYS 39 - HG3 LYS 40 far 0 52 0 - 7.6-10.6 HB3 LEU 6 - HG3 LYS 40 far 0 60 0 - 8.4-13.2 HG3 LYS 47 - HG3 LYS 40 far 0 76 0 - 9.8-12.4 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 7 assignments used, quality = 1.00: * HD3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 94 + HG3 LYS 94 OK 84 84 100 100 2.3-3.0 3.0=100 HB2 ARG 30 - HG3 LYS 40 far 0 76 0 - 6.5-10.6 HG2 LYS 24 - HG3 LYS 94 far 0 98 0 - 6.5-11.5 HG3 LYS 90 - HG3 LYS 94 far 0 97 0 - 7.4-10.5 HG LEU 27 - HG3 LYS 94 far 0 100 0 - 7.5-10.5 HG3 LYS 47 - HG3 LYS 40 far 0 60 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 4227 from cnoeabs.peaks (2.92, 1.38, 24.57 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.0-3.7 3.9=100 HE3 LYS 94 + HG3 LYS 94 OK 99 99 100 100 2.4-4.2 3.9=100 HG2 MET 21 - HG3 LYS 94 far 0 92 0 - 5.9-8.0 HE3 LYS 90 - HG3 LYS 94 far 0 96 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 4228 from cnoeabs.peaks (2.91, 1.38, 24.57 ppm; 4.19 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.4-4.2 3.9=100 HE2 LYS 94 + HG3 LYS 94 OK 99 99 100 100 2.0-3.7 3.9=100 HG2 MET 21 - HG3 LYS 94 far 0 79 0 - 5.9-8.0 HE3 LYS 39 - HG3 LYS 40 far 0 46 0 - 7.3-11.5 HE3 LYS 90 - HG3 LYS 94 far 0 85 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (8.36, 1.38, 24.57 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HG3 LYS 94 OK 100 100 100 100 2.4-4.7 4.9=100 H ILE 93 - HG3 LYS 94 far 5 100 5 - 5.5-7.0 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 8 assignments used, quality = 1.00: * H LYS 94 + HD2 LYS 94 OK 100 100 100 100 4.1-5.8 7513/3.5=95, 7514/3.5=95...(22) H LYS 94 + HD3 LYS 94 OK 68 68 100 100 3.9-4.7 7513/3.5=95, 7514/3.5=95...(22) H ALA 71 - HD3 LYS 68 far 6 58 10 - 6.0-8.4 H ALA 71 - HD2 LYS 68 far 6 56 10 - 5.2-8.7 H ALA 71 - HD2 LYS 39 far 3 57 5 - 6.3-8.8 H ALA 71 - HD3 LYS 39 far 0 88 0 - 7.2-9.5 H GLU 23 - HD3 LYS 94 far 0 64 0 - 8.9-12.0 H PHE 45 - HD3 LYS 39 far 0 88 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 4231 from cnoeabs.peaks (3.87, 1.62, 29.36 ppm; 4.29 A): 4 out of 24 assignments used, quality = 0.98: * HA LYS 94 + HD2 LYS 94 OK 70 100 70 100 4.5-5.5 4175/3.0=74, 4.7=74...(45) HA ARG 91 + HD2 LYS 94 OK 67 90 100 75 2.7-5.1 4198/3.5=27, 4186/3.5=21...(11) HA LYS 94 + HD3 LYS 94 OK 61 68 90 100 4.1-5.5 4175/3.0=74, 4.7=74...(46) HA ARG 91 + HD3 LYS 94 OK 41 55 100 74 2.0-4.0 4198/3.5=27, 4186/3.5=21...(12) HA LYS 40 - HD2 LYS 39 far 3 57 5 - 5.1-7.8 HA ALA 71 - HD2 LYS 39 far 0 48 0 - 5.6-8.9 HA LYS 40 - HD3 LYS 39 far 0 89 0 - 5.8-7.3 HA GLU 35 - HD3 LYS 39 far 0 75 0 - 5.9-9.0 HA GLU 35 - HD2 LYS 39 far 0 47 0 - 6.0-9.0 HA ALA 71 - HD3 LYS 39 far 0 77 0 - 6.2-9.6 HA GLU 43 - HD3 LYS 39 far 0 80 0 - 6.5-9.1 HA ALA 71 - HD2 LYS 68 far 0 46 0 - 6.6-11.1 HA ALA 67 - HD3 LYS 68 far 0 55 0 - 6.7-8.1 HA ALA 67 - HD2 LYS 68 far 0 52 0 - 7.0-8.3 HA ALA 71 - HD3 LYS 68 far 0 49 0 - 7.1-10.6 HA GLU 43 - HD2 LYS 39 far 0 50 0 - 7.2-9.6 HA ALA 67 - HD2 LYS 39 far 0 54 0 - 7.5-9.7 HA LEU 38 - HD2 LYS 39 far 0 56 0 - 7.8-8.8 HA ALA 22 - HD3 LYS 94 far 0 33 0 - 7.8-10.0 HA LEU 38 - HD3 LYS 39 far 0 87 0 - 7.9-8.9 HA ALA 67 - HD3 LYS 39 far 0 84 0 - 8.1-9.9 HA ALA 89 - HD3 LYS 94 far 0 39 0 - 8.3-10.1 HA ALA 89 - HD2 LYS 94 far 0 68 0 - 8.7-11.6 HA ALA 22 - HD2 LYS 94 far 0 59 0 - 8.8-10.8 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 21 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.8 3.5=100 HB2 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.1-3.6 3.5=100 HB3 LYS 73 - HD2 LYS 39 far 2 33 5 - 4.4-9.0 HB2 LYS 73 - HD2 LYS 39 far 2 32 5 - 4.5-8.8 HB3 LYS 73 - HD3 LYS 39 far 0 55 0 - 5.7-8.9 HB2 LYS 73 - HD3 LYS 39 far 0 54 0 - 5.8-9.0 HB2 GLU 43 - HD3 LYS 39 far 0 81 0 - 6.7-9.8 HG LEU 42 - HD3 LYS 39 far 0 69 0 - 6.9-8.3 HG LEU 42 - HD2 LYS 39 far 0 42 0 - 7.2-8.5 HB2 GLU 43 - HD2 LYS 39 far 0 51 0 - 7.2-10.0 HB2 GLU 17 - HD3 LYS 94 far 0 58 0 - 8.3-10.8 HB2 LYS 73 - HD2 LYS 68 far 0 31 0 - 8.4-11.3 HB3 LYS 20 - HD3 LYS 94 far 0 64 0 - 9.0-13.2 HB3 ARG 46 - HD3 LYS 39 far 0 50 0 - 9.1-12.2 HB2 LYS 20 - HD2 LYS 94 far 0 71 0 - 9.1-13.0 HB3 ARG 46 - HD2 LYS 39 far 0 29 0 - 9.3-13.0 HB2 LYS 20 - HD3 LYS 94 far 0 41 0 - 9.3-12.5 HB VAL 54 - HD3 LYS 68 far 0 30 0 - 9.4-13.4 HB2 GLU 17 - HD2 LYS 94 far 0 93 0 - 9.7-12.5 HB3 LYS 20 - HD2 LYS 94 far 0 98 0 - 9.7-12.8 HB2 LYS 73 - HD3 LYS 68 far 0 33 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (2.02, 1.62, 29.36 ppm; 3.73 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.5-3.7 3.5=100 QE MET 74 + HD3 LYS 39 OK 72 75 100 95 2.4-4.6 12072/3.0=41...(17) HB3 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.3-3.7 3.5=100 QE MET 74 + HD2 LYS 39 OK 38 47 85 95 2.6-4.9 12072/3.0=41...(16) HB2 GLU 35 - HD2 LYS 39 far 0 52 0 - 5.2-9.7 HB2 MET 21 - HD3 LYS 94 far 0 48 0 - 5.4-8.6 HB2 GLU 35 - HD3 LYS 39 far 0 82 0 - 5.8-9.7 HB2 MET 21 - HD2 LYS 94 far 0 81 0 - 6.2-9.2 HB2 GLU 98 - HD2 LYS 94 far 0 90 0 - 6.4-8.2 HB2 GLU 98 - HD3 LYS 94 far 0 55 0 - 7.4-9.1 HB3 GLU 98 - HD2 LYS 94 far 0 91 0 - 7.4-9.4 HG12 ILE 93 - HD3 LYS 94 far 0 62 0 - 7.8-9.6 HG12 ILE 93 - HD2 LYS 94 far 0 96 0 - 8.2-10.9 HB3 GLU 98 - HD3 LYS 94 far 0 56 0 - 8.5-9.7 HB2 GLU 62 - HD3 LYS 68 far 0 57 0 - 9.3-13.7 HB2 GLU 99 - HD2 LYS 94 far 0 91 0 - 9.5-12.8 HB3 GLU 17 - HD3 LYS 94 far 0 61 0 - 9.5-12.2 HB2 GLU 62 - HD2 LYS 68 far 0 55 0 - 9.5-13.6 HB2 GLU 99 - HD3 LYS 94 far 0 56 0 - 10.0-13.4 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 24 assignments used, quality = 1.00: * HG2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.2-3.0 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 2.2-3.0 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 2.2-3.0 3.0=100 HG3 LYS 68 + HD2 LYS 68 OK 54 54 100 100 2.3-2.9 3.0=100 HB2 LEU 70 - HD2 LYS 39 far 0 37 0 - 4.0-7.0 QB ALA 67 - HD3 LYS 68 far 0 58 0 - 4.3-6.5 HB2 LEU 70 - HD3 LYS 39 far 0 62 0 - 4.7-7.5 QB ALA 67 - HD2 LYS 68 far 0 56 0 - 5.3-6.6 QB ALA 25 - HD3 LYS 94 far 0 68 0 - 5.5-7.9 HB3 LEU 42 - HD3 LYS 39 far 0 52 0 - 5.8-7.8 HB2 LYS 82 - HD3 LYS 68 far 0 58 0 - 5.9-9.4 QB ALA 25 - HD2 LYS 94 far 0 100 0 - 6.1-7.5 HB3 LEU 42 - HD2 LYS 39 far 0 31 0 - 6.2-8.3 HB2 LEU 70 - HD2 LYS 68 far 0 36 0 - 7.3-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 77 0 - 7.4-10.3 QB ALA 89 - HD3 LYS 94 far 0 68 0 - 7.4-9.3 HB2 LYS 82 - HD2 LYS 68 far 0 56 0 - 7.5-10.1 HG3 LYS 40 - HD2 LYS 39 far 0 48 0 - 7.6-10.6 QB ALA 89 - HD2 LYS 94 far 0 100 0 - 7.8-10.7 HB2 LEU 70 - HD3 LYS 68 far 0 38 0 - 8.0-10.7 QB ALA 67 - HD2 LYS 39 far 0 57 0 - 8.1-10.0 QB ALA 67 - HD3 LYS 39 far 0 89 0 - 8.6-10.2 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 18 assignments used, quality = 1.00: * HG3 LYS 94 + HD2 LYS 94 OK 99 100 100 99 2.3-3.0 3.0=95, 4175/4.7=20...(37) HG3 LYS 94 + HD3 LYS 94 OK 68 68 100 99 2.5-3.0 3.0=95, 4175/4.7=20...(36) HG2 LYS 39 + HD3 LYS 39 OK 52 52 100 100 2.2-3.0 3.0=96, 1.8/1720=36...(74) HG3 LYS 68 + HD3 LYS 68 OK 36 36 100 100 2.2-3.0 3.0=96, 3038/1.8=11...(79) HG3 LYS 68 + HD2 LYS 68 OK 34 34 100 100 2.3-2.9 3.0=96, 3038/1.8=11...(77) HG2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.2-3.0 3.0=96, 1.8/1720=35...(70) QB ALA 71 - HD2 LYS 68 far 4 36 10 - 3.6-8.0 QB ALA 71 - HD3 LYS 68 far 0 38 0 - 3.9-7.3 HB2 LEU 70 - HD2 LYS 39 far 0 54 0 - 4.0-7.0 HB2 LEU 70 - HD3 LYS 39 far 0 84 0 - 4.7-7.5 HB2 LYS 82 - HD3 LYS 68 far 0 29 0 - 5.9-9.4 QB ALA 71 - HD2 LYS 39 far 0 37 0 - 6.4-8.9 QB ALA 71 - HD3 LYS 39 far 0 62 0 - 6.9-9.7 HB2 LEU 70 - HD2 LYS 68 far 0 52 0 - 7.3-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 74 0 - 7.4-10.3 HB2 LYS 82 - HD2 LYS 68 far 0 28 0 - 7.5-10.1 HG3 LYS 40 - HD2 LYS 39 far 0 46 0 - 7.6-10.6 HB2 LEU 70 - HD3 LYS 68 far 0 55 0 - 8.0-10.7 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): 8 out of 28 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 2.3-3.0 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 66 66 100 100 2.3-3.0 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...(75) HE3 LYS 68 + HD3 LYS 68 OK 55 55 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(75) HE2 LYS 68 + HD2 LYS 68 OK 53 54 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(75) HE3 LYS 68 + HD2 LYS 68 OK 52 52 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(75) HE2 LYS 73 - HD2 LYS 39 far 5 36 15 - 2.5-10.1 HE3 LYS 73 - HD3 LYS 39 far 3 69 5 - 3.2-10.4 HE2 LYS 73 - HD3 LYS 39 far 3 61 5 - 3.4-10.1 HE3 LYS 73 - HD2 LYS 39 far 0 42 0 - 4.0-10.2 HG2 MET 21 - HD3 LYS 94 far 0 57 0 - 4.6-6.8 HG2 MET 21 - HD2 LYS 94 far 0 92 0 - 5.2-8.0 HE3 LYS 90 - HD3 LYS 94 far 0 61 0 - 6.3-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 96 0 - 7.7-11.2 HE2 LYS 66 - HD2 LYS 68 far 0 42 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 47 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 78 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 48 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 44 0 - 8.8-13.0 HE2 LYS 20 - HD3 LYS 94 far 0 66 0 - 8.9-15.1 HE3 LYS 66 - HD3 LYS 68 far 0 50 0 - 9.1-12.4 HE3 LYS 20 - HD3 LYS 94 far 0 67 0 - 9.3-15.7 HE2 LYS 66 - HD2 LYS 39 far 0 43 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 70 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 40 0 - 9.6-14.6 HE3 LYS 73 - HD2 LYS 68 far 0 41 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 4239 from cnoeabs.peaks (2.91, 1.62, 29.36 ppm; 2.96 A): 10 out of 28 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 2.3-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 66 66 100 100 2.3-3.0 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...(76) HE3 LYS 68 + HD3 LYS 68 OK 58 58 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(76) HE2 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(75) HE3 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(75) HE3 LYS 39 + HD3 LYS 39 OK 55 55 100 100 2.2-3.0 3.0=98, 3.5/1720=20...(35) HE3 LYS 39 + HD2 LYS 39 OK 33 33 100 100 2.2-3.0 3.0=98, 3.5/1720=19...(34) HE3 LYS 73 - HD3 LYS 39 far 3 54 5 - 3.2-10.4 HE3 LYS 73 - HD2 LYS 39 far 0 32 0 - 4.0-10.2 HG2 MET 21 - HD3 LYS 94 far 0 47 0 - 4.6-6.8 HG2 MET 21 - HD2 LYS 94 far 0 79 0 - 5.2-8.0 HE3 LYS 90 - HD3 LYS 94 far 0 52 0 - 6.3-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 85 0 - 7.7-11.2 HE2 LYS 66 - HD2 LYS 68 far 0 50 0 - 7.9-12.2 HE3 LYS 66 - HD2 LYS 68 far 0 54 0 - 7.9-11.7 HE3 LYS 66 - HD3 LYS 39 far 0 86 0 - 8.5-13.0 HE3 LYS 66 - HD2 LYS 39 far 0 55 0 - 8.7-12.8 HE2 LYS 66 - HD3 LYS 68 far 0 52 0 - 8.8-13.0 HE2 LYS 20 - HD3 LYS 94 far 0 68 0 - 8.9-15.1 HE3 LYS 66 - HD3 LYS 68 far 0 56 0 - 9.1-12.4 HE3 LYS 20 - HD3 LYS 94 far 0 68 0 - 9.3-15.7 HE2 LYS 66 - HD2 LYS 39 far 0 51 0 - 9.5-12.2 HE2 LYS 66 - HD3 LYS 39 far 0 81 0 - 9.6-12.8 HB2 ASN 60 - HD3 LYS 68 far 0 50 0 - 9.6-14.6 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 4240 from cnoeabs.peaks (8.36, 1.62, 29.36 ppm; 5.83 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 95 + HD2 LYS 94 OK 100 100 100 100 4.4-5.7 7531/3.5=97, 7530/3.5=94...(17) H GLU 95 + HD3 LYS 94 OK 68 68 100 100 4.4-5.4 7531/3.5=97, 7530/3.5=94...(16) H ILE 93 + HD3 LYS 94 OK 47 68 75 92 5.8-6.9 7498/6.3=59, 4180/4.7=35...(9) H ILE 93 - HD2 LYS 94 far 5 100 5 - 6.0-8.3 H GLU 63 - HD3 LYS 68 far 0 45 0 - 7.8-11.7 H GLU 63 - HD2 LYS 68 far 0 43 0 - 8.4-11.9 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 3 assignments used, quality = 1.00: * H LYS 94 + HD3 LYS 94 OK 100 100 100 100 3.9-4.7 7513/3.5=98, 7514/3.5=98...(22) H LYS 94 + HD2 LYS 94 OK 68 68 100 100 4.1-5.8 7513/3.5=98, 7514/3.5=98...(21) H GLU 23 - HD3 LYS 94 far 0 98 0 - 8.9-12.0 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 95 100 95 100 4.1-5.5 4.7=84, 4175/3.0=78...(46) HA ARG 91 + HD3 LYS 94 OK 72 90 100 80 2.0-4.0 4198/3.5=28, 4186/3.5=23...(12) HA LYS 94 + HD2 LYS 94 OK 55 68 80 100 4.5-5.5 4.7=84, 4175/3.0=78...(45) HA ARG 91 + HD2 LYS 94 OK 42 55 100 76 2.7-5.1 4198/3.5=28, 4186/3.5=23...(10) HA ALA 22 - HD3 LYS 94 far 0 59 0 - 7.8-10.0 HA ALA 89 - HD3 LYS 94 far 0 68 0 - 8.3-10.1 HA ALA 89 - HD2 LYS 94 far 0 39 0 - 8.7-11.6 HA ALA 22 - HD2 LYS 94 far 0 33 0 - 8.8-10.8 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 2.1-3.6 3.5=100 HB2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.4-3.8 3.5=100 HB2 GLU 17 - HD3 LYS 94 far 0 93 0 - 8.3-10.8 HB3 LYS 20 - HD3 LYS 94 far 0 98 0 - 9.0-13.2 HB2 LYS 20 - HD2 LYS 94 far 0 41 0 - 9.1-13.0 HB2 LYS 20 - HD3 LYS 94 far 0 71 0 - 9.3-12.5 HB2 GLU 17 - HD2 LYS 94 far 0 58 0 - 9.7-12.5 HB3 LYS 20 - HD2 LYS 94 far 0 64 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 4244 from cnoeabs.peaks (2.02, 1.60, 29.36 ppm; 4.04 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.7 3.5=100 HB3 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.5-3.7 3.5=100 HB2 MET 21 - HD3 LYS 94 far 0 81 0 - 5.4-8.6 HB2 MET 21 - HD2 LYS 94 far 0 48 0 - 6.2-9.2 HB2 GLU 98 - HD2 LYS 94 far 0 55 0 - 6.4-8.2 HB2 GLU 98 - HD3 LYS 94 far 0 90 0 - 7.4-9.1 HB3 GLU 98 - HD2 LYS 94 far 0 56 0 - 7.4-9.4 HG12 ILE 93 - HD3 LYS 94 far 0 96 0 - 7.8-9.6 HG12 ILE 93 - HD2 LYS 94 far 0 62 0 - 8.2-10.9 HB3 GLU 98 - HD3 LYS 94 far 0 91 0 - 8.5-9.7 HB2 GLU 99 - HD2 LYS 94 far 0 56 0 - 9.5-12.8 HB3 GLU 17 - HD3 LYS 94 far 0 96 0 - 9.5-12.2 HB2 GLU 99 - HD3 LYS 94 far 0 91 0 - 10.0-13.4 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 6 assignments used, quality = 1.00: * HG2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.2-3.0 3.0=100 QB ALA 25 - HD3 LYS 94 far 0 100 0 - 5.5-7.9 QB ALA 25 - HD2 LYS 94 far 0 68 0 - 6.1-7.5 QB ALA 89 - HD3 LYS 94 far 0 100 0 - 7.4-9.3 QB ALA 89 - HD2 LYS 94 far 0 68 0 - 7.8-10.7 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 2 assignments used, quality = 1.00: * HG3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.3-3.0 3.0=100 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): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 99 99 100 100 2.3-3.0 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 far 0 92 0 - 4.6-6.8 HG2 MET 21 - HD2 LYS 94 far 0 57 0 - 5.2-8.0 HE3 LYS 90 - HD3 LYS 94 far 0 96 0 - 6.3-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 61 0 - 7.7-11.2 HE2 LYS 20 - HD3 LYS 94 far 0 99 0 - 8.9-15.1 HE3 LYS 20 - HD3 LYS 94 far 0 100 0 - 9.3-15.7 Violated in 0 structures by 0.00 A. Peak 4250 from cnoeabs.peaks (2.91, 1.60, 29.36 ppm; 3.31 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 99 99 100 100 2.3-3.0 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 far 0 79 0 - 4.6-6.8 HG2 MET 21 - HD2 LYS 94 far 0 47 0 - 5.2-8.0 HE3 LYS 90 - HD3 LYS 94 far 0 85 0 - 6.3-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 52 0 - 7.7-11.2 HE2 LYS 20 - HD3 LYS 94 far 0 100 0 - 8.9-15.1 HE3 LYS 20 - HD3 LYS 94 far 0 100 0 - 9.3-15.7 Violated in 0 structures by 0.00 A. Peak 4251 from cnoeabs.peaks (8.36, 1.60, 29.36 ppm; 5.74 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 95 + HD3 LYS 94 OK 100 100 100 100 4.4-5.4 7531/3.5=96, 7530/3.5=93...(16) H GLU 95 + HD2 LYS 94 OK 68 68 100 100 4.4-5.7 7531/3.5=96, 7530/3.5=93...(16) H ILE 93 + HD3 LYS 94 OK 51 100 55 93 5.8-6.9 7498/7518=58...(9) H ILE 93 - HD2 LYS 94 far 3 68 5 - 6.0-8.3 Violated in 0 structures by 0.00 A. Peak 4253 from cnoeabs.peaks (3.87, 2.92, 41.80 ppm; 6.14 A): 5 out of 35 assignments used, quality = 1.00: * HA LYS 94 + HE2 LYS 94 OK 100 100 100 100 3.6-6.7 6.0=100 HA LYS 94 + HE3 LYS 94 OK 98 98 100 100 4.3-6.5 6.0=100 HA ARG 91 + HE2 LYS 94 OK 83 90 100 93 3.0-6.6 4198/4.8=34, 4186/4.8=27...(12) HA ARG 91 + HE3 LYS 94 OK 79 85 100 93 2.4-6.5 4198/4.8=34, 4186/4.8=27...(12) HA ARG 91 + HE3 LYS 90 OK 41 76 55 99 5.1-9.0 ~7437=69, ~3978=59...(17) HA GLU 35 - HE3 LYS 66 poor 14 72 20 - 5.7-10.5 HA ALA 89 - HE3 LYS 90 far 8 55 15 - 6.0-9.1 HA ALA 67 - HE3 LYS 66 far 8 81 10 - 6.0-8.9 HA ALA 67 - HE2 LYS 66 far 7 67 10 - 6.8-8.7 HA GLU 35 - HE2 LYS 66 far 6 58 10 - 5.1-11.0 HA ALA 67 - HE2 LYS 68 far 5 94 5 - 6.9-9.6 HA ALA 22 - HE2 LYS 94 far 3 59 5 - 7.0-12.2 HA ALA 71 - HE3 LYS 73 far 3 57 5 - 6.7-10.4 HB2 SER 85 - HE3 LYS 90 far 3 52 5 - 7.0-9.9 HA ALA 67 - HE3 LYS 68 far 0 92 0 - 7.5-9.9 HA ALA 22 - HE3 LYS 94 far 0 56 0 - 8.0-11.7 HA ALA 22 - HE3 LYS 20 far 0 57 0 - 8.6-11.9 HA ALA 71 - HE3 LYS 68 far 0 84 0 - 8.6-12.0 HA ALA 71 - HE2 LYS 68 far 0 87 0 - 8.8-11.5 HA ALA 22 - HE3 LYS 90 far 0 48 0 - 8.8-12.6 HA LYS 12 - HE3 LYS 90 far 0 87 0 - 8.8-15.6 HA LYS 12 - HE3 LYS 20 far 0 97 0 - 8.8-13.5 HA LYS 12 - HE2 LYS 20 far 0 96 0 - 8.8-13.1 HA ALA 67 - HE3 LYS 73 far 0 64 0 - 9.1-12.1 HA ALA 89 - HE3 LYS 94 far 0 63 0 - 9.1-12.7 HA ALA 71 - HE3 LYS 66 far 0 73 0 - 9.2-14.3 HA ARG 91 - HE2 LYS 20 far 0 86 0 - 9.3-15.9 HA ARG 91 - HE3 LYS 20 far 0 87 0 - 9.4-15.8 HA ALA 22 - HE2 LYS 20 far 0 56 0 - 9.5-11.7 HA GLU 35 - HE3 LYS 73 far 0 56 0 - 9.5-15.0 HA LYS 94 - HE3 LYS 90 far 0 90 0 - 9.6-11.3 HA LEU 38 - HE3 LYS 66 far 0 83 0 - 9.6-15.4 HA ALA 89 - HE2 LYS 94 far 0 68 0 - 9.8-12.9 HA LEU 38 - HE2 LYS 66 far 0 69 0 - 9.8-15.2 HA GLU 43 - HE3 LYS 73 far 0 60 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 4254 from cnoeabs.peaks (1.92, 2.92, 41.80 ppm; 3.78 A): 9 out of 44 assignments used, quality = 1.00: HB3 LYS 20 + HE3 LYS 20 OK 95 96 100 99 2.1-4.7 4.7=51, 871/6314=18...(82) * HB2 LYS 94 + HE2 LYS 94 OK 94 100 95 99 2.0-4.9 4.8=49, 1.8/4206=36...(35) HB2 LYS 94 + HE3 LYS 94 OK 92 98 95 99 2.1-4.7 4.8=49, 1.8/4266=26...(35) HB3 LYS 20 + HE2 LYS 20 OK 85 96 90 99 2.3-5.0 4.7=51, 871/6314=20...(82) HB2 LYS 20 + HE3 LYS 20 OK 62 69 90 99 2.0-5.2 4.7=51, 4.0/6314=17...(87) HB2 LYS 20 + HE2 LYS 20 OK 61 68 90 99 2.2-5.1 4.7=51, 4.0/6314=18...(87) HB2 GLU 17 + HE3 LYS 90 OK 41 80 70 74 2.0-6.0 12027/3.8=31...(12) HB3 LYS 73 + HE3 LYS 73 OK 40 40 100 100 2.1-4.6 4.9=46, ~3234=12...(121) HB2 LYS 73 + HE3 LYS 73 OK 23 39 60 100 3.3-5.2 4.9=46, ~3234=12...(121) HB2 GLU 17 - HE2 LYS 20 far 9 90 10 - 3.9-9.5 HB3 ARG 19 - HE2 LYS 20 far 5 98 5 - 3.4-9.0 HB2 ARG 19 - HE2 LYS 20 far 4 74 5 - 4.4-9.1 HB2 GLU 17 - HE3 LYS 20 far 0 91 0 - 4.7-9.2 HB3 ARG 19 - HE3 LYS 20 far 0 98 0 - 4.8-8.8 HB2 ARG 19 - HE3 LYS 20 far 0 74 0 - 5.4-9.2 HB3 LYS 20 - HE3 LYS 90 far 0 86 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 78 0 - 5.7-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 89 0 - 6.4-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 77 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 89 0 - 6.9-14.2 HB2 LYS 20 - HE3 LYS 90 far 0 59 0 - 7.2-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 89 0 - 7.4-13.5 HB3 LYS 13 - HE2 LYS 20 far 0 97 0 - 7.4-12.2 HB2 LYS 73 - HE3 LYS 66 far 0 51 0 - 7.6-12.7 HB3 LYS 13 - HE3 LYS 20 far 0 98 0 - 7.8-13.0 HB3 LYS 20 - HE2 LYS 94 far 0 98 0 - 7.8-15.6 HB2 LYS 73 - HE2 LYS 68 far 0 63 0 - 8.2-12.4 HB2 ARG 19 - HE3 LYS 90 far 0 64 0 - 8.3-14.1 HB2 LYS 20 - HE2 LYS 94 far 0 71 0 - 8.3-14.3 HB3 LYS 20 - HE3 LYS 94 far 0 95 0 - 8.3-15.2 HB2 LYS 13 - HE2 LYS 20 far 0 98 0 - 8.7-13.3 HB2 LYS 20 - HE3 LYS 94 far 0 67 0 - 8.7-14.1 HB3 LYS 73 - HE3 LYS 66 far 0 52 0 - 8.8-13.9 HB2 LYS 13 - HE3 LYS 20 far 0 98 0 - 9.0-14.0 HB2 LYS 73 - HE3 LYS 68 far 0 60 0 - 9.0-12.8 HB2 LYS 73 - HE2 LYS 66 far 0 40 0 - 9.2-11.6 HB2 LYS 94 - HE2 LYS 20 far 0 99 0 - 9.2-14.8 HB2 GLU 17 - HE2 LYS 94 far 0 93 0 - 9.4-13.4 HB3 LYS 73 - HE2 LYS 68 far 0 64 0 - 9.6-13.8 HB2 GLU 17 - HE3 LYS 94 far 0 89 0 - 9.7-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 89 0 - 9.7-13.9 HB2 LYS 94 - HE3 LYS 20 far 0 99 0 - 9.8-14.7 HG3 GLU 88 - HE2 LYS 94 far 0 91 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (2.02, 2.92, 41.80 ppm; 4.29 A): 3 out of 32 assignments used, quality = 1.00: * HB3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.2-4.7 4.8=72, 4206/1.8=29...(55) HB3 LYS 94 + HE3 LYS 94 OK 98 98 100 100 3.0-5.0 4.8=72, 4206/1.8=44...(57) HB3 GLU 17 + HE3 LYS 90 OK 34 83 45 91 2.3-7.0 12029/3.8=37...(17) HB2 GLU 62 - HE3 LYS 66 far 13 83 15 - 4.6-9.0 HB2 GLU 35 - HE3 LYS 66 far 12 78 15 - 4.7-9.8 HB3 GLU 17 - HE2 LYS 20 far 9 93 10 - 5.0-10.0 HB2 MET 21 - HE2 LYS 94 far 8 81 10 - 5.1-10.7 HB2 GLU 62 - HE2 LYS 66 far 7 69 10 - 4.4-8.4 HB2 MET 21 - HE3 LYS 90 far 7 67 10 - 4.1-8.8 HB2 GLU 35 - HE2 LYS 66 far 6 64 10 - 3.4-10.7 QE MET 74 - HE3 LYS 73 far 3 56 5 - 5.2-9.5 HB3 GLU 17 - HE3 LYS 20 far 0 93 0 - 5.3-9.7 HB2 MET 21 - HE3 LYS 94 far 0 76 0 - 5.8-10.8 HB2 MET 21 - HE3 LYS 20 far 0 78 0 - 5.9-9.9 HB2 GLU 98 - HE2 LYS 94 far 0 90 0 - 5.9-8.7 HB2 GLU 98 - HE3 LYS 94 far 0 85 0 - 5.9-9.9 HB2 MET 21 - HE2 LYS 20 far 0 77 0 - 6.0-9.4 HB3 GLU 98 - HE3 LYS 94 far 0 87 0 - 6.8-10.8 HB3 GLU 98 - HE2 LYS 94 far 0 91 0 - 6.8-9.6 HB3 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.1-11.0 HG12 ILE 93 - HE3 LYS 90 far 0 84 0 - 7.4-11.4 QE MET 74 - HE3 LYS 66 far 0 72 0 - 8.7-13.4 HB2 GLU 35 - HE3 LYS 73 far 0 62 0 - 8.8-14.3 HG12 ILE 93 - HE2 LYS 94 far 0 96 0 - 8.8-11.4 HB2 GLU 99 - HE2 LYS 94 far 0 91 0 - 8.9-13.4 HB2 GLU 99 - HE3 LYS 94 far 0 87 0 - 8.9-14.6 HB2 GLU 62 - HE2 LYS 68 far 0 96 0 - 9.1-14.1 HB3 GLU 99 - HE2 LYS 94 far 0 96 0 - 9.4-13.9 HB2 GLU 62 - HE3 LYS 68 far 0 94 0 - 9.5-14.6 QE MET 74 - HE2 LYS 66 far 0 58 0 - 9.5-12.7 HG12 ILE 93 - HE3 LYS 94 far 0 93 0 - 9.6-11.8 HG12 ILE 93 - HE3 LYS 20 far 0 94 0 - 9.9-13.6 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 37 assignments used, quality = 1.00: * HG2 LYS 94 + HE2 LYS 94 OK 99 100 100 99 2.1-4.1 3.9=79, 2.9/4206=26...(45) HG2 LYS 94 + HE3 LYS 94 OK 97 98 100 99 2.4-4.2 3.9=79, 2.9/4266=19...(48) HG3 LYS 68 + HE2 LYS 68 OK 94 95 100 99 2.0-4.1 3.6=99 HG3 LYS 68 + HE3 LYS 68 OK 92 93 100 99 2.0-4.1 3.6=99 QB ALA 89 - HE3 LYS 90 poor 8 90 25 36 3.1-7.0 7415/7424=17...(5) QB ALA 25 - HE2 LYS 94 far 5 100 5 - 4.4-8.5 HG LEU 14 - HE3 LYS 90 far 4 87 5 - 3.7-9.7 HB2 LEU 70 - HE3 LYS 66 far 0 59 0 - 4.8-10.6 QB ALA 67 - HE2 LYS 68 far 0 97 0 - 4.8-7.7 QB ALA 67 - HE3 LYS 68 far 0 96 0 - 5.3-7.8 QB ALA 25 - HE3 LYS 94 far 0 98 0 - 5.4-8.1 HG2 LYS 39 - HE3 LYS 73 far 0 67 0 - 5.5-11.0 HB2 LEU 70 - HE2 LYS 66 far 0 47 0 - 6.0-10.0 HB2 LYS 82 - HE3 LYS 68 far 0 95 0 - 6.0-10.8 HB2 LYS 82 - HE2 LYS 68 far 0 97 0 - 6.4-11.0 QB ALA 67 - HE3 LYS 66 far 0 85 0 - 6.4-8.1 HB2 LEU 70 - HE3 LYS 73 far 0 45 0 - 6.5-9.1 QB ALA 67 - HE2 LYS 66 far 0 71 0 - 6.8-8.1 HG3 LYS 68 - HE2 LYS 66 far 0 68 0 - 7.4-11.6 QB ALA 89 - HE2 LYS 20 far 0 99 0 - 7.5-11.4 QB ALA 89 - HE3 LYS 20 far 0 99 0 - 7.5-11.0 HG3 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.7-10.4 QB ALA 89 - HE3 LYS 94 far 0 98 0 - 8.6-11.4 HB3 LEU 42 - HE3 LYS 73 far 0 37 0 - 8.6-13.2 QB ALA 25 - HE3 LYS 20 far 0 99 0 - 8.8-11.9 QB ALA 89 - HE2 LYS 94 far 0 100 0 - 8.8-11.7 HB2 LEU 70 - HE2 LYS 68 far 0 72 0 - 8.9-11.7 HG2 LYS 39 - HE3 LYS 66 far 0 84 0 - 9.0-14.8 HG LEU 14 - HE2 LYS 20 far 0 96 0 - 9.0-13.5 HG2 LYS 94 - HE3 LYS 90 far 0 90 0 - 9.0-11.8 HB2 LEU 70 - HE3 LYS 68 far 0 70 0 - 9.1-11.7 HG2 LYS 39 - HE2 LYS 66 far 0 70 0 - 9.1-13.4 QB ALA 25 - HE3 LYS 90 far 0 90 0 - 9.1-11.4 HG3 LYS 68 - HE3 LYS 73 far 0 65 0 - 9.3-13.6 QB ALA 67 - HE3 LYS 73 far 0 68 0 - 9.3-12.0 QB ALA 25 - HE2 LYS 20 far 0 99 0 - 9.3-11.7 HG LEU 14 - HE3 LYS 20 far 0 97 0 - 9.4-13.1 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 26 assignments used, quality = 1.00: * HG3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.0-3.7 3.9=85, 2.9/4206=27...(45) HG3 LYS 94 + HE3 LYS 94 OK 98 98 100 100 2.4-4.2 3.9=85, 4235/3.0=22...(49) HG3 LYS 68 + HE2 LYS 68 OK 68 68 100 100 2.0-4.1 3.6=100 HG3 LYS 68 + HE3 LYS 68 OK 66 66 100 100 2.0-4.1 3.6=100 HG LEU 14 - HE3 LYS 90 far 3 62 5 - 3.7-9.7 HB2 LEU 70 - HE3 LYS 66 far 0 81 0 - 4.8-10.6 QB ALA 71 - HE3 LYS 68 far 0 70 0 - 5.2-8.5 HG2 LYS 39 - HE3 LYS 73 far 0 37 0 - 5.5-11.0 QB ALA 71 - HE2 LYS 68 far 0 72 0 - 5.9-8.2 HB2 LEU 70 - HE2 LYS 66 far 0 67 0 - 6.0-10.0 HB2 LYS 82 - HE3 LYS 68 far 0 55 0 - 6.0-10.8 HB2 LYS 82 - HE2 LYS 68 far 0 57 0 - 6.4-11.0 HB2 LEU 70 - HE3 LYS 73 far 0 64 0 - 6.5-9.1 HG3 LYS 68 - HE2 LYS 66 far 0 45 0 - 7.4-11.6 QB ALA 71 - HE3 LYS 73 far 0 45 0 - 7.6-9.7 HG3 LYS 68 - HE3 LYS 66 far 0 56 0 - 7.7-10.4 QB ALA 71 - HE3 LYS 66 far 0 59 0 - 7.8-11.3 HG3 LYS 94 - HE3 LYS 90 far 0 90 0 - 8.3-12.0 QB ALA 71 - HE2 LYS 66 far 0 47 0 - 8.9-10.9 HB2 LEU 70 - HE2 LYS 68 far 0 94 0 - 8.9-11.7 HG2 LYS 39 - HE3 LYS 66 far 0 49 0 - 9.0-14.8 HG LEU 14 - HE2 LYS 20 far 0 72 0 - 9.0-13.5 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 9.1-11.7 HG2 LYS 39 - HE2 LYS 66 far 0 39 0 - 9.1-13.4 HG3 LYS 68 - HE3 LYS 73 far 0 43 0 - 9.3-13.6 HG LEU 14 - HE3 LYS 20 far 0 73 0 - 9.4-13.1 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 56 assignments used, quality = 1.00: * HD2 LYS 94 + HE2 LYS 94 OK 95 100 100 95 2.2-3.0 3.0=81, 3.5/4206=12...(32) HD2 LYS 94 + HE3 LYS 94 OK 93 98 100 95 2.2-3.0 3.0=81, 3.5/4266=9...(32) HD3 LYS 94 + HE2 LYS 94 OK 80 84 100 95 2.3-3.0 3.0=81, 3.5/4206=12...(37) HD3 LYS 94 + HE3 LYS 94 OK 75 80 100 95 2.3-3.0 3.0=81, 3.5/4266=9...(35) HD3 LYS 68 + HE2 LYS 68 OK 74 77 100 96 2.2-3.0 3.0=78, 3.0/4256=8...(57) HD2 LYS 68 + HE2 LYS 68 OK 72 75 100 96 2.2-3.0 3.0=78, 3.0/4256=8...(57) HD3 LYS 68 + HE3 LYS 68 OK 71 75 100 96 2.2-3.0 3.0=78, 3.0/4267=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 70 73 100 95 2.2-3.0 3.0=78, 3.0/4267=8...(57) HG2 LYS 68 + HE2 LYS 68 OK 66 89 80 92 2.1-4.1 3.6=44, 1.8/4256=10...(62) HD2 LYS 66 + HE3 LYS 66 OK 65 69 100 93 2.4-3.0 2.9=82, 2925/3.6=14...(17) HD2 LYS 66 + HE2 LYS 66 OK 52 56 100 93 2.4-3.0 2.9=82, 2925/3.6=14...(17) HG2 LYS 68 + HE3 LYS 68 OK 40 87 50 92 2.0-4.2 3.6=44, 1.8/4267=10...(63) HG3 LYS 73 + HE3 LYS 73 OK 27 50 60 90 2.3-4.2 4.0=32, 3298/3.0=12...(69) HD3 LYS 39 - HE3 LYS 73 far 3 60 5 - 3.2-10.4 HG2 ARG 19 - HE3 LYS 20 far 3 57 5 - 3.2-9.8 HD2 LYS 39 - HE3 LYS 73 far 0 45 0 - 4.0-10.2 HG2 ARG 19 - HE2 LYS 20 far 0 56 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 61 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 58 0 - 5.2-11.5 HG2 LYS 24 - HE2 LYS 20 far 0 58 0 - 5.4-11.8 HG2 LYS 24 - HE3 LYS 20 far 0 59 0 - 5.9-11.4 HD3 LYS 94 - HE3 LYS 90 far 0 70 0 - 6.3-9.9 HB3 ARG 79 - HE2 LYS 68 far 0 72 0 - 6.4-12.1 HB2 ARG 79 - HE3 LYS 68 far 0 79 0 - 6.9-13.0 HG2 LYS 68 - HE3 LYS 66 far 0 75 0 - 7.0-11.6 HG3 LYS 73 - HE2 LYS 68 far 0 78 0 - 7.0-12.0 HG2 LYS 68 - HE2 LYS 66 far 0 62 0 - 7.2-12.2 HB3 ARG 79 - HE3 LYS 68 far 0 70 0 - 7.4-11.7 HG3 LYS 73 - HE3 LYS 68 far 0 76 0 - 7.6-12.6 HD2 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.7-11.2 HB2 ARG 79 - HE2 LYS 68 far 0 82 0 - 7.7-13.1 HG3 LYS 73 - HE3 LYS 66 far 0 65 0 - 7.8-12.1 HD2 LYS 68 - HE2 LYS 66 far 0 50 0 - 7.9-12.2 HD2 LYS 66 - HE3 LYS 73 far 0 54 0 - 7.9-13.3 HD2 LYS 68 - HE3 LYS 66 far 0 62 0 - 7.9-11.7 HB3 LEU 29 - HE3 LYS 20 far 0 78 0 - 8.0-12.1 HG2 ARG 19 - HE3 LYS 90 far 0 48 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 50 0 - 8.3-12.2 HD2 LYS 66 - HE3 LYS 68 far 0 81 0 - 8.4-13.6 HG3 LYS 73 - HE2 LYS 66 far 0 53 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 83 0 - 8.5-13.8 HD3 LYS 39 - HE3 LYS 66 far 0 76 0 - 8.5-13.0 HG LEU 27 - HE2 LYS 94 far 0 84 0 - 8.5-13.2 HD2 LYS 39 - HE3 LYS 66 far 0 59 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 51 0 - 8.8-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 80 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 77 0 - 8.9-11.4 HD3 LYS 68 - HE3 LYS 66 far 0 63 0 - 9.1-12.4 HB ILE 76 - HE3 LYS 73 far 0 57 0 - 9.2-13.0 HD3 LYS 94 - HE3 LYS 20 far 0 81 0 - 9.3-15.7 HD2 LYS 39 - HE2 LYS 66 far 0 47 0 - 9.5-12.2 HD3 LYS 39 - HE2 LYS 66 far 0 63 0 - 9.6-12.8 HB3 LEU 29 - HE3 LYS 90 far 0 67 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 94 far 0 80 0 - 9.7-12.7 HD2 LYS 68 - HE3 LYS 73 far 0 48 0 - 9.8-14.9 HG2 LYS 68 - HE3 LYS 73 far 0 59 0 - 9.9-13.9 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 42 assignments used, quality = 1.00: * HD3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=98, 3.5/4206=14...(37) HD3 LYS 94 + HE3 LYS 94 OK 98 98 100 100 2.3-3.0 3.0=98, 3.5/4266=10...(37) HD2 LYS 66 + HE3 LYS 66 OK 85 85 100 100 2.4-3.0 2.9=100 HD2 LYS 94 + HE2 LYS 94 OK 83 84 100 99 2.2-3.0 3.0=98, 3.5/4206=14...(30) HD2 LYS 94 + HE3 LYS 94 OK 79 80 100 100 2.2-3.0 3.0=98, 3.5/4266=10...(31) HG3 LYS 90 + HE3 LYS 90 OK 75 85 100 89 2.1-3.7 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 42 68 65 95 2.3-4.2 4.0=39, 3298/3.0=20...(80) HG2 ARG 19 - HE3 LYS 20 far 5 96 5 - 3.2-9.8 HG2 ARG 19 - HE2 LYS 20 far 0 95 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 98 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 95 0 - 5.2-11.5 HG2 LYS 24 - HE2 LYS 20 far 0 96 0 - 5.4-11.8 HG3 LYS 90 - HE2 LYS 20 far 0 94 0 - 5.6-11.8 HG3 LYS 90 - HE3 LYS 20 far 0 95 0 - 5.6-10.7 HG2 LYS 24 - HE3 LYS 20 far 0 96 0 - 5.9-11.4 HD3 LYS 94 - HE3 LYS 90 far 0 90 0 - 6.3-9.9 HG3 LYS 90 - HE3 LYS 94 far 0 94 0 - 6.5-10.8 HG3 LYS 90 - HE2 LYS 94 far 0 97 0 - 6.8-10.7 HB2 ARG 79 - HE3 LYS 68 far 0 96 0 - 6.9-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 97 0 - 7.0-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 68 0 - 7.5-13.8 HD3 LYS 82 - HE3 LYS 68 far 0 66 0 - 7.6-13.7 HG3 LYS 73 - HE3 LYS 68 far 0 96 0 - 7.6-12.6 HD2 LYS 94 - HE3 LYS 90 far 0 70 0 - 7.7-11.2 HB2 ARG 79 - HE2 LYS 68 far 0 97 0 - 7.7-13.1 HG3 LYS 73 - HE3 LYS 66 far 0 85 0 - 7.8-12.1 HD2 LYS 66 - HE3 LYS 73 far 0 68 0 - 7.9-13.3 HB3 LEU 29 - HE3 LYS 20 far 0 99 0 - 8.0-12.1 HG LEU 103 - HE2 LYS 68 far 0 91 0 - 8.3-22.3 HG2 ARG 19 - HE3 LYS 90 far 0 85 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 86 0 - 8.3-12.2 HD2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.4-13.6 HG3 LYS 73 - HE2 LYS 66 far 0 71 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 97 0 - 8.5-13.8 HG LEU 27 - HE2 LYS 94 far 0 100 0 - 8.5-13.2 HD3 LYS 94 - HE2 LYS 20 far 0 99 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 99 0 - 8.9-11.4 HG LEU 103 - HE3 LYS 68 far 0 89 0 - 9.2-21.2 HD3 LYS 94 - HE3 LYS 20 far 0 99 0 - 9.3-15.7 HB3 LEU 29 - HE3 LYS 90 far 0 90 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 94 far 0 98 0 - 9.7-12.7 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): 5 out of 31 assignments used, quality = 1.00: * HA LYS 94 + HE3 LYS 94 OK 100 100 100 100 4.3-6.5 6.0=100 HA LYS 94 + HE2 LYS 94 OK 98 98 100 100 3.6-6.7 6.0=100 HA ARG 91 + HE3 LYS 94 OK 83 90 100 93 2.4-6.5 4198/4.8=34, 4186/4.8=27...(12) HA ARG 91 + HE2 LYS 94 OK 79 85 100 93 3.0-6.6 4198/4.8=34, 4186/4.8=27...(12) HA ARG 91 + HE3 LYS 90 OK 31 57 55 99 5.1-9.0 ~7437=69, ~3978=59...(17) HA GLU 35 - HE3 LYS 66 poor 17 86 20 - 5.7-10.5 HA ALA 67 - HE3 LYS 66 far 9 94 10 - 6.0-8.9 HA ALA 67 - HE2 LYS 66 far 9 86 10 - 6.8-8.7 HA GLU 35 - HE2 LYS 66 far 8 77 10 - 5.1-11.0 HA ALA 89 - HE3 LYS 90 far 6 40 15 - 6.0-9.1 HA ALA 67 - HE2 LYS 68 far 5 98 5 - 6.9-9.6 HA ALA 22 - HE2 LYS 94 far 3 56 5 - 7.0-12.2 HB2 SER 85 - HE3 LYS 90 far 2 38 5 - 7.0-9.9 HA ALA 67 - HE3 LYS 68 far 0 98 0 - 7.5-9.9 HA ALA 22 - HE3 LYS 94 far 0 59 0 - 8.0-11.7 HA ALA 22 - HE3 LYS 20 far 0 59 0 - 8.6-11.9 HA ALA 71 - HE3 LYS 68 far 0 91 0 - 8.6-12.0 HA ALA 71 - HE2 LYS 68 far 0 92 0 - 8.8-11.5 HA ALA 22 - HE3 LYS 90 far 0 35 0 - 8.8-12.6 HA LYS 12 - HE3 LYS 90 far 0 67 0 - 8.8-15.6 HA LYS 12 - HE3 LYS 20 far 0 98 0 - 8.8-13.5 HA LYS 12 - HE2 LYS 20 far 0 98 0 - 8.8-13.1 HA ALA 89 - HE3 LYS 94 far 0 68 0 - 9.1-12.7 HA ALA 71 - HE3 LYS 66 far 0 87 0 - 9.2-14.3 HA ARG 91 - HE2 LYS 20 far 0 89 0 - 9.3-15.9 HA ARG 91 - HE3 LYS 20 far 0 89 0 - 9.4-15.8 HA ALA 22 - HE2 LYS 20 far 0 59 0 - 9.5-11.7 HA LYS 94 - HE3 LYS 90 far 0 71 0 - 9.6-11.3 HA LEU 38 - HE3 LYS 66 far 0 96 0 - 9.6-15.4 HA ALA 89 - HE2 LYS 94 far 0 63 0 - 9.8-12.9 HA LEU 38 - HE2 LYS 66 far 0 89 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 4265 from cnoeabs.peaks (1.92, 2.91, 41.80 ppm; 3.78 A): 7 out of 42 assignments used, quality = 1.00: HB3 LYS 20 + HE3 LYS 20 OK 97 98 100 99 2.1-4.7 4.7=51, 871/6313=19...(82) * HB2 LYS 94 + HE3 LYS 94 OK 94 100 95 99 2.1-4.7 4.8=49, 1.8/4266=27...(35) HB2 LYS 94 + HE2 LYS 94 OK 92 98 95 99 2.0-4.9 4.8=49, 1.8/4206=37...(35) HB3 LYS 20 + HE2 LYS 20 OK 88 98 90 99 2.3-5.0 4.7=51, 871/6313=20...(82) HB2 LYS 20 + HE2 LYS 20 OK 64 71 90 99 2.2-5.1 4.7=51, 4.0/6313=18...(87) HB2 LYS 20 + HE3 LYS 20 OK 64 71 90 99 2.0-5.2 4.7=51, 4.0/6313=17...(87) HB2 GLU 17 + HE3 LYS 90 OK 30 61 70 70 2.0-6.0 12027/3.8=31, ~10433=15...(11) HB2 GLU 17 - HE2 LYS 20 far 9 93 10 - 3.9-9.5 HB3 ARG 19 - HE2 LYS 20 far 5 100 5 - 3.4-9.0 HB2 ARG 19 - HE2 LYS 20 far 4 77 5 - 4.4-9.1 HB2 GLU 17 - HE3 LYS 20 far 0 93 0 - 4.7-9.2 HB3 ARG 19 - HE3 LYS 20 far 0 100 0 - 4.8-8.8 HB2 ARG 19 - HE3 LYS 20 far 0 77 0 - 5.4-9.2 HB3 LYS 20 - HE3 LYS 90 far 0 67 0 - 5.5-9.9 HB3 LEU 14 - HE3 LYS 90 far 0 60 0 - 5.7-11.8 HB3 LYS 13 - HE3 LYS 90 far 0 69 0 - 6.4-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 6.8-9.7 HB3 ARG 19 - HE3 LYS 90 far 0 69 0 - 6.9-14.2 HB2 LYS 20 - HE3 LYS 90 far 0 43 0 - 7.2-11.1 HB2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.4-10.5 HB2 LYS 13 - HE3 LYS 90 far 0 70 0 - 7.4-13.5 HB3 LYS 13 - HE2 LYS 20 far 0 99 0 - 7.4-12.2 HB2 LYS 73 - HE3 LYS 66 far 0 63 0 - 7.6-12.7 HB3 LYS 13 - HE3 LYS 20 far 0 99 0 - 7.8-13.0 HB3 LYS 20 - HE2 LYS 94 far 0 95 0 - 7.8-15.6 HB2 LYS 73 - HE2 LYS 68 far 0 67 0 - 8.2-12.4 HB2 ARG 19 - HE3 LYS 90 far 0 47 0 - 8.3-14.1 HB2 LYS 20 - HE2 LYS 94 far 0 67 0 - 8.3-14.3 HB3 LYS 20 - HE3 LYS 94 far 0 98 0 - 8.3-15.2 HB2 LYS 13 - HE2 LYS 20 far 0 100 0 - 8.7-13.3 HB2 LYS 20 - HE3 LYS 94 far 0 71 0 - 8.7-14.1 HB3 LYS 73 - HE3 LYS 66 far 0 64 0 - 8.8-13.9 HB2 LYS 13 - HE3 LYS 20 far 0 100 0 - 9.0-14.0 HB2 LYS 73 - HE3 LYS 68 far 0 67 0 - 9.0-12.8 HB2 LYS 73 - HE2 LYS 66 far 0 55 0 - 9.2-11.6 HB2 LYS 94 - HE2 LYS 20 far 0 100 0 - 9.2-14.8 HB2 GLU 17 - HE2 LYS 94 far 0 89 0 - 9.4-13.4 HB3 LYS 73 - HE2 LYS 68 far 0 69 0 - 9.6-13.8 HB2 GLU 17 - HE3 LYS 94 far 0 93 0 - 9.7-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 92 0 - 9.7-13.9 HB2 LYS 94 - HE3 LYS 20 far 0 100 0 - 9.8-14.7 HG3 GLU 88 - HE2 LYS 94 far 0 87 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (2.02, 2.91, 41.80 ppm; 4.29 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 3.0-5.0 4.8=72, 4206/1.8=44...(57) HB3 LYS 94 + HE2 LYS 94 OK 98 98 100 100 2.2-4.7 4.8=72, 4206/1.8=29...(55) HB3 GLU 17 + HE3 LYS 90 OK 26 63 45 89 2.3-7.0 12029/3.8=37...(17) HB2 GLU 62 - HE3 LYS 66 far 14 96 15 - 4.6-9.0 HB2 GLU 35 - HE3 LYS 66 far 14 92 15 - 4.7-9.8 HB3 GLU 17 - HE2 LYS 20 far 10 96 10 - 5.0-10.0 HB2 GLU 62 - HE2 LYS 66 far 9 89 10 - 4.4-8.4 HB2 GLU 35 - HE2 LYS 66 far 8 84 10 - 3.4-10.7 HB2 MET 21 - HE2 LYS 94 far 8 76 10 - 5.1-10.7 HB2 MET 21 - HE3 LYS 90 far 5 50 10 - 4.1-8.8 HB3 GLU 17 - HE3 LYS 20 far 0 95 0 - 5.3-9.7 HB2 MET 21 - HE3 LYS 94 far 0 81 0 - 5.8-10.8 HB2 MET 21 - HE3 LYS 20 far 0 80 0 - 5.9-9.9 HB2 GLU 98 - HE2 LYS 94 far 0 85 0 - 5.9-8.7 HB2 GLU 98 - HE3 LYS 94 far 0 90 0 - 5.9-9.9 HB2 MET 21 - HE2 LYS 20 far 0 81 0 - 6.0-9.4 HB3 GLU 98 - HE3 LYS 94 far 0 91 0 - 6.8-10.8 HB3 GLU 98 - HE2 LYS 94 far 0 87 0 - 6.8-9.6 HB3 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.1-11.0 HG12 ILE 93 - HE3 LYS 90 far 0 64 0 - 7.4-11.4 QE MET 74 - HE3 LYS 66 far 0 86 0 - 8.7-13.4 HG12 ILE 93 - HE2 LYS 94 far 0 93 0 - 8.8-11.4 HB2 GLU 99 - HE2 LYS 94 far 0 87 0 - 8.9-13.4 HB2 GLU 99 - HE3 LYS 94 far 0 91 0 - 8.9-14.6 HB2 GLU 62 - HE2 LYS 68 far 0 100 0 - 9.1-14.1 HB3 GLU 99 - HE2 LYS 94 far 0 93 0 - 9.4-13.9 HB2 GLU 62 - HE3 LYS 68 far 0 99 0 - 9.5-14.6 QE MET 74 - HE2 LYS 66 far 0 77 0 - 9.5-12.7 HG12 ILE 93 - HE3 LYS 94 far 0 96 0 - 9.6-11.8 HG12 ILE 93 - HE3 LYS 20 far 0 96 0 - 9.9-13.6 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 32 assignments used, quality = 1.00: * HG2 LYS 94 + HE3 LYS 94 OK 99 100 100 99 2.4-4.2 3.9=79, 2.9/4266=20...(48) HG3 LYS 68 + HE2 LYS 68 OK 98 99 100 99 2.0-4.1 3.6=99 HG3 LYS 68 + HE3 LYS 68 OK 98 99 100 99 2.0-4.1 3.6=99 HG2 LYS 94 + HE2 LYS 94 OK 97 98 100 99 2.1-4.1 3.9=79, 2.9/4206=26...(45) QB ALA 89 - HE3 LYS 90 poor 18 71 25 - 3.1-7.0 QB ALA 25 - HE2 LYS 94 far 5 98 5 - 4.4-8.5 HG LEU 14 - HE3 LYS 90 far 3 67 5 - 3.7-9.7 HB2 LEU 70 - HE3 LYS 66 far 0 72 0 - 4.8-10.6 QB ALA 67 - HE2 LYS 68 far 0 100 0 - 4.8-7.7 QB ALA 67 - HE3 LYS 68 far 0 100 0 - 5.3-7.8 QB ALA 25 - HE3 LYS 94 far 0 100 0 - 5.4-8.1 HB2 LEU 70 - HE2 LYS 66 far 0 64 0 - 6.0-10.0 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 6.0-10.8 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 6.4-11.0 QB ALA 67 - HE3 LYS 66 far 0 97 0 - 6.4-8.1 QB ALA 67 - HE2 LYS 66 far 0 90 0 - 6.8-8.1 HG3 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.4-11.6 QB ALA 89 - HE2 LYS 20 far 0 100 0 - 7.5-11.4 QB ALA 89 - HE3 LYS 20 far 0 100 0 - 7.5-11.0 HG3 LYS 68 - HE3 LYS 66 far 0 95 0 - 7.7-10.4 QB ALA 89 - HE3 LYS 94 far 0 100 0 - 8.6-11.4 QB ALA 25 - HE3 LYS 20 far 0 100 0 - 8.8-11.9 QB ALA 89 - HE2 LYS 94 far 0 98 0 - 8.8-11.7 HB2 LEU 70 - HE2 LYS 68 far 0 77 0 - 8.9-11.7 HG2 LYS 39 - HE3 LYS 66 far 0 97 0 - 9.0-14.8 HG LEU 14 - HE2 LYS 20 far 0 98 0 - 9.0-13.5 HG2 LYS 94 - HE3 LYS 90 far 0 71 0 - 9.0-11.8 HB2 LEU 70 - HE3 LYS 68 far 0 77 0 - 9.1-11.7 HG2 LYS 39 - HE2 LYS 66 far 0 89 0 - 9.1-13.4 QB ALA 25 - HE3 LYS 90 far 0 71 0 - 9.1-11.4 QB ALA 25 - HE2 LYS 20 far 0 100 0 - 9.3-11.7 HG LEU 14 - HE3 LYS 20 far 0 98 0 - 9.4-13.1 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 22 assignments used, quality = 1.00: * HG3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-4.2 3.9=85, 4235/3.0=22...(49) HG3 LYS 94 + HE2 LYS 94 OK 98 98 100 100 2.0-3.7 3.9=85, 2.9/4206=27...(45) HG3 LYS 68 + HE2 LYS 68 OK 73 73 100 100 2.0-4.1 3.6=100 HG3 LYS 68 + HE3 LYS 68 OK 73 73 100 100 2.0-4.1 3.6=100 HG LEU 14 - HE3 LYS 90 far 2 46 5 - 3.7-9.7 HB2 LEU 70 - HE3 LYS 66 far 0 94 0 - 4.8-10.6 QB ALA 71 - HE3 LYS 68 far 0 77 0 - 5.2-8.5 QB ALA 71 - HE2 LYS 68 far 0 77 0 - 5.9-8.2 HB2 LEU 70 - HE2 LYS 66 far 0 86 0 - 6.0-10.0 HB2 LYS 82 - HE3 LYS 68 far 0 61 0 - 6.0-10.8 HB2 LYS 82 - HE2 LYS 68 far 0 61 0 - 6.4-11.0 HG3 LYS 68 - HE2 LYS 66 far 0 60 0 - 7.4-11.6 HG3 LYS 68 - HE3 LYS 66 far 0 68 0 - 7.7-10.4 QB ALA 71 - HE3 LYS 66 far 0 72 0 - 7.8-11.3 HG3 LYS 94 - HE3 LYS 90 far 0 71 0 - 8.3-12.0 QB ALA 71 - HE2 LYS 66 far 0 64 0 - 8.9-10.9 HB2 LEU 70 - HE2 LYS 68 far 0 98 0 - 8.9-11.7 HG2 LYS 39 - HE3 LYS 66 far 0 61 0 - 9.0-14.8 HG LEU 14 - HE2 LYS 20 far 0 75 0 - 9.0-13.5 HB2 LEU 70 - HE3 LYS 68 far 0 98 0 - 9.1-11.7 HG2 LYS 39 - HE2 LYS 66 far 0 53 0 - 9.1-13.4 HG LEU 14 - HE3 LYS 20 far 0 75 0 - 9.4-13.1 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 49 assignments used, quality = 1.00: * HD2 LYS 94 + HE3 LYS 94 OK 95 100 100 95 2.2-3.0 3.0=81, 3.5/4266=9...(32) HD2 LYS 94 + HE2 LYS 94 OK 93 98 100 95 2.2-3.0 3.0=81, 3.5/4206=13...(32) HD3 LYS 94 + HE3 LYS 94 OK 79 84 100 95 2.3-3.0 3.0=81, 3.5/4266=9...(35) HD3 LYS 68 + HE2 LYS 68 OK 79 82 100 96 2.2-3.0 3.0=78, 3.0/4267=8...(58) HD3 LYS 68 + HE3 LYS 68 OK 78 82 100 96 2.2-3.0 3.0=78, 3.0/4267=8...(58) HD2 LYS 66 + HE3 LYS 66 OK 78 83 100 94 2.4-3.0 2.9=82, 2925/3.6=14...(18) HD2 LYS 68 + HE2 LYS 68 OK 77 81 100 96 2.2-3.0 3.0=78, 3.0/4267=8...(58) HD2 LYS 68 + HE3 LYS 68 OK 77 80 100 96 2.2-3.0 3.0=78, 3.0/4267=8...(58) HD3 LYS 94 + HE2 LYS 94 OK 75 80 100 95 2.3-3.0 3.0=81, 3.5/4206=13...(37) HD2 LYS 66 + HE2 LYS 66 OK 70 75 100 94 2.4-3.0 2.9=82, 2925/3.6=14...(18) HG2 LYS 68 + HE2 LYS 68 OK 70 94 80 93 2.1-4.1 3.6=44, 1.8/4267=10...(63) HG2 LYS 68 + HE3 LYS 68 OK 43 94 50 93 2.0-4.2 3.6=44, 1.8/4267=10...(63) HG2 ARG 19 - HE3 LYS 20 far 3 59 5 - 3.2-9.8 HG2 ARG 19 - HE2 LYS 20 far 0 59 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 58 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 61 0 - 5.2-11.5 HG2 LYS 24 - HE2 LYS 20 far 0 61 0 - 5.4-11.8 HG2 LYS 24 - HE3 LYS 20 far 0 61 0 - 5.9-11.4 HD3 LYS 94 - HE3 LYS 90 far 0 53 0 - 6.3-9.9 HB3 ARG 79 - HE2 LYS 68 far 0 77 0 - 6.4-12.1 HB2 ARG 79 - HE3 LYS 68 far 0 86 0 - 6.9-13.0 HG2 LYS 68 - HE3 LYS 66 far 0 89 0 - 7.0-11.6 HG3 LYS 73 - HE2 LYS 68 far 0 84 0 - 7.0-12.0 HG2 LYS 68 - HE2 LYS 66 far 0 81 0 - 7.2-12.2 HB3 ARG 79 - HE3 LYS 68 far 0 77 0 - 7.4-11.7 HG3 LYS 73 - HE3 LYS 68 far 0 83 0 - 7.6-12.6 HD2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.7-11.2 HB2 ARG 79 - HE2 LYS 68 far 0 87 0 - 7.7-13.1 HG3 LYS 73 - HE3 LYS 66 far 0 78 0 - 7.8-12.1 HD2 LYS 68 - HE2 LYS 66 far 0 67 0 - 7.9-12.2 HD2 LYS 68 - HE3 LYS 66 far 0 75 0 - 7.9-11.7 HB3 LEU 29 - HE3 LYS 20 far 0 80 0 - 8.0-12.1 HG2 ARG 19 - HE3 LYS 90 far 0 35 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 36 0 - 8.3-12.2 HD2 LYS 66 - HE3 LYS 68 far 0 88 0 - 8.4-13.6 HG3 LYS 73 - HE2 LYS 66 far 0 70 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 88 0 - 8.5-13.8 HD3 LYS 39 - HE3 LYS 66 far 0 90 0 - 8.5-13.0 HG LEU 27 - HE2 LYS 94 far 0 80 0 - 8.5-13.2 HD2 LYS 39 - HE3 LYS 66 far 0 72 0 - 8.7-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 69 0 - 8.8-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 84 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 81 0 - 8.9-11.4 HD3 LYS 68 - HE3 LYS 66 far 0 77 0 - 9.1-12.4 HD3 LYS 94 - HE3 LYS 20 far 0 84 0 - 9.3-15.7 HD2 LYS 39 - HE2 LYS 66 far 0 64 0 - 9.5-12.2 HD3 LYS 39 - HE2 LYS 66 far 0 82 0 - 9.6-12.8 HB3 LEU 29 - HE3 LYS 90 far 0 50 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 94 far 0 84 0 - 9.7-12.7 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 40 assignments used, quality = 1.00: * HD3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=98, 3.5/4266=11...(37) HD3 LYS 94 + HE2 LYS 94 OK 98 98 100 100 2.3-3.0 3.0=98, 3.5/4206=15...(37) HD2 LYS 66 + HE3 LYS 66 OK 97 97 100 100 2.4-3.0 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 84 100 100 2.2-3.0 3.0=98, 3.5/4266=11...(31) HD2 LYS 94 + HE2 LYS 94 OK 79 80 100 99 2.2-3.0 3.0=98, 3.5/4206=15...(30) HG3 LYS 90 + HE3 LYS 90 OK 56 65 100 85 2.1-3.7 3.8=47, 1.8/4005=22...(16) HG2 ARG 19 - HE3 LYS 20 far 5 97 5 - 3.2-9.8 HG2 ARG 19 - HE2 LYS 20 far 0 98 0 - 4.2-9.6 HG2 LYS 24 - HE2 LYS 94 far 0 95 0 - 4.6-12.1 HG2 LYS 24 - HE3 LYS 94 far 0 98 0 - 5.2-11.5 HG2 LYS 24 - HE2 LYS 20 far 0 98 0 - 5.4-11.8 HG3 LYS 90 - HE2 LYS 20 far 0 97 0 - 5.6-11.8 HG3 LYS 90 - HE3 LYS 20 far 0 97 0 - 5.6-10.7 HG2 LYS 24 - HE3 LYS 20 far 0 98 0 - 5.9-11.4 HD3 LYS 94 - HE3 LYS 90 far 0 71 0 - 6.3-9.9 HG3 LYS 90 - HE3 LYS 94 far 0 97 0 - 6.5-10.8 HG3 LYS 90 - HE2 LYS 94 far 0 94 0 - 6.8-10.7 HB2 ARG 79 - HE3 LYS 68 far 0 100 0 - 6.9-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 100 0 - 7.0-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 73 0 - 7.5-13.8 HD3 LYS 82 - HE3 LYS 68 far 0 73 0 - 7.6-13.7 HG3 LYS 73 - HE3 LYS 68 far 0 100 0 - 7.6-12.6 HD2 LYS 94 - HE3 LYS 90 far 0 53 0 - 7.7-11.2 HB2 ARG 79 - HE2 LYS 68 far 0 100 0 - 7.7-13.1 HG3 LYS 73 - HE3 LYS 66 far 0 97 0 - 7.8-12.1 HB3 LEU 29 - HE3 LYS 20 far 0 100 0 - 8.0-12.1 HG LEU 103 - HE2 LYS 68 far 0 96 0 - 8.3-22.3 HG2 ARG 19 - HE3 LYS 90 far 0 66 0 - 8.3-14.1 HG2 LYS 24 - HE3 LYS 90 far 0 67 0 - 8.3-12.2 HD2 LYS 66 - HE3 LYS 68 far 0 100 0 - 8.4-13.6 HG3 LYS 73 - HE2 LYS 66 far 0 90 0 - 8.5-11.7 HD2 LYS 66 - HE2 LYS 68 far 0 100 0 - 8.5-13.8 HG LEU 27 - HE2 LYS 94 far 0 98 0 - 8.5-13.2 HD3 LYS 94 - HE2 LYS 20 far 0 100 0 - 8.9-15.1 HB3 LEU 29 - HE2 LYS 20 far 0 100 0 - 8.9-11.4 HG LEU 103 - HE3 LYS 68 far 0 95 0 - 9.2-21.2 HD3 LYS 94 - HE3 LYS 20 far 0 100 0 - 9.3-15.7 HB3 LEU 29 - HE3 LYS 90 far 0 71 0 - 9.6-15.1 HG LEU 27 - HE3 LYS 94 far 0 100 0 - 9.7-12.7 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 2.9-2.9 3.0=100 H ILE 93 - HA GLU 95 far 0 100 0 - 6.8-7.2 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): 2 out of 11 assignments used, quality = 1.00: * HB2 GLU 95 + HA GLU 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 16 + HA GLU 16 OK 22 22 100 100 2.3-3.0 3.0=100 HB3 GLN 72 - HA GLU 69 poor 19 22 100 85 2.0-3.3 9559=34, 1.8/9560=24...(11) HG2 GLU 98 - HA GLU 95 far 15 99 15 - 2.8-5.5 HG2 GLU 99 - HA GLU 95 poor 7 95 35 21 3.3-6.6 7606/7598=12...(4) HB3 GLU 16 - HA LYS 20 far 0 28 0 - 6.3-8.8 HG2 GLU 75 - HA GLU 69 far 0 21 0 - 8.8-11.0 HG3 GLU 75 - HA GLU 69 far 0 23 0 - 9.3-11.0 HG2 GLU 35 - HA GLU 69 far 0 35 0 - 9.4-13.3 HG3 GLU 35 - HA GLU 69 far 0 35 0 - 9.6-13.2 HG3 PRO 86 - HA GLU 16 far 0 46 0 - 9.9-12.2 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 14 assignments used, quality = 1.00: * HB3 GLU 95 + HA GLU 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 16 + HA GLU 16 OK 47 47 100 100 2.3-3.0 3.0=100 HB3 GLU 23 + HA LYS 20 OK 34 58 100 58 2.2-3.4 705=23, 6366/6358=21...(6) HB3 GLU 69 + HA GLU 69 OK 21 21 100 100 2.4-2.6 3.0=100 HB2 GLU 69 + HA GLU 69 OK 21 21 100 100 3.0-3.0 3.0=100 HG2 GLU 69 + HA GLU 69 OK 20 21 100 97 2.8-3.7 1.8/3118=45, 4.1=40...(22) HB2 GLN 72 - HA GLU 69 poor 9 35 25 - 3.1-5.0 HB3 GLU 16 - HA LYS 20 far 0 57 0 - 6.3-8.8 HB2 PRO 86 - HA GLU 16 far 0 22 0 - 7.6-9.8 HB3 GLU 23 - HA GLU 16 far 0 48 0 - 7.8-9.6 HG2 GLU 75 - HA GLU 69 far 0 33 0 - 8.8-11.0 HG3 GLU 75 - HA GLU 69 far 0 32 0 - 9.3-11.0 HG2 GLU 104 - HA GLU 95 far 0 99 0 - 9.6-17.2 HG3 PRO 86 - HA GLU 16 far 0 24 0 - 9.9-12.2 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 2.1-4.2 4302/3.0=75, 4301=73...(10) HG2 GLU 23 + HA LYS 20 OK 38 59 90 73 2.0-4.9 1.8/10471=28, 4301=27...(8) HG3 GLU 16 + HA GLU 16 OK 34 34 100 100 2.4-4.0 1.8/712=68, 4.1=66...(23) HG2 GLU 17 - HA GLU 16 far 0 34 0 - 5.2-7.1 HG2 GLU 23 - HA GLU 16 far 0 48 0 - 6.9-9.2 HG3 GLU 16 - HA LYS 20 far 0 42 0 - 7.8-10.3 HG2 GLU 17 - HA LYS 20 far 0 42 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 4279 from cnoeabs.peaks (2.52, 4.02, 59.37 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 95 + HA GLU 95 OK 100 100 100 100 2.2-3.7 4308=100, 7542/3.0=69...(18) HG3 GLU 23 + HA LYS 20 OK 20 33 95 66 2.0-5.4 10471=25, 5.0/6358=24...(5) HG3 GLN 72 - HA GLU 69 poor 18 33 55 - 2.9-6.1 HG3 GLU 23 - HA GLU 16 far 0 26 0 - 6.5-9.6 HG2 MET 74 - HA GLU 69 far 0 36 0 - 7.3-8.7 HD2 ARG 91 - HA GLU 95 far 0 59 0 - 7.4-9.7 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 99 100 100 99 3.8-4.1 7568=62, 7567/3.0=57...(10) H LYS 68 + HA GLU 69 OK 25 25 100 97 5.1-5.2 7122/3.0=71, 10789=60...(8) H LEU 27 - HA LYS 20 far 0 39 0 - 7.7-8.5 H GLU 104 - HA GLU 95 far 0 100 0 - 9.4-15.2 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 99 100 100 99 3.0-3.5 7583=62, 7582/11014=58...(10) H MET 21 + HA LYS 20 OK 39 39 100 100 3.5-3.6 3.6=100 H MET 21 - HA GLU 16 far 0 32 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.64 A): 4 out of 18 assignments used, quality = 0.97: * HB2 GLU 98 + HA GLU 95 OK 80 100 95 85 2.0-4.7 4368=51, 1.8/4376=33...(7) HB3 GLU 98 + HA GLU 95 OK 66 100 80 82 3.5-4.9 4376=44, 1.8/4368=38...(6) HB3 LYS 94 + HA GLU 95 OK 35 90 40 98 4.1-5.5 7531/3.0=54...(12) HB2 GLU 16 + HA GLU 16 OK 30 30 100 100 2.5-3.0 3.0=100 HB2 GLU 99 - HA GLU 95 far 10 100 10 - 4.4-7.1 HB3 GLU 99 - HA GLU 95 far 0 100 0 - 5.1-7.9 HB2 MET 21 - HA LYS 20 far 0 58 0 - 5.5-6.5 HB3 GLU 17 - HA GLU 16 far 0 23 0 - 5.6-6.0 HB2 GLU 16 - HA LYS 20 far 0 37 0 - 5.8-8.4 HB2 MET 21 - HA GLU 16 far 0 47 0 - 7.2-9.4 HG12 ILE 93 - HA LYS 20 far 0 57 0 - 7.5-10.5 HB3 GLU 17 - HA LYS 20 far 0 29 0 - 8.1-8.8 HB2 MET 74 - HA GLU 69 far 0 30 0 - 8.1-10.3 HG12 ILE 93 - HA GLU 16 far 0 47 0 - 8.3-11.4 HG12 ILE 93 - HA GLU 95 far 0 100 0 - 8.5-9.6 HB2 MET 21 - HA GLU 95 far 0 100 0 - 8.7-10.9 HB3 LEU 38 - HA GLU 69 far 0 24 0 - 9.1-12.4 HG3 GLU 28 - HA LYS 20 far 0 50 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.64 A): 4 out of 18 assignments used, quality = 0.97: HB2 GLU 98 + HA GLU 95 OK 80 100 95 85 2.0-4.7 4368=51, 1.8/4376=33...(7) * HB3 GLU 98 + HA GLU 95 OK 66 100 80 82 3.5-4.9 4376=44, 1.8/4368=38...(6) HB3 LYS 94 + HA GLU 95 OK 36 91 40 98 4.1-5.5 7531/3.0=55...(12) HB2 GLU 16 + HA GLU 16 OK 29 29 100 100 2.5-3.0 3.0=100 HB2 GLU 99 - HA GLU 95 far 10 100 10 - 4.4-7.1 HB3 GLU 99 - HA GLU 95 far 0 100 0 - 5.1-7.9 HB2 MET 21 - HA LYS 20 far 0 57 0 - 5.5-6.5 HB3 GLU 17 - HA GLU 16 far 0 24 0 - 5.6-6.0 HB2 GLU 16 - HA LYS 20 far 0 36 0 - 5.8-8.4 HB2 MET 21 - HA GLU 16 far 0 47 0 - 7.2-9.4 HG12 ILE 93 - HA LYS 20 far 0 58 0 - 7.5-10.5 HB3 GLU 17 - HA LYS 20 far 0 30 0 - 8.1-8.8 HB2 MET 74 - HA GLU 69 far 0 30 0 - 8.1-10.3 HG12 ILE 93 - HA GLU 16 far 0 47 0 - 8.3-11.4 HG12 ILE 93 - HA GLU 95 far 0 100 0 - 8.5-9.6 HB2 MET 21 - HA GLU 95 far 0 100 0 - 8.7-10.9 HB3 LEU 38 - HA GLU 69 far 0 23 0 - 9.1-12.4 HG3 GLU 28 - HA LYS 20 far 0 49 0 - 9.3-13.4 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 2.7-5.0 4092=100, 4093/1.8=92...(8) Violated in 4 structures by 0.03 A. Peak 4285 from cnoeabs.peaks (8.36, 2.20, 29.51 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HB2 GLU 95 OK 100 100 100 100 2.1-3.5 4.0=100 H ILE 93 - HB2 GLU 95 far 5 100 5 - 4.9-7.1 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 2.5-3.0 3.0=100 HB3 SER 97 - HB2 GLU 95 far 0 59 0 - 6.8-8.8 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 0 99 0 - 8.1-17.0 HG2 GLU 88 - HB2 GLU 95 far 0 95 0 - 9.3-12.8 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 2.2-2.6 2.9=100 HD3 ARG 81 - HB2 GLU 95 far 0 63 0 - 8.3-11.9 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 2 assignments used, quality = 1.00: * HG3 GLU 95 + HB2 GLU 95 OK 100 100 100 100 2.6-3.0 2.9=100 HD2 ARG 91 - HB2 GLU 95 far 0 59 0 - 5.6-9.0 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 2.8-3.8 7552=100, 7550/7539=77...(9) H SER 97 + HB2 GLU 95 OK 81 100 85 96 5.0-5.7 7567/7539=58...(7) H GLU 104 - HB2 GLU 95 far 0 100 0 - 7.1-15.0 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 2.5-5.6 4093=100, 4092/1.8=93...(9) Violated in 3 structures by 0.07 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 2.1-3.6 4.0=100 H ILE 93 - HB3 GLU 95 far 5 100 5 - 4.9-7.7 Violated in 0 structures by 0.00 A. Peak 4294 from cnoeabs.peaks (4.02, 2.16, 29.51 ppm; 3.12 A): 3 out of 8 assignments used, quality = 1.00: * HA GLU 95 + HB3 GLU 95 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLU 16 + HB3 GLU 16 OK 59 59 100 100 2.3-3.0 3.0=100 HA LYS 20 + HB3 GLU 23 OK 27 45 100 60 2.2-3.4 6358/6366=25, 857=24...(5) HA GLU 17 - HB3 GLU 16 far 0 49 0 - 4.1-5.6 HA LYS 20 - HB3 GLU 16 far 0 50 0 - 6.3-8.8 HB3 SER 97 - HB3 GLU 95 far 0 59 0 - 6.8-8.8 HA GLU 16 - HB3 GLU 23 far 0 54 0 - 7.8-9.6 HA GLU 17 - HB3 GLU 23 far 0 44 0 - 8.1-9.1 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 far 0 95 0 - 3.3-6.9 HG2 GLU 98 - HB3 GLU 95 far 0 99 0 - 5.8-8.5 HG3 PRO 86 - HB3 GLU 16 far 0 71 0 - 7.5-12.3 HB3 GLU 16 - HB3 GLU 23 far 0 32 0 - 9.1-11.3 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 2.3-3.0 2.9=93, 4302/1.8=79...(11) HG2 GLU 23 + HB3 GLU 23 OK 66 67 100 99 2.2-3.0 2.9=95, 1024/1.8=39...(17) HG3 GLU 16 + HB3 GLU 16 OK 53 53 100 99 2.2-3.0 3.0=84, 1024/1.8=29...(25) HG2 GLU 17 - HB3 GLU 16 poor 5 53 40 25 3.1-7.1 6257/6251=23, 1038=2 HG2 GLU 23 - HB3 GLU 16 far 0 73 0 - 8.1-11.8 HD3 ARG 81 - HB3 GLU 95 far 0 63 0 - 8.4-12.2 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 2.3-3.0 2.9=100 HG3 GLU 23 + HB3 GLU 23 OK 38 38 100 100 2.2-3.0 2.9=100 HD2 ARG 91 - HB3 GLU 95 far 0 59 0 - 5.6-9.1 HG3 GLU 23 - HB3 GLU 16 far 0 42 0 - 8.7-12.1 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (8.21, 2.16, 29.51 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 96 + HB3 GLU 95 OK 100 100 100 100 2.8-4.3 7552/1.8=93, 4.6=85...(8) H SER 97 + HB3 GLU 95 OK 49 100 55 89 5.0-5.6 7567/7540=55...(5) H LEU 27 - HB3 GLU 23 far 0 45 0 - 5.6-6.6 H GLU 104 - HB3 GLU 95 far 0 100 0 - 8.3-14.7 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 4 assignments used, quality = 1.00: * H GLU 95 + HG2 GLU 95 OK 100 100 100 100 2.3-3.9 7541=99, 7542/1.8=84...(13) H GLU 63 + HG2 GLU 62 OK 49 76 75 87 2.8-5.1 7015/2.9=49, 7016/2.9=35...(8) H GLU 63 + HG3 GLU 62 OK 30 76 45 88 3.2-5.3 7015/2.9=49, 7016/2.9=35...(8) H ILE 93 - HG2 GLU 95 far 5 100 5 - 4.7-8.2 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 7 assignments used, quality = 1.00: * HA GLU 95 + HG2 GLU 95 OK 100 100 100 100 2.1-4.2 3.0/4302=72, 4308/1.8=64...(10) HA LYS 20 + HG2 GLU 23 OK 37 62 90 66 2.0-4.9 6358/6367=26...(7) HA GLU 16 - HG2 GLU 23 far 0 72 0 - 6.9-9.2 HB3 SER 97 - HG2 GLU 95 far 0 59 0 - 7.1-10.1 HA GLU 17 - HG2 GLU 23 far 0 61 0 - 7.6-10.2 HB3 SER 59 - HG2 GLU 62 far 0 87 0 - 9.0-13.0 HB3 SER 59 - HG3 GLU 62 far 0 87 0 - 9.6-13.1 Violated in 0 structures by 0.00 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 2.2-2.6 2.9=56, 1.8/4297=21...(8) HG2 GLU 99 - HG2 GLU 95 far 0 95 0 - 3.6-7.2 HG2 GLU 98 - HG2 GLU 95 far 0 99 0 - 4.3-9.0 HB2 GLU 63 - HG2 GLU 62 far 0 91 0 - 5.0-8.4 HB2 GLU 63 - HG3 GLU 62 far 0 91 0 - 5.3-8.5 HG2 GLU 35 - HG2 GLU 62 far 0 91 0 - 7.9-12.6 HG3 GLU 35 - HG2 GLU 62 far 0 91 0 - 8.0-12.3 HG3 GLU 35 - HG3 GLU 62 far 0 91 0 - 8.1-13.5 HB3 GLU 16 - HG2 GLU 23 far 0 45 0 - 8.1-11.8 HG2 GLU 35 - HG3 GLU 62 far 0 91 0 - 8.4-14.1 Violated in 10 structures by 0.10 A. Peak 4303 from cnoeabs.peaks (2.16, 2.27, 36.47 ppm; 2.61 A): 2 out of 17 assignments used, quality = 0.98: * HB3 GLU 95 + HG2 GLU 95 OK 90 100 100 90 2.3-3.0 2.9=72, 7540/7541=24...(8) HB3 GLU 23 + HG2 GLU 23 OK 82 86 100 95 2.2-3.0 2.9=74, 1.8/1024=34...(13) HB2 GLU 63 - HG2 GLU 62 far 0 50 0 - 5.0-8.4 HB2 GLU 63 - HG3 GLU 62 far 0 50 0 - 5.3-8.5 HG2 GLU 69 - HG3 GLU 62 far 0 63 0 - 7.1-10.0 HG2 GLU 69 - HG2 GLU 62 far 0 63 0 - 7.1-10.7 HB2 GLU 69 - HG3 GLU 62 far 0 63 0 - 7.8-10.6 HB2 GLU 69 - HG2 GLU 62 far 0 63 0 - 7.9-10.4 HG2 GLU 35 - HG2 GLU 62 far 0 52 0 - 7.9-12.6 HG3 GLU 35 - HG2 GLU 62 far 0 52 0 - 8.0-12.3 HG2 GLU 104 - HG2 GLU 95 far 0 99 0 - 8.0-17.3 HG3 GLU 35 - HG3 GLU 62 far 0 52 0 - 8.1-13.5 HB3 GLU 16 - HG2 GLU 23 far 0 85 0 - 8.1-11.8 HG2 GLU 35 - HG3 GLU 62 far 0 52 0 - 8.4-14.1 HB3 GLU 69 - HG3 GLU 62 far 0 63 0 - 9.1-11.7 HB3 GLU 69 - HG2 GLU 62 far 0 63 0 - 9.2-12.0 HG2 GLU 88 - HG2 GLU 95 far 0 95 0 - 9.2-13.5 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 8 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 13 90 15 - 3.0-7.8 HG3 GLU 63 - HG3 GLU 62 far 0 90 0 - 4.5-8.2 HB2 ASP 61 - HG3 GLU 62 far 0 85 0 - 4.8-7.9 HD2 ARG 91 - HG2 GLU 95 far 0 59 0 - 5.2-8.1 HB2 ASP 61 - HG2 GLU 62 far 0 85 0 - 5.3-7.7 HB3 ASP 87 - HG2 GLU 95 far 0 81 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (8.21, 2.27, 36.47 ppm; 4.83 A): 1 out of 7 assignments used, quality = 1.00: * H PHE 96 + HG2 GLU 95 OK 100 100 100 100 2.5-5.1 7554=96, 7552/4302=93...(7) H LEU 27 - HG2 GLU 23 poor 12 62 20 - 4.6-6.4 H SER 97 - HG2 GLU 95 far 5 100 5 - 5.1-7.0 H LYS 68 - HG3 GLU 62 far 0 73 0 - 7.8-10.2 H LYS 68 - HG2 GLU 62 far 0 73 0 - 8.2-10.1 H GLU 104 - HG2 GLU 95 far 0 100 0 - 8.3-15.8 H ASP 36 - HG3 GLU 62 far 0 71 0 - 9.9-15.0 Violated in 16 structures by 0.15 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 2.4-3.5 7542=100, 7541/1.8=65...(16) H ILE 93 - HG3 GLU 95 far 0 100 0 - 5.2-7.6 Violated in 0 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 2.2-3.7 4.1=74, 3.0/7542=63...(19) HB3 SER 97 - HG3 GLU 95 far 0 59 0 - 6.8-9.8 Violated in 0 structures by 0.00 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 2.6-3.0 2.9=100 HG2 GLU 99 - HG3 GLU 95 far 0 95 0 - 4.3-7.3 HG2 GLU 98 - HG3 GLU 95 far 0 99 0 - 5.1-8.2 Violated in 11 structures by 0.02 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 2.3-3.0 2.9=100 HG2 GLU 104 - HG3 GLU 95 far 0 99 0 - 7.2-18.2 HG2 GLU 88 - HG3 GLU 95 far 0 95 0 - 8.9-13.4 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 - 8.8-13.9 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 2.3-5.1 7552/2.9=91...(8) H SER 97 + HG3 GLU 95 OK 34 100 35 96 4.7-6.7 7567/7542=69...(5) H GLU 104 - HG3 GLU 95 far 0 100 0 - 7.5-16.1 Violated in 0 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 2.7-2.8 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 - 8.4-12.7 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 4 assignments used, quality = 1.00: * HB2 PHE 96 + HA PHE 96 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 ARG 79 - HA PHE 96 far 0 85 0 - 5.8-9.2 HD2 ARG 79 - HA PHE 96 far 0 82 0 - 6.1-8.9 HB2 TRP 92 - HA PHE 96 far 0 100 0 - 7.3-8.0 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 2.4-2.6 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 4 assignments used, quality = 0.99: * QD PHE 96 + HA PHE 96 OK 99 100 100 99 2.2-2.7 3.7=78, 2.2/11016=45...(14) HZ3 TRP 92 - HA PHE 96 far 0 71 0 - 4.4-10.7 HZ PHE 96 - HA PHE 96 far 0 73 0 - 5.8-6.1 HE ARG 91 - HA PHE 96 far 0 67 0 - 9.8-13.6 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 2.7-2.8 3.0=100 H GLU 104 - HA PHE 96 far 0 100 0 - 8.4-12.7 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 3.2-4.5 7599=100, 7595/7585=61...(9) Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.97: * HB2 GLU 99 + HA PHE 96 OK 88 100 95 92 2.8-6.3 3.0/11025=47...(6) HB3 GLU 99 + HA PHE 96 OK 73 100 80 91 2.1-6.2 3.0/11025=47...(5) HB2 GLU 98 - HA PHE 96 far 5 100 5 - 5.0-7.2 HB3 GLU 98 - HA PHE 96 far 0 100 0 - 6.4-7.6 HG12 ILE 93 - HA PHE 96 far 0 100 0 - 6.9-9.1 HB3 LYS 94 - HA PHE 96 far 0 91 0 - 7.2-8.4 HB2 MET 21 - HA PHE 96 far 0 100 0 - 9.5-11.9 Violated in 3 structures by 0.07 A. Peak 4324 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.97: HB2 GLU 99 + HA PHE 96 OK 87 100 95 92 2.8-6.3 3.0/11025=47...(6) * HB3 GLU 99 + HA PHE 96 OK 73 100 80 91 2.1-6.2 3.0/11025=47...(5) HB2 GLU 98 - HA PHE 96 far 5 100 5 - 5.0-7.2 HB3 GLU 98 - HA PHE 96 far 0 100 0 - 6.4-7.6 HG12 ILE 93 - HA PHE 96 far 0 100 0 - 6.9-9.1 HB3 LYS 94 - HA PHE 96 far 0 96 0 - 7.2-8.4 HB2 MET 21 - HA PHE 96 far 0 98 0 - 9.5-11.9 Violated in 3 structures by 0.07 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 2.0-2.9 4128/1.8=79...(19) 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 3 assignments used, quality = 1.00: * H PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.5-2.9 7557=100, 7558/1.8=84...(13) H SER 97 + HB2 PHE 96 OK 100 100 100 100 2.7-3.0 7571=100, 7572/1.8=66...(12) H LEU 27 - HB2 PHE 96 far 0 79 0 - 8.1-9.3 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 2.3-2.3 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 - 6.1-10.4 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 3 assignments used, quality = 1.00: * H SER 97 + HB2 PHE 96 OK 100 100 100 100 2.7-3.0 7571=100, 7572/1.8=66...(13) H PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.5-2.9 7557=100, 7558/1.8=84...(13) H LEU 27 - HB2 PHE 96 far 0 85 0 - 8.1-9.3 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 2.4-3.2 4128=100, 4325/1.8=77...(15) 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 4 assignments used, quality = 1.00: * H PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.2-2.6 7558=100, 7557/1.8=82...(11) H SER 97 + HB3 PHE 96 OK 99 100 100 99 3.7-4.1 7572=75, 7571/1.8=74...(11) H GLU 104 - HB3 PHE 96 far 0 100 0 - 9.4-15.1 H LEU 27 - HB3 PHE 96 far 0 79 0 - 9.8-11.0 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 2.4-2.6 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 4 assignments used, quality = 1.00: * HB2 PHE 96 + HB3 PHE 96 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 79 - HB3 PHE 96 far 0 85 0 - 5.3-9.6 HB2 TRP 92 - HB3 PHE 96 far 0 100 0 - 5.4-6.0 HD2 ARG 79 - HB3 PHE 96 far 0 82 0 - 6.5-9.3 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 4 assignments used, quality = 1.00: * QD PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.5-2.7 2.4=100 HZ3 TRP 92 - HB3 PHE 96 far 4 71 5 - 4.4-9.0 HZ PHE 96 - HB3 PHE 96 far 0 73 0 - 5.8-5.8 HE ARG 91 - HB3 PHE 96 far 0 68 0 - 9.5-12.8 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 4 assignments used, quality = 1.00: H PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.2-2.6 7558=100, 7557/1.8=82...(11) * H SER 97 + HB3 PHE 96 OK 99 100 100 99 3.7-4.1 7572=75, 7571/1.8=74...(11) H GLU 104 - HB3 PHE 96 far 0 100 0 - 9.4-15.1 H LEU 27 - HB3 PHE 96 far 0 85 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4343 from cnoeabs.peaks (8.22, 3.82, 60.49 ppm; 3.63 A): 1 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 far 0 100 0 - 5.2-5.4 H LEU 27 - HA SER 97 far 0 85 0 - 7.1-8.9 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 2.3-2.9 3.0=100 HB3 SER 97 + HA SER 97 OK 68 68 100 100 2.2-3.0 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 2.2-3.0 3.0=95, 4356/3.0=38...(14) HB2 SER 97 + HA SER 97 OK 67 68 100 99 2.3-2.9 3.0=95, 4350/3.0=22...(13) HA GLU 95 - HA SER 97 far 0 59 0 - 6.2-6.4 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 3.5-3.6 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 3.4-4.4 7616=100, 10085/10066=87...(6) 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 = 0.85: * HA LYS 94 + HB2 SER 97 OK 85 100 90 94 3.6-5.2 4182=73, 7566/4350=40...(6) HA ALA 22 - HB2 SER 97 far 0 59 0 - 4.6-6.6 HA2 GLY 100 - HB2 SER 97 far 0 100 0 - 6.0-8.7 HA ARG 91 - HB2 SER 97 far 0 90 0 - 8.6-10.2 HA2 GLY 101 - HB2 SER 97 far 0 100 0 - 8.8-11.4 HB2 SER 102 - HB2 SER 97 far 0 81 0 - 9.2-15.4 HA3 GLY 101 - HB2 SER 97 far 0 82 0 - 9.5-11.6 Violated in 19 structures by 0.34 A. Peak 4350 from cnoeabs.peaks (8.22, 3.95, 63.02 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.98: * H SER 97 + HB2 SER 97 OK 98 100 100 98 2.1-3.6 4.1=71, 7578/1.8=42...(11) H PHE 96 - HB2 SER 97 far 10 100 10 - 4.4-6.4 H LEU 27 - HB2 SER 97 far 0 85 0 - 6.0-7.4 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 4 assignments used, quality = 1.00: * HA SER 97 + HB2 SER 97 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 22 - HB2 SER 97 far 0 99 0 - 4.6-6.6 HB3 SER 102 - HB2 SER 97 far 0 100 0 - 9.4-15.2 HA ARG 19 - HB2 SER 97 far 0 100 0 - 9.7-12.1 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 3.1-3.9 4.5=100 H MET 21 - HB2 SER 97 far 0 79 0 - 9.2-11.2 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 = 0.42: * HA LYS 94 + HB3 SER 97 OK 42 100 45 93 3.7-5.5 4182/1.8=59...(7) HA ALA 22 - HB3 SER 97 far 0 59 0 - 5.3-7.4 HA2 GLY 100 - HB3 SER 97 far 0 100 0 - 5.4-8.0 HB2 SER 102 - HB3 SER 97 far 0 81 0 - 8.3-15.4 HA2 GLY 101 - HB3 SER 97 far 0 100 0 - 8.5-11.2 HA ARG 91 - HB3 SER 97 far 0 90 0 - 8.7-11.1 HA3 GLY 101 - HB3 SER 97 far 0 82 0 - 9.4-11.4 Violated in 17 structures by 0.90 A. Peak 4356 from cnoeabs.peaks (8.22, 3.98, 63.02 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.99: * H SER 97 + HB3 SER 97 OK 99 100 100 99 2.2-3.6 4.1=68, 7577/1.8=50...(13) H PHE 96 - HB3 SER 97 far 0 100 0 - 4.6-6.4 H LEU 27 - HB3 SER 97 far 0 85 0 - 5.3-8.1 Violated in 3 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 2.2-3.0 3.0=100 HA ALA 22 - HB3 SER 97 far 0 99 0 - 5.3-7.4 HB3 SER 102 - HB3 SER 97 far 0 100 0 - 9.3-15.1 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 1 assignment used, quality = 1.00: * H GLU 98 + HB3 SER 97 OK 100 100 100 100 2.1-4.3 4.5=100 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 2.8-2.9 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: * HB2 GLU 98 + HA GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 GLU 99 - HA GLU 98 far 0 100 0 - 5.4-6.6 HB2 GLU 99 - HA GLU 98 far 0 100 0 - 5.5-6.6 HB3 LYS 94 - HA GLU 98 far 0 90 0 - 7.7-9.7 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: HB2 GLU 98 + HA GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 GLU 99 - HA GLU 98 far 0 100 0 - 5.4-6.6 HB2 GLU 99 - HA GLU 98 far 0 100 0 - 5.5-6.6 HB3 LYS 94 - HA GLU 98 far 0 91 0 - 7.7-9.7 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 = 0.99: * HG2 GLU 98 + HA GLU 98 OK 99 100 100 99 2.0-3.5 1.8/4366=68, 3.9=64...(12) HG2 GLU 99 - HA GLU 98 far 0 100 0 - 5.1-7.1 HB2 GLU 95 - HA GLU 98 far 0 99 0 - 6.9-8.4 HG2 MET 1 - HA GLU 98 far 0 95 0 - 8.1-11.9 Violated in 2 structures by 0.01 A. Peak 4366 from cnoeabs.peaks (2.47, 4.19, 57.07 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.6-3.7 1.8/4365=75, 3.9=72...(22) HG3 GLU 99 - HA GLU 98 far 0 68 0 - 5.5-7.2 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 3.3-3.6 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): 2 out of 10 assignments used, quality = 0.91: * HA GLU 95 + HB2 GLU 98 OK 74 100 95 78 2.0-4.7 4283=38, 7583/4.0=25...(7) HA GLU 95 + HB3 GLU 98 OK 64 100 85 75 3.5-4.9 4283=31, 4283/1.8=29...(6) HA GLU 95 - HB2 GLU 99 far 15 100 15 - 4.4-7.1 HB3 SER 97 - HB2 GLU 98 poor 15 59 25 - 4.3-6.5 HB2 SER 49 - HB2 GLN 50 far 0 23 0 - 5.0-7.6 HA GLU 95 - HB3 GLU 99 far 0 99 0 - 5.1-7.9 HB2 SER 49 - HB3 GLU 48 far 0 35 0 - 5.2-7.1 HB3 SER 97 - HB3 GLU 98 far 0 59 0 - 5.3-7.4 HB3 SER 97 - HB2 GLU 99 far 0 59 0 - 6.2-9.6 HB3 SER 97 - HB3 GLU 99 far 0 56 0 - 6.9-9.6 Violated in 1 structures by 0.02 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 2.1-3.3 4.0=62, 7594/3.0=53...(11) H GLU 98 + HB3 GLU 98 OK 98 100 100 98 3.4-3.6 4.0=62, 7594/3.0=53...(10) HD22 ASN 51 - HB2 GLN 50 poor 17 28 60 - 2.8-6.0 HE22 GLN 50 - HB2 GLN 50 poor 15 26 95 62 1.9-4.3 4.5=43, 9096/3.0=21...(4) H GLU 98 - HB3 GLU 99 far 5 99 5 - 4.0-6.6 H GLU 98 - HB2 GLU 99 far 0 100 0 - 4.5-6.6 HE22 GLN 50 - HB3 GLU 48 far 0 38 0 - 4.7-10.1 H LYS 40 - HB3 GLU 43 far 0 65 0 - 5.2-6.3 HD22 ASN 51 - HB3 GLU 48 far 0 41 0 - 7.0-11.0 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 8 assignments used, quality = 1.00: * HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.4-2.8 3.0=100 HA GLU 98 - HB3 GLU 99 far 0 99 0 - 5.4-6.6 HA GLU 98 - HB2 GLU 99 far 0 100 0 - 5.5-6.6 HA MET 1 - HB3 GLU 48 far 0 41 0 - 5.7-9.2 HA MET 1 - HB2 GLN 50 far 0 28 0 - 5.8-8.9 HA MET 1 - HB2 GLU 99 far 0 76 0 - 9.3-15.1 HA MET 1 - HB3 GLU 99 far 0 74 0 - 9.7-14.8 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 18 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 95 99 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 94 98 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) * HG2 GLU 98 + HB2 GLU 98 OK 93 100 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(11) HG2 GLU 98 + HB3 GLU 98 OK 93 100 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 43 + HB3 GLU 43 OK 55 60 100 91 2.2-2.9 3.0=77, 6695/6694=20...(14) HG2 GLU 99 - HB3 GLU 98 far 10 100 10 - 3.1-6.7 HG2 GLU 99 - HB2 GLU 98 poor 7 100 25 26 3.2-7.6 7611/4.6=16, 4384/4.0=6...(4) HB2 GLU 95 - HB2 GLU 99 far 0 98 0 - 3.8-7.7 HB2 GLU 95 - HB2 GLU 98 far 0 99 0 - 4.1-6.8 HB2 GLU 95 - HB3 GLU 99 far 0 96 0 - 4.3-7.9 HB2 GLU 95 - HB3 GLU 98 far 0 98 0 - 5.2-7.7 HG2 MET 1 - HB2 GLU 99 far 0 94 0 - 5.9-12.2 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 5.9-8.6 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.0-8.3 HG2 MET 1 - HB3 GLU 99 far 0 92 0 - 6.2-12.7 HG2 MET 1 - HB3 GLU 48 far 0 54 0 - 6.2-11.1 HG2 MET 1 - HB2 GLN 50 far 0 38 0 - 6.4-10.0 HG2 MET 1 - HB2 GLU 98 far 0 95 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (2.47, 2.04, 29.32 ppm; 3.34 A): 4 out of 11 assignments used, quality = 1.00: * HG3 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 67 67 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 64 64 100 100 2.4-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 poor 17 68 25 - 3.4-6.1 HG3 GLU 99 - HB3 GLU 98 far 3 67 5 - 3.9-7.1 HG3 GLU 98 - HB3 GLU 99 far 0 99 0 - 4.5-8.5 HG3 GLU 98 - HB2 GLU 99 far 0 100 0 - 5.9-8.0 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 7.7-10.4 HB3 ASP 36 - HB3 GLU 43 far 0 51 0 - 9.4-11.9 HD2 ARG 91 - HB2 GLU 98 far 0 98 0 - 9.8-12.6 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 8 assignments used, quality = 1.00: H GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(10) H GLU 99 + HB3 GLU 99 OK 95 99 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(9) H GLU 99 + HB3 GLU 98 OK 82 100 100 82 2.5-4.0 4.6=37, 7595/4.0=37...(8) * H GLU 99 + HB2 GLU 98 OK 81 100 95 86 2.0-4.5 4.6=37, 7595/4.0=37...(12) H TYR 41 - HB3 GLU 43 far 0 57 0 - 5.1-5.7 H GLU 28 - HB3 GLU 48 far 0 62 0 - 9.6-12.5 HE ARG 30 - HB3 GLU 43 far 0 80 0 - 9.7-14.4 HE ARG 30 - HB3 GLU 48 far 0 61 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 4376 from cnoeabs.peaks (4.02, 2.04, 29.32 ppm; 3.71 A): 2 out of 10 assignments used, quality = 0.91: HA GLU 95 + HB2 GLU 98 OK 74 100 95 78 2.0-4.7 4283=38, 7583/4.0=25...(7) * HA GLU 95 + HB3 GLU 98 OK 64 100 85 75 3.5-4.9 4283=31, 4283/1.8=29...(6) HA GLU 95 - HB2 GLU 99 far 15 100 15 - 4.4-7.1 HB3 SER 97 - HB2 GLU 98 poor 15 59 25 - 4.3-6.5 HB2 SER 49 - HB2 GLN 50 far 0 24 0 - 5.0-7.6 HA GLU 95 - HB3 GLU 99 far 0 99 0 - 5.1-7.9 HB2 SER 49 - HB3 GLU 48 far 0 34 0 - 5.2-7.1 HB3 SER 97 - HB3 GLU 98 far 0 59 0 - 5.3-7.4 HB3 SER 97 - HB2 GLU 99 far 0 59 0 - 6.2-9.6 HB3 SER 97 - HB3 GLU 99 far 0 57 0 - 6.9-9.6 Violated in 1 structures by 0.02 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 2.1-3.3 4.0=62, 7594/3.0=53...(11) * H GLU 98 + HB3 GLU 98 OK 98 100 100 98 3.4-3.6 4.0=62, 7594/3.0=53...(10) HD22 ASN 51 - HB2 GLN 50 poor 17 29 60 - 2.8-6.0 HE22 GLN 50 - HB2 GLN 50 poor 16 27 95 62 1.9-4.3 4.5=43, 9096/3.0=21...(4) H GLU 98 - HB3 GLU 99 far 5 99 5 - 4.0-6.6 H GLU 98 - HB2 GLU 99 far 0 100 0 - 4.5-6.6 HE22 GLN 50 - HB3 GLU 48 far 0 38 0 - 4.7-10.1 H LYS 40 - HB3 GLU 43 far 0 63 0 - 5.2-6.3 HD22 ASN 51 - HB3 GLU 48 far 0 40 0 - 7.0-11.0 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 8 assignments used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.4-2.8 3.0=100 HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 98 - HB3 GLU 99 far 0 99 0 - 5.4-6.6 HA GLU 98 - HB2 GLU 99 far 0 100 0 - 5.5-6.6 HA MET 1 - HB3 GLU 48 far 0 40 0 - 5.7-9.2 HA MET 1 - HB2 GLN 50 far 0 29 0 - 5.8-8.9 HA MET 1 - HB2 GLU 99 far 0 76 0 - 9.3-15.1 HA MET 1 - HB3 GLU 99 far 0 75 0 - 9.7-14.8 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 18 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 95 99 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 94 98 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 93 100 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(11) * HG2 GLU 98 + HB3 GLU 98 OK 93 100 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 43 + HB3 GLU 43 OK 53 58 100 91 2.2-2.9 3.0=77, 6695/6694=20...(14) HG2 GLU 99 - HB3 GLU 98 far 10 100 10 - 3.1-6.7 HG2 GLU 99 - HB2 GLU 98 poor 7 100 25 26 3.2-7.6 7611/4.6=16, 4384/4.0=6...(4) HB2 GLU 95 - HB2 GLU 99 far 0 98 0 - 3.8-7.7 HB2 GLU 95 - HB2 GLU 98 far 0 98 0 - 4.1-6.8 HB2 GLU 95 - HB3 GLU 99 far 0 97 0 - 4.3-7.9 HB2 GLU 95 - HB3 GLU 98 far 0 99 0 - 5.2-7.7 HG2 MET 1 - HB2 GLU 99 far 0 94 0 - 5.9-12.2 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 5.9-8.6 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.0-8.3 HG2 MET 1 - HB3 GLU 99 far 0 93 0 - 6.2-12.7 HG2 MET 1 - HB3 GLU 48 far 0 54 0 - 6.2-11.1 HG2 MET 1 - HB2 GLN 50 far 0 39 0 - 6.4-10.0 HG2 MET 1 - HB2 GLU 98 far 0 95 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (2.47, 2.04, 29.32 ppm; 3.34 A): 4 out of 11 assignments used, quality = 1.00: HG3 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 67 67 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 65 65 100 100 2.4-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 poor 17 67 25 - 3.4-6.1 HG3 GLU 99 - HB3 GLU 98 far 3 68 5 - 3.9-7.1 HG3 GLU 98 - HB3 GLU 99 far 0 99 0 - 4.5-8.5 HG3 GLU 98 - HB2 GLU 99 far 0 100 0 - 5.9-8.0 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 7.7-10.4 HB3 ASP 36 - HB3 GLU 43 far 0 49 0 - 9.4-11.9 HD2 ARG 91 - HB2 GLU 98 far 0 98 0 - 9.8-12.6 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 8 assignments used, quality = 1.00: H GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(10) H GLU 99 + HB3 GLU 99 OK 95 99 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(9) * H GLU 99 + HB3 GLU 98 OK 82 100 100 82 2.5-4.0 4.6=37, 7595/4.0=37...(8) H GLU 99 + HB2 GLU 98 OK 81 100 95 86 2.0-4.5 4.6=37, 7595/4.0=37...(12) H TYR 41 - HB3 GLU 43 far 0 55 0 - 5.1-5.7 H GLU 28 - HB3 GLU 48 far 0 61 0 - 9.6-12.5 HE ARG 30 - HB3 GLU 43 far 0 78 0 - 9.7-14.4 HE ARG 30 - HB3 GLU 48 far 0 61 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 4384 from cnoeabs.peaks (7.66, 2.21, 36.00 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.0-3.8 7593=100, 7594/1.8=97...(9) H GLU 98 + HG2 GLU 99 OK 48 99 55 88 4.1-6.8 7595/7611=66...(6) H LYS 40 - HG2 GLU 43 poor 16 33 50 - 4.7-6.2 H MET 21 - HG2 GLU 17 far 0 40 0 - 6.7-8.0 H SER 85 - HG2 GLU 17 far 0 36 0 - 8.8-12.3 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 5 assignments used, quality = 1.00: * HA GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.0-3.5 3.9=100 HA LYS 13 - HG2 GLU 17 poor 6 36 65 26 3.7-6.2 10427/6257=14...(4) HA ASP 87 - HG2 GLU 17 far 2 32 5 - 4.5-8.5 HA GLU 98 - HG2 GLU 99 far 0 99 0 - 5.1-7.1 HB3 SER 85 - HG2 GLU 17 far 0 60 0 - 7.1-10.7 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 97 99 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 96 99 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) * HB2 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(11) HB3 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(10) HB3 GLU 43 + HG2 GLU 43 OK 33 35 100 94 2.2-2.9 3.0=82, 1975/1.8=21...(18) HB3 GLU 17 + HG2 GLU 17 OK 28 30 100 94 2.3-2.9 3.0=82, 2.9/729=22...(11) HB3 GLU 98 - HG2 GLU 99 far 15 99 15 - 3.1-6.7 HB2 GLU 98 - HG2 GLU 99 poor 7 99 25 27 3.2-7.6 4.6/7611=17, 4.0/4384=6...(4) HB2 GLU 16 - HG2 GLU 17 far 2 38 5 - 3.1-6.8 HB2 MET 74 - HG2 GLU 43 far 0 36 0 - 5.0-7.2 HB3 GLU 99 - HG2 GLU 98 far 0 100 0 - 5.9-8.6 HB2 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.0-8.3 HB3 LYS 94 - HG2 GLU 98 far 0 90 0 - 6.3-8.2 HB2 MET 21 - HG2 GLU 17 far 0 59 0 - 7.2-9.5 HB3 LYS 94 - HG2 GLU 99 far 0 88 0 - 7.5-11.1 HB3 LEU 38 - HG2 GLU 43 far 0 29 0 - 8.0-10.6 HG12 ILE 93 - HG2 GLU 17 far 0 59 0 - 9.1-12.4 HB3 GLU 88 - HG2 GLU 17 far 0 36 0 - 9.3-12.9 HG12 ILE 93 - HG2 GLU 99 far 0 99 0 - 9.8-13.3 HB3 GLU 35 - HG2 GLU 43 far 0 22 0 - 9.8-13.1 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 97 99 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 96 99 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(11) * HB3 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(10) HB3 GLU 43 + HG2 GLU 43 OK 32 34 100 94 2.2-2.9 3.0=82, 1975/1.8=21...(18) HB3 GLU 17 + HG2 GLU 17 OK 29 31 100 94 2.3-2.9 3.0=82, 2.9/729=22...(11) HB3 GLU 98 - HG2 GLU 99 far 15 99 15 - 3.1-6.7 HB2 GLU 98 - HG2 GLU 99 poor 7 99 25 27 3.2-7.6 4.6/7611=17, 4.0/4384=6...(4) HB2 GLU 16 - HG2 GLU 17 far 2 37 5 - 3.1-6.8 HB2 MET 74 - HG2 GLU 43 far 0 35 0 - 5.0-7.2 HB3 GLU 99 - HG2 GLU 98 far 0 100 0 - 5.9-8.6 HB2 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.0-8.3 HB3 LYS 94 - HG2 GLU 98 far 0 91 0 - 6.3-8.2 HB2 MET 21 - HG2 GLU 17 far 0 59 0 - 7.2-9.5 HB3 LYS 94 - HG2 GLU 99 far 0 89 0 - 7.5-11.1 HB3 LEU 38 - HG2 GLU 43 far 0 28 0 - 8.0-10.6 HG12 ILE 93 - HG2 GLU 17 far 0 59 0 - 9.1-12.4 HB3 GLU 88 - HG2 GLU 17 far 0 35 0 - 9.3-12.9 HG12 ILE 93 - HG2 GLU 99 far 0 99 0 - 9.8-13.3 HB3 GLU 35 - HG2 GLU 43 far 0 21 0 - 9.8-13.1 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 10 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 - 5.1-8.2 HG3 GLU 99 - HG2 GLU 98 far 0 68 0 - 5.6-8.6 HB2 ASP 87 - HG2 GLU 17 far 0 46 0 - 6.4-11.0 HB3 ASP 87 - HG2 GLU 17 far 0 46 0 - 6.5-10.3 HB3 ASP 36 - HG2 GLU 43 far 0 24 0 - 8.8-11.3 HB2 ASP 36 - HG2 GLU 43 far 0 25 0 - 9.0-11.3 HD2 ARG 91 - HG2 GLU 98 far 0 98 0 - 9.6-14.1 HG3 GLU 23 - HG2 GLU 17 far 0 53 0 - 9.8-14.6 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 4 assignments used, quality = 1.00: H GLU 99 + HG2 GLU 99 OK 99 99 100 100 2.0-4.0 7611=91, 4428/1.8=79...(11) * H GLU 99 + HG2 GLU 98 OK 69 100 70 98 3.9-5.2 3.6/4365=63...(12) H TYR 41 - HG2 GLU 43 far 0 28 0 - 5.3-6.3 H LYS 20 - HG2 GLU 17 far 0 60 0 - 5.9-7.7 Violated in 0 structures by 0.00 A. Peak 4391 from cnoeabs.peaks (7.66, 2.47, 36.00 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.9-3.4 7594=100, 7593/1.8=89...(13) H MET 21 - HG3 GLU 23 far 8 51 15 - 4.4-7.4 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 2.6-3.7 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 2.2-3.0 3.0=100 HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 99 - HG3 GLU 98 far 0 100 0 - 4.5-8.5 HB3 LYS 94 - HG3 GLU 98 far 0 90 0 - 4.7-7.8 HB2 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.9-8.0 HB2 MET 21 - HG3 GLU 23 far 0 72 0 - 6.0-8.8 HG3 GLU 28 - HG3 GLU 23 far 0 63 0 - 6.7-11.0 HG2 GLU 28 - HG3 GLU 23 far 0 63 0 - 7.1-9.8 HB2 GLU 16 - HG3 GLU 23 far 0 48 0 - 7.2-11.9 HG12 ILE 93 - HG3 GLU 23 far 0 72 0 - 7.4-11.5 HB2 MET 21 - HG3 GLU 98 far 0 100 0 - 8.9-12.4 HB3 GLU 17 - HG3 GLU 23 far 0 38 0 - 9.7-12.9 HG12 ILE 93 - HG3 GLU 98 far 0 100 0 - 10.0-11.6 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 2.2-3.0 3.0=100 * HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 99 - HG3 GLU 98 far 0 100 0 - 4.5-8.5 HB3 LYS 94 - HG3 GLU 98 far 0 91 0 - 4.7-7.8 HB2 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.9-8.0 HB2 MET 21 - HG3 GLU 23 far 0 72 0 - 6.0-8.8 HG3 GLU 28 - HG3 GLU 23 far 0 62 0 - 6.7-11.0 HG2 GLU 28 - HG3 GLU 23 far 0 62 0 - 7.1-9.8 HB2 GLU 16 - HG3 GLU 23 far 0 46 0 - 7.2-11.9 HG12 ILE 93 - HG3 GLU 23 far 0 72 0 - 7.4-11.5 HB2 MET 21 - HG3 GLU 98 far 0 100 0 - 8.9-12.4 HB3 GLU 17 - HG3 GLU 23 far 0 39 0 - 9.7-12.9 HG12 ILE 93 - HG3 GLU 98 far 0 100 0 - 10.0-11.6 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 4 assignments used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 95 - HG3 GLU 98 far 0 99 0 - 3.9-7.9 HG2 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.1-8.2 HG2 GLU 17 - HG3 GLU 23 far 0 51 0 - 9.8-14.6 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 3.1-5.2 4.9=100 H LYS 20 + HG3 GLU 23 OK 35 73 50 95 4.1-7.0 2.9/10471=30...(17) H GLU 28 - HG3 GLU 23 far 0 73 0 - 7.4-9.5 HE ARG 30 - HG3 GLU 23 far 0 72 0 - 8.9-13.5 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 2.8-2.9 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): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 99 + HA GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 99 + HA GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 98 + HA GLU 99 OK 27 100 40 68 3.9-4.6 4407=13, 4375/3.0=12...(15) HB2 GLU 98 - HA GLU 99 far 15 100 15 - 4.0-5.6 Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (2.04, 4.12, 57.30 ppm; 3.28 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 99 + HA GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 99 + HA GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 98 + HA GLU 99 OK 27 100 40 68 3.9-4.6 4407=13, 4383/3.0=12...(15) HB2 GLU 98 - HA GLU 99 far 15 100 15 - 4.0-5.6 HB3 MET 1 - HA GLU 99 far 0 68 0 - 8.9-13.0 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 = 1.00: * HG2 GLU 99 + HA GLU 99 OK 100 100 100 100 2.3-3.7 4422=85, 7611/3.0=55...(19) HB2 GLU 95 - HA GLU 99 far 0 95 0 - 5.4-8.1 HG2 GLU 98 - HA GLU 99 far 0 100 0 - 6.0-6.7 HG2 MET 1 - HA GLU 99 far 0 88 0 - 7.7-12.3 Violated in 0 structures by 0.00 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 2.2-3.9 4.1=100 HG3 GLU 98 - HA GLU 99 far 3 68 5 - 4.6-6.8 HG3 MET 1 - HA GLU 99 far 0 92 0 - 9.1-13.0 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 1 assignment used, quality = 1.00: * H GLY 100 + HA GLU 99 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4405 from cnoeabs.peaks (4.51, 2.04, 29.37 ppm; 4.24 A): 3 out of 6 assignments used, quality = 0.99: * HA PHE 96 + HB2 GLU 99 OK 90 100 95 94 2.8-6.3 4323=53, 11025/3.0=46...(6) HA PHE 96 + HB3 GLU 99 OK 74 99 80 93 2.1-6.2 11025/3.0=46...(5) HA PHE 45 + HB3 GLU 48 OK 67 70 100 96 3.5-4.8 10190/6792=52...(7) HA PHE 96 - HB2 GLU 98 far 5 100 5 - 5.0-7.2 HA PHE 96 - HB3 GLU 98 far 0 100 0 - 6.4-7.6 HA PHE 45 - HB3 GLU 43 far 0 74 0 - 7.3-7.8 Violated in 1 structures by 0.01 A. Peak 4406 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.30 A): 4 out of 8 assignments used, quality = 1.00: * H GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(10) H GLU 99 + HB3 GLU 99 OK 95 99 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(9) H GLU 99 + HB3 GLU 98 OK 82 100 100 82 2.5-4.0 4.6=37, 7595/4.0=37...(8) H GLU 99 + HB2 GLU 98 OK 81 100 95 86 2.0-4.5 4.6=37, 7595/4.0=37...(12) H TYR 41 - HB3 GLU 43 far 0 53 0 - 5.1-5.7 H GLU 28 - HB3 GLU 48 far 0 71 0 - 9.6-12.5 HE ARG 30 - HB3 GLU 43 far 0 75 0 - 9.7-14.4 HE ARG 30 - HB3 GLU 48 far 0 70 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.31 A): 3 out of 11 assignments used, quality = 1.00: * HA GLU 99 + HB2 GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 99 + HB3 GLU 99 OK 99 99 100 100 2.4-3.0 3.0=100 HA GLU 99 + HB3 GLU 98 OK 31 100 45 68 3.9-4.6 3.0/4406=12, 4400=12...(15) HA GLU 99 - HB2 GLU 98 poor 20 100 20 - 4.0-5.6 HA LYS 47 - HB3 GLU 48 far 0 60 0 - 5.6-6.4 HA MET 1 - HB3 GLU 48 far 0 42 0 - 5.7-9.2 HA GLU 104 - HB3 GLU 99 far 0 99 0 - 6.7-12.9 HA GLU 104 - HB2 GLU 99 far 0 100 0 - 7.7-12.8 HA LYS 47 - HB3 GLU 43 far 0 64 0 - 8.1-9.6 HA MET 1 - HB2 GLU 99 far 0 70 0 - 9.3-15.1 HA MET 1 - HB3 GLU 99 far 0 68 0 - 9.7-14.8 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 96 100 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 95 99 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 92 99 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(11) HG2 GLU 98 + HB3 GLU 98 OK 92 99 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 43 + HB3 GLU 43 OK 43 47 100 91 2.2-2.9 3.0=77, 6695/6694=17...(14) HG2 GLU 99 - HB3 GLU 98 far 10 100 10 - 3.1-6.7 HG2 GLU 99 - HB2 GLU 98 poor 7 100 25 26 3.2-7.6 7611/4.6=16, 4384/4.0=6...(4) HB2 GLU 95 - HB2 GLU 99 far 0 95 0 - 3.8-7.7 HB2 GLU 95 - HB2 GLU 98 far 0 94 0 - 4.1-6.8 HB2 GLU 95 - HB3 GLU 99 far 0 93 0 - 4.3-7.9 HB2 GLU 95 - HB3 GLU 98 far 0 94 0 - 5.2-7.7 HG2 MET 1 - HB2 GLU 99 far 0 88 0 - 5.9-12.2 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 5.9-8.6 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.0-8.3 HG2 MET 1 - HB3 GLU 99 far 0 86 0 - 6.2-12.7 HG2 MET 1 - HB3 GLU 48 far 0 56 0 - 6.2-11.1 HG2 MET 1 - HB2 GLU 98 far 0 88 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 4411 from cnoeabs.peaks (2.44, 2.04, 29.37 ppm; 3.07 A): 5 out of 17 assignments used, quality = 1.00: * HG3 GLU 99 + HB2 GLU 99 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 99 99 100 100 2.4-3.0 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 2.5-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 67 67 100 100 2.2-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 poor 7 100 25 27 3.4-6.1 4428/4.6=22, 4.7/4412=4 HG3 GLU 99 - HB3 GLU 98 far 5 100 5 - 3.9-7.1 HG3 GLN 50 - HB3 GLU 48 far 3 70 5 - 3.7-8.2 HG3 GLU 98 - HB3 GLU 99 far 0 66 0 - 4.5-8.5 HG2 GLN 50 - HB3 GLU 48 far 0 36 0 - 4.9-8.1 HG3 GLU 98 - HB2 GLU 99 far 0 68 0 - 5.9-8.0 HG3 MET 1 - HB3 GLU 48 far 0 60 0 - 7.4-10.7 HG3 MET 1 - HB2 GLU 99 far 0 92 0 - 7.6-13.0 HB3 TYR 4 - HB3 GLU 48 far 0 60 0 - 7.7-10.4 HG3 MET 1 - HB3 GLU 99 far 0 90 0 - 7.9-12.6 HB3 MET 21 - HB2 GLU 98 far 0 59 0 - 9.3-12.9 HG3 GLU 48 - HB3 GLU 43 far 0 74 0 - 9.7-12.9 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 2.2-4.1 4.7=87, 7619/3.9=60...(12) H GLY 100 + HB3 GLU 99 OK 99 99 100 99 2.9-4.1 4.7=87, 7619/3.9=60...(12) H GLY 100 + HB2 GLU 98 OK 63 100 70 90 4.6-6.0 7619/4.6=50, 7618/3.0=46...(8) H GLY 100 + HB3 GLU 98 OK 27 100 30 90 4.8-6.0 7619/4.6=50, 7618/3.0=46...(9) H TRP 92 - HB2 GLU 98 far 0 100 0 - 9.5-12.2 H TRP 92 - HB3 GLU 99 far 0 99 0 - 9.7-13.6 H TRP 92 - HB2 GLU 99 far 0 100 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 4413 from cnoeabs.peaks (4.51, 2.04, 29.37 ppm; 4.24 A): 3 out of 7 assignments used, quality = 0.99: HA PHE 96 + HB2 GLU 99 OK 89 99 95 94 2.8-6.3 4324=53, 11025/3.0=46...(6) * HA PHE 96 + HB3 GLU 99 OK 75 100 80 93 2.1-6.2 11025/3.0=46...(5) HA PHE 45 + HB3 GLU 48 OK 63 65 100 96 3.5-4.8 10190/6792=51...(7) HA PHE 96 - HB2 GLU 98 far 5 99 5 - 5.0-7.2 HA PHE 96 - HB3 GLU 98 far 0 99 0 - 6.4-7.6 HA PHE 45 - HB3 GLU 43 far 0 60 0 - 7.3-7.8 HA LYS 33 - HB2 GLU 35 far 0 47 0 - 8.4-10.1 Violated in 1 structures by 0.01 A. Peak 4414 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.30 A): 4 out of 10 assignments used, quality = 1.00: * H GLU 99 + HB3 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(9) H GLU 99 + HB2 GLU 99 OK 95 99 100 96 2.2-3.6 3.9=62, 4428/3.0=42...(10) H GLU 99 + HB3 GLU 98 OK 82 99 100 82 2.5-4.0 4.6=37, 7595/4.0=37...(8) H GLU 99 + HB2 GLU 98 OK 80 99 95 85 2.0-4.5 4.6=37, 7595/4.0=37...(12) H TYR 41 - HB3 GLU 43 far 0 41 0 - 5.1-5.7 H LYS 66 - HB2 GLU 35 far 0 56 0 - 6.3-10.7 H TYR 41 - HB2 GLU 35 far 0 38 0 - 9.0-10.7 H GLU 28 - HB3 GLU 48 far 0 66 0 - 9.6-12.5 HE ARG 30 - HB3 GLU 43 far 0 61 0 - 9.7-14.4 HE ARG 30 - HB3 GLU 48 far 0 66 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.31 A): 3 out of 12 assignments used, quality = 1.00: * HA GLU 99 + HB3 GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 99 + HB2 GLU 99 OK 99 99 100 100 2.4-3.0 3.0=100 HA GLU 99 + HB3 GLU 98 OK 30 99 45 68 3.9-4.6 3.0/4414=12, 4401=12...(15) HA GLU 99 - HB2 GLU 98 poor 20 99 20 - 4.0-5.6 HA LYS 47 - HB3 GLU 48 far 0 56 0 - 5.6-6.4 HA MET 1 - HB3 GLU 48 far 0 39 0 - 5.7-9.2 HA GLU 104 - HB3 GLU 99 far 0 100 0 - 6.7-12.9 HA GLU 104 - HB2 GLU 99 far 0 99 0 - 7.7-12.8 HA LYS 47 - HB3 GLU 43 far 0 51 0 - 8.1-9.6 HA GLU 62 - HB2 GLU 35 far 0 57 0 - 8.9-13.1 HA MET 1 - HB2 GLU 99 far 0 68 0 - 9.3-15.1 HA MET 1 - HB3 GLU 99 far 0 70 0 - 9.7-14.8 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 96 100 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB2 GLU 99 OK 95 99 100 96 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB3 GLU 98 OK 91 98 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 98 + HB2 GLU 98 OK 91 98 100 93 2.3-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 35 + HB2 GLU 35 OK 41 43 100 97 2.3-3.0 2.9=82, 1558/1.8=21...(23) HG3 GLU 35 + HB2 GLU 35 OK 41 43 100 97 2.4-3.0 2.9=82, 1558/1.8=21...(23) HG2 GLU 43 + HB3 GLU 43 OK 33 37 100 90 2.2-2.9 3.0=77, 6695/4.0=15...(14) HG2 GLU 99 - HB3 GLU 98 far 10 99 10 - 3.1-6.7 HG2 GLU 99 - HB2 GLU 98 poor 6 99 25 26 3.2-7.6 7611/4.6=16, 4384/4.0=6...(4) HB2 GLU 95 - HB2 GLU 99 far 0 93 0 - 3.8-7.7 HB2 GLU 95 - HB2 GLU 98 far 0 92 0 - 4.1-6.8 HB2 GLU 95 - HB3 GLU 99 far 0 95 0 - 4.3-7.9 HB2 GLU 95 - HB3 GLU 98 far 0 93 0 - 5.2-7.7 HG2 MET 1 - HB2 GLU 99 far 0 86 0 - 5.9-12.2 HG2 GLU 98 - HB3 GLU 99 far 0 100 0 - 5.9-8.6 HG2 GLU 98 - HB2 GLU 99 far 0 99 0 - 6.0-8.3 HG2 MET 1 - HB3 GLU 99 far 0 88 0 - 6.2-12.7 HG2 MET 1 - HB3 GLU 48 far 0 53 0 - 6.2-11.1 HB2 GLU 63 - HB2 GLU 35 far 0 44 0 - 7.7-10.2 HG2 GLU 37 - HB2 GLU 35 far 0 29 0 - 7.8-8.8 HG2 MET 1 - HB2 GLU 98 far 0 85 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 4419 from cnoeabs.peaks (2.44, 2.04, 29.37 ppm; 3.07 A): 5 out of 17 assignments used, quality = 1.00: * HG3 GLU 99 + HB3 GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 65 65 100 100 2.5-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 64 64 100 100 2.2-3.0 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 poor 7 99 25 27 3.4-6.1 4428/4.6=22, 4.7/4420=4 HG3 GLU 99 - HB3 GLU 98 far 5 99 5 - 3.9-7.1 HG3 GLN 50 - HB3 GLU 48 far 3 65 5 - 3.7-8.2 HG3 GLU 98 - HB3 GLU 99 far 0 68 0 - 4.5-8.5 HG2 GLN 50 - HB3 GLU 48 far 0 34 0 - 4.9-8.1 HG3 GLU 98 - HB2 GLU 99 far 0 66 0 - 5.9-8.0 HG3 MET 1 - HB3 GLU 48 far 0 56 0 - 7.4-10.7 HG3 MET 1 - HB2 GLU 99 far 0 90 0 - 7.6-13.0 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 7.7-10.4 HG3 MET 1 - HB3 GLU 99 far 0 92 0 - 7.9-12.6 HB3 MET 21 - HB2 GLU 98 far 0 56 0 - 9.3-12.9 HG3 GLU 48 - HB3 GLU 43 far 0 59 0 - 9.7-12.9 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 2.9-4.1 4.7=87, 7619/3.9=60...(12) H GLY 100 + HB2 GLU 99 OK 99 99 100 99 2.2-4.1 4.7=87, 7619/3.9=60...(12) H GLY 100 + HB2 GLU 98 OK 62 99 70 90 4.6-6.0 7619/4.6=50, 7618/3.0=46...(8) H GLY 100 + HB3 GLU 98 OK 27 99 30 90 4.8-6.0 7619/4.6=50, 7618/3.0=46...(9) H TRP 92 - HB2 GLU 98 far 0 99 0 - 9.5-12.2 H TRP 92 - HB3 GLU 99 far 0 100 0 - 9.7-13.6 H TRP 92 - HB2 GLU 99 far 0 99 0 - 9.8-13.7 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 2.0-4.0 7611=91, 4428/1.8=79...(11) H GLU 99 + HG2 GLU 98 OK 68 99 70 98 3.9-5.2 3.6/4365=63...(12) H LYS 20 - HG2 GLU 17 far 0 76 0 - 5.9-7.7 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 5 assignments used, quality = 1.00: * HA GLU 99 + HG2 GLU 99 OK 100 100 100 100 2.3-3.7 4402=100, 3.0/7611=57...(19) HA PRO 86 - HG2 GLU 17 poor 12 47 25 - 4.3-7.1 HA LYS 13 - HG2 GLU 17 poor 11 50 60 37 3.7-6.2 6244/6257=16...(4) HA GLU 99 - HG2 GLU 98 far 0 99 0 - 6.0-6.7 HA GLU 104 - HG2 GLU 99 far 0 100 0 - 6.6-13.7 Violated in 0 structures by 0.00 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 97 100 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 94 99 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(11) HB3 GLU 98 + HG2 GLU 98 OK 94 99 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(10) HB3 GLU 17 + HG2 GLU 17 OK 39 41 100 95 2.3-2.9 3.0=82, 2.9/729=26...(11) HB3 GLU 98 - HG2 GLU 99 far 15 100 15 - 3.1-6.7 HB2 GLU 98 - HG2 GLU 99 poor 7 100 25 27 3.2-7.6 4.6/7611=17, 4.0/4384=6...(4) HB2 GLU 16 - HG2 GLU 17 far 2 48 5 - 3.1-6.8 HB3 GLU 99 - HG2 GLU 98 far 0 99 0 - 5.9-8.6 HB2 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.0-8.3 HB3 LYS 94 - HG2 GLU 98 far 0 89 0 - 6.3-8.2 HB2 MET 21 - HG2 GLU 17 far 0 74 0 - 7.2-9.5 HB3 LYS 94 - HG2 GLU 99 far 0 91 0 - 7.5-11.1 HG12 ILE 93 - HG2 GLU 17 far 0 75 0 - 9.1-12.4 HB3 GLU 88 - HG2 GLU 17 far 0 45 0 - 9.3-12.9 HG12 ILE 93 - HG2 GLU 99 far 0 100 0 - 9.8-13.3 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 15 assignments used, quality = 1.00: * HB3 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 98 + HG2 GLU 98 OK 93 99 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(10) HB2 GLU 98 + HG2 GLU 98 OK 93 99 100 95 2.3-3.0 3.0=81, 3.0/4365=36...(11) HB3 GLU 17 + HG2 GLU 17 OK 47 50 100 95 2.3-2.9 3.0=82, 2.9/729=26...(11) HB3 GLU 98 - HG2 GLU 99 far 15 100 15 - 3.1-6.7 HB2 GLU 98 - HG2 GLU 99 poor 7 100 25 27 3.2-7.6 4.6/7611=17, 4.0/4384=6...(4) HB2 GLU 16 - HG2 GLU 17 far 2 39 5 - 3.1-6.8 HB3 GLU 99 - HG2 GLU 98 far 0 99 0 - 5.9-8.6 HB2 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.0-8.3 HB3 LYS 94 - HG2 GLU 98 far 0 95 0 - 6.3-8.2 HB2 MET 21 - HG2 GLU 17 far 0 71 0 - 7.2-9.5 HB3 LYS 94 - HG2 GLU 99 far 0 96 0 - 7.5-11.1 HG12 ILE 93 - HG2 GLU 17 far 0 76 0 - 9.1-12.4 HG12 ILE 93 - HG2 GLU 99 far 0 100 0 - 9.8-13.3 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 10 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 - 5.1-8.2 HG3 GLU 99 - HG2 GLU 98 far 0 99 0 - 5.6-8.6 HG3 MET 21 - HG2 GLU 17 far 0 39 0 - 6.4-9.8 HB3 MET 21 - HG2 GLU 17 far 0 38 0 - 7.3-10.5 HG3 MET 1 - HG2 GLU 99 far 0 92 0 - 8.7-15.0 HB2 ASP 11 - HG2 GLU 17 far 0 75 0 - 8.8-10.0 HB3 MET 21 - HG2 GLU 98 far 0 58 0 - 9.5-13.3 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 2.1-5.3 4.7=100 H GLY 100 + HG2 GLU 98 OK 29 99 30 99 6.1-7.3 7619/4.9=72...(7) H ASP 87 + HG2 GLU 17 OK 26 74 55 64 5.0-8.6 9902/3.0=29, 4434/1.8=23...(5) H TRP 92 - HG2 GLU 99 far 0 100 0 - 9.0-11.9 H TRP 92 - HG2 GLU 17 far 0 76 0 - 9.1-12.6 H TRP 92 - HG2 GLU 98 far 0 99 0 - 9.8-12.8 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 4 assignments used, quality = 0.99: * H GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.1-3.9 7611/1.8=74, 7612=68...(9) H LYS 20 - HG3 GLU 17 far 0 98 0 - 6.1-7.7 HE ARG 30 - HG3 GLU 48 far 0 79 0 - 9.4-15.9 H GLU 28 - HG3 GLU 48 far 0 79 0 - 9.5-12.6 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 2.2-3.9 4.1=86, 4402/1.8=77...(28) HA LYS 13 + HG3 GLU 17 OK 31 71 80 55 3.8-5.5 6244/6258=20...(7) HA PRO 86 + HG3 GLU 17 OK 29 67 55 79 3.7-7.8 2.3/12333=26...(13) HA LYS 47 - HG3 GLU 48 far 7 68 10 - 4.5-7.1 HA MET 1 - HG3 GLU 48 far 0 48 0 - 5.8-10.2 HA GLU 104 - HG3 GLU 99 far 0 100 0 - 7.8-13.8 Violated in 0 structures by 0.00 A. Peak 4430 from cnoeabs.peaks (2.04, 2.44, 36.00 ppm; 2.88 A): 4 out of 16 assignments used, quality = 1.00: * HB2 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.2-3.0 3.0=91, 3.9/4428=24...(19) HB3 GLU 99 + HG3 GLU 99 OK 98 100 100 99 2.4-3.0 3.0=91, 3.9/4428=24...(17) HB3 GLU 48 + HG3 GLU 48 OK 78 79 100 99 2.2-3.0 3.0=88, 2241/1.8=38...(19) HB3 GLU 17 + HG3 GLU 17 OK 58 60 100 98 2.2-3.0 3.0=88, 748/1.8=35...(13) HB2 GLU 98 - HG3 GLU 99 poor 20 100 20 - 3.4-6.1 HB3 GLU 98 - HG3 GLU 99 far 0 100 0 - 3.9-7.1 HB2 GLU 16 - HG3 GLU 17 far 0 69 0 - 4.2-6.3 HB2 GLN 50 - HG3 GLU 48 far 0 68 0 - 6.3-8.9 HB3 LYS 94 - HG3 GLU 99 far 0 91 0 - 7.4-11.5 HB2 MET 21 - HG3 GLU 17 far 0 97 0 - 7.5-9.9 HG3 GLU 28 - HG3 GLU 48 far 0 68 0 - 7.6-13.4 HG2 GLU 28 - HG3 GLU 48 far 0 68 0 - 8.4-12.3 HG12 ILE 93 - HG3 GLU 99 far 0 100 0 - 8.9-13.7 HG12 ILE 93 - HG3 GLU 17 far 0 97 0 - 9.1-12.0 HB3 GLU 88 - HG3 GLU 17 far 0 65 0 - 9.4-13.1 HB3 GLU 43 - HG3 GLU 48 far 0 67 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4431 from cnoeabs.peaks (2.04, 2.44, 36.00 ppm; 2.88 A): 4 out of 19 assignments used, quality = 1.00: * HB3 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.4-3.0 3.0=91, 3.9/4428=24...(17) HB2 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.2-3.0 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, 2241/1.8=38...(19) HB3 GLU 17 + HG3 GLU 17 OK 70 71 100 99 2.2-3.0 3.0=88, 748/1.8=44...(13) HB2 GLU 98 - HG3 GLU 99 poor 20 100 20 - 3.4-6.1 HB3 GLU 98 - HG3 GLU 99 far 0 100 0 - 3.9-7.1 HB2 GLU 16 - HG3 GLU 17 far 0 58 0 - 4.2-6.3 HB3 GLU 44 - HG3 GLU 48 far 0 44 0 - 5.6-9.1 HB2 GLN 50 - HG3 GLU 48 far 0 74 0 - 6.3-8.9 HB2 GLU 44 - HG3 GLU 48 far 0 44 0 - 6.5-10.3 HB3 LYS 94 - HG3 GLU 99 far 0 96 0 - 7.4-11.5 HB2 MET 21 - HG3 GLU 17 far 0 94 0 - 7.5-9.9 HG3 GLU 28 - HG3 GLU 48 far 0 60 0 - 7.6-13.4 HG2 GLU 28 - HG3 GLU 48 far 0 60 0 - 8.4-12.3 HB3 MET 1 - HG3 GLU 48 far 0 47 0 - 8.5-12.6 HG12 ILE 93 - HG3 GLU 99 far 0 100 0 - 8.9-13.7 HG12 ILE 93 - HG3 GLU 17 far 0 98 0 - 9.1-12.0 HB3 GLU 43 - HG3 GLU 48 far 0 59 0 - 9.7-12.9 HB3 MET 1 - HG3 GLU 99 far 0 68 0 - 9.9-15.2 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 HB2 GLU 95 - HG3 GLU 99 poor 19 95 20 - 2.9-7.2 HG3 PRO 86 - HG3 GLU 17 far 0 80 0 - 3.5-7.7 HG2 GLU 98 - HG3 GLU 99 far 0 100 0 - 5.6-8.6 HG2 MET 1 - HG3 GLU 48 far 0 64 0 - 7.0-12.2 HG2 MET 1 - HG3 GLU 99 far 0 88 0 - 7.8-14.3 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 4 assignments used, quality = 1.00: * H GLY 100 + HG3 GLU 99 OK 100 100 100 100 2.8-5.2 4.7=100 H ASP 87 + HG3 GLU 17 OK 32 97 40 83 5.0-8.7 3.9/12333=32...(9) H TRP 92 - HG3 GLU 99 far 0 100 0 - 9.2-12.1 H TRP 92 - HG3 GLU 17 far 0 98 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 4435 from cnoeabs.peaks (8.14, 3.87, 45.30 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 100 + HA2 GLY 100 OK 100 100 100 100 2.5-2.9 2.9=100 H GLY 100 - HA2 GLY 101 far 8 82 10 - 4.6-5.4 H GLY 100 - HA3 GLY 101 far 0 47 0 - 4.9-5.8 H HIS 106 - HA3 GLY 101 far 0 42 0 - 9.5-16.0 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 - HA3 GLY 101 far 0 47 0 - 4.4-5.2 HA3 GLY 100 - HA2 GLY 101 far 0 82 0 - 4.4-5.0 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 2.4-3.6 3.6=100 H GLY 101 + HA2 GLY 101 OK 82 82 100 100 2.4-3.0 3.0=100 H SER 102 + HA2 GLY 101 OK 47 47 100 100 2.1-3.6 3.6=100 H GLY 101 + HA3 GLY 101 OK 47 47 100 100 2.3-3.0 3.0=100 H SER 102 + HA3 GLY 101 OK 25 25 100 100 2.3-3.6 3.6=100 H SER 102 - HA2 GLY 100 far 7 65 10 - 3.6-7.0 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 1 assignment used, quality = 1.00: * H GLY 100 + HA3 GLY 100 OK 100 100 100 100 2.3-3.0 2.9=100 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 5 assignments used, quality = 1.00: * HA2 GLY 100 + HA3 GLY 100 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 101 - HA3 GLY 100 far 0 82 0 - 4.4-5.2 HA2 GLY 101 - HA3 GLY 100 far 0 100 0 - 4.4-5.0 HB2 SER 102 - HA3 GLY 100 far 0 81 0 - 6.2-9.6 HA LYS 94 - HA3 GLY 100 far 0 100 0 - 9.4-11.1 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): 1 out of 2 assignments used, quality = 1.00: * H GLY 101 + HA3 GLY 100 OK 100 100 100 100 2.6-3.6 3.6=100 H SER 102 - HA3 GLY 100 poor 20 65 30 - 4.4-6.9 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 2.4-3.6 3.6=100 H SER 102 + HA2 GLY 101 OK 65 65 100 100 2.1-3.6 3.6=100 H GLY 101 + HA3 GLY 101 OK 65 65 100 100 2.3-3.0 3.0=100 H SER 102 + HA3 GLY 101 OK 36 36 100 100 2.3-3.6 3.6=100 H SER 102 - HA2 GLY 100 far 5 47 10 - 3.6-7.0 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 2.1-3.6 3.6=100 H SER 102 + HA3 GLY 101 OK 65 65 100 100 2.3-3.6 3.6=100 H GLY 101 + HA2 GLY 101 OK 65 65 100 100 2.4-3.0 3.0=100 H GLY 101 + HA2 GLY 100 OK 47 47 100 100 2.4-3.6 3.6=100 H GLY 101 + HA3 GLY 101 OK 36 36 100 100 2.3-3.0 3.0=100 H SER 102 - HA2 GLY 100 far 8 82 10 - 3.6-7.0 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 2.3-3.0 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 52 65 100 79 2.3-3.6 3.6=71, 4.6/7633=12...(5) H GLY 101 + HA2 GLY 100 OK 40 47 100 85 2.4-3.6 3.6=70, 7629/2.9=39...(4) H SER 102 + HA2 GLY 101 OK 28 36 100 80 2.1-3.6 3.6=71, 7640/1.8=13...(5) H SER 102 - HA2 GLY 100 far 2 25 10 - 3.6-7.0 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 84 100 100 84 2.3-3.6 3.6=75, 7638/1.8=20...(5) H GLY 101 + HA3 GLY 101 OK 65 65 100 100 2.3-3.0 3.0=100 H SER 102 + HA2 GLY 101 OK 56 65 100 85 2.1-3.6 3.6=75, 7640/1.8=25...(5) 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 82 2.4-3.6 3.6=74, 7629/2.9=22...(4) H SER 102 - HA2 GLY 100 far 5 47 10 - 3.6-7.0 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 24 65 80 45 4.0-6.1 ~7640=14, ~7638=14...(6) 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): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 102 + HA SER 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 101 - HA SER 102 far 0 81 0 - 4.3-4.8 HA3 GLY 101 - HA SER 102 far 0 100 0 - 4.4-4.8 HA2 GLY 100 - HA SER 102 far 0 81 0 - 5.7-8.1 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 2.3-3.0 3.0=100 HA SER 97 - HA SER 102 far 0 100 0 - 8.5-11.7 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 2.1-3.1 7645=100, 7646/3.0=42...(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): 1 out of 2 assignments used, quality = 1.00: * H SER 102 + HB2 SER 102 OK 100 100 100 100 2.5-3.9 4.0=100 H GLY 101 - HB2 SER 102 poor 11 65 45 37 3.7-7.3 4.6/7640=20, 4451/3.0=14 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 4 assignments used, quality = 1.00: * HA SER 102 + HB2 SER 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 81 - HB2 SER 102 far 0 94 0 - 7.1-18.8 HA GLN 50 - HB2 SER 102 far 0 94 0 - 8.7-19.1 HA HIS 106 - HB2 SER 102 far 0 82 0 - 9.1-14.3 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 - 8.3-13.1 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 1 assignment used, quality = 1.00: * H LEU 103 + HB2 SER 102 OK 100 100 100 100 1.9-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 4461 from cnoeabs.peaks (8.06, 3.81, 63.54 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H SER 102 + HB3 SER 102 OK 100 100 100 100 2.1-4.1 4.0=100 H GLY 101 - HB3 SER 102 poor 9 65 70 21 3.6-7.2 4451/3.0=13, 4456/1.8=7 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 3 assignments used, quality = 1.00: * HA SER 102 + HB3 SER 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 81 - HB3 SER 102 far 0 94 0 - 7.4-19.0 HA HIS 106 - HB3 SER 102 far 0 82 0 - 9.9-14.7 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 4 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 100 - HB3 SER 102 far 0 81 0 - 3.8-9.3 HA2 GLY 101 - HB3 SER 102 far 0 81 0 - 4.0-6.5 HA3 GLY 101 - HB3 SER 102 far 0 100 0 - 4.7-6.6 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 1.9-4.5 4.5=100 H LYS 94 - HB3 SER 102 far 0 88 0 - 9.6-18.3 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 1 assignment used, quality = 1.00: * H LEU 103 + HA LEU 103 OK 100 100 100 100 2.3-2.9 3.0=100 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 4 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.3-2.9 3.0=100 HG LEU 103 + HA LEU 103 OK 95 100 95 100 2.1-4.3 3.7=71, 2.1/4499=65...(19) HB2 ARG 79 - HA LEU 103 far 0 96 0 - 6.0-13.4 HD3 LYS 53 - HA LEU 103 far 0 71 0 - 7.0-11.9 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 4 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 79 - HA LEU 103 far 0 98 0 - 5.7-12.8 HG2 ARG 79 - HA LEU 103 far 0 99 0 - 6.1-14.4 HD3 LYS 53 - HA LEU 103 far 0 79 0 - 7.0-11.9 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 4 assignments used, quality = 1.00: HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.3-2.9 3.0=100 * HG LEU 103 + HA LEU 103 OK 94 100 95 99 2.1-4.3 3.7=62, 2.1/4499=60...(19) HB2 ARG 79 - HA LEU 103 far 0 94 0 - 6.0-13.4 HD3 LYS 53 - HA LEU 103 far 0 77 0 - 7.0-11.9 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 4 assignments used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.0-3.7 4499=92, 4501/3.0=33...(20) QD1 LEU 103 + HA LEU 103 OK 61 61 100 99 1.9-4.0 2.1/4499=62, 3.9=53...(20) QD2 LEU 57 - HA LEU 103 far 0 75 0 - 9.2-16.4 QD1 LEU 57 - HA LEU 103 far 0 100 0 - 9.6-16.5 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 1.9-4.0 2.1/4499=75, 3.9=74...(20) QD2 LEU 103 + HA LEU 103 OK 61 61 100 100 2.0-3.7 3.9=74, 2.1/4470=37...(20) QG2 ILE 76 - HA LEU 103 far 0 93 0 - 8.7-17.2 QD1 LEU 57 - HA LEU 103 far 0 63 0 - 9.6-16.5 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 2 assignments used, quality = 1.00: * H GLU 104 + HA LEU 103 OK 100 100 100 100 2.2-3.4 7657=100, 7548/3.0=65...(7) H PHE 96 - HA LEU 103 far 0 100 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 4474 from cnoeabs.peaks (8.29, 1.58, 42.02 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.5-4.0 4.0=95, 7650/1.8=83...(13) 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 2.3-2.9 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 4 assignments used, quality = 1.00: * HB3 LEU 103 + HB2 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 79 - HB2 LEU 103 far 0 99 0 - 5.8-13.2 HG3 ARG 79 - HB2 LEU 103 far 0 98 0 - 5.9-13.5 HD3 LYS 53 - HB2 LEU 103 far 0 79 0 - 6.9-13.0 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 2 assignments used, quality = 1.00: * QD2 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 103 + HB2 LEU 103 OK 61 61 100 100 1.9-3.2 3.1=100 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 2 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 2.1-3.2 3.1=100 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 3.8-4.6 4.3=100 H PHE 96 - HB2 LEU 103 far 0 100 0 - 9.7-17.2 H SER 97 - HB2 LEU 103 far 0 100 0 - 9.7-17.2 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 1 assignment used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.6-3.8 4.0=100 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 2.6-3.0 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 4 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 90 100 100 90 2.3-3.0 4493=54, 2.1/4501=25...(15) HB2 ARG 79 - HB3 LEU 103 far 0 96 0 - 6.4-14.5 HD3 LYS 53 - HB3 LEU 103 far 0 71 0 - 8.2-13.2 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 4 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 90 100 100 90 2.3-3.0 4493=54, 2.1/4501=25...(15) HB2 ARG 79 - HB3 LEU 103 far 0 94 0 - 6.4-14.5 HD3 LYS 53 - HB3 LEU 103 far 0 77 0 - 8.2-13.2 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 3 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 61 61 100 100 2.1-3.2 3.1=100 QD1 LEU 57 - HB3 LEU 103 far 0 100 0 - 9.4-16.9 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 3 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 103 + HB3 LEU 103 OK 61 61 100 100 2.1-3.2 3.1=100 QD1 LEU 57 - HB3 LEU 103 far 0 63 0 - 9.4-16.9 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 2 assignments used, quality = 1.00: * H GLU 104 + HB3 LEU 103 OK 100 100 100 100 3.2-4.3 4.3=100 H PHE 96 - HB3 LEU 103 far 0 100 0 - 9.1-16.5 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 1 assignment used, quality = 1.00: * H LEU 103 + HG LEU 103 OK 100 100 100 100 2.0-4.7 7650/4493=81...(12) Violated in 1 structures by 0.00 A. Peak 4491 from cnoeabs.peaks (4.30, 1.58, 27.00 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-4.3 3.7=100 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): 1 out of 4 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=38...(18) HG3 ARG 79 - HG LEU 103 far 0 98 0 - 4.7-13.2 HG2 ARG 79 - HG LEU 103 far 0 99 0 - 6.0-14.3 HD3 LYS 53 - HG LEU 103 far 0 79 0 - 6.7-12.7 Violated in 1 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 QD1 LEU 57 - HG LEU 103 far 0 100 0 - 9.0-18.3 QD2 LEU 57 - HG LEU 103 far 0 75 0 - 9.1-17.1 QD2 LEU 2 - HG LEU 103 far 0 94 0 - 9.4-15.8 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 4 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 0 63 0 - 9.0-18.3 QG2 ILE 76 - HG LEU 103 far 0 93 0 - 9.1-17.0 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 3 assignments used, quality = 1.00: * H GLU 104 + HG LEU 103 OK 100 100 100 100 4.2-5.9 7661/2.1=100...(9) H PHE 96 - HG LEU 103 far 5 100 5 - 7.3-17.3 H SER 97 - HG LEU 103 far 0 100 0 - 8.9-18.0 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 2.0-4.9 4.7=100 H PHE 45 - QD2 LEU 2 far 0 41 0 - 7.2-9.1 H LEU 103 - QD2 LEU 2 far 0 57 0 - 8.9-15.3 H ALA 71 - QD2 LEU 103 far 0 82 0 - 10.0-19.9 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 2 assignments used, quality = 0.99: * HA LEU 103 + QD2 LEU 103 OK 99 100 100 99 2.0-3.7 4471=62, 4472/2.1=36...(21) HA GLU 28 - QD2 LEU 2 far 0 55 0 - 8.4-10.4 Violated in 2 structures by 0.03 A. Peak 4500 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.17 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-3.2 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 far 5 96 5 - 4.0-13.3 HD3 LYS 53 - QD2 LEU 2 far 0 34 0 - 5.1-7.3 HB2 LEU 3 - QD2 LEU 2 far 0 35 0 - 5.3-6.0 HG3 LYS 47 - QD2 LEU 2 far 0 30 0 - 5.5-10.2 HB3 GLU 28 - QD2 LEU 2 far 0 46 0 - 6.1-8.3 HD3 LYS 53 - QD2 LEU 103 far 0 71 0 - 6.4-10.9 HG LEU 27 - QD2 LEU 2 far 0 53 0 - 8.0-9.8 HG LEU 103 - QD2 LEU 2 far 0 57 0 - 9.4-15.8 HB2 ARG 79 - QD2 LEU 2 far 0 52 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 4501 from cnoeabs.peaks (1.52, 0.83, 23.17 ppm; 3.03 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-3.2 3.1=92, 4493/2.1=64...(19) HG LEU 2 + QD2 LEU 2 OK 56 56 100 100 2.1-2.1 2.1=100 HD3 LYS 53 - QD2 LEU 2 far 0 39 0 - 5.1-7.3 HG3 ARG 79 - QD2 LEU 103 far 0 98 0 - 5.2-11.6 HB2 LEU 3 - QD2 LEU 2 far 0 37 0 - 5.3-6.0 HG2 LYS 47 - QD2 LEU 2 far 0 35 0 - 5.5-10.0 HG2 ARG 79 - QD2 LEU 103 far 0 99 0 - 5.9-12.4 HD3 LYS 53 - QD2 LEU 103 far 0 79 0 - 6.4-10.9 HG2 ARG 79 - QD2 LEU 2 far 0 54 0 - 8.7-12.5 HG12 ILE 56 - QD2 LEU 103 far 0 99 0 - 9.3-18.4 HG3 ARG 79 - QD2 LEU 2 far 0 54 0 - 9.4-12.5 HG LEU 6 - QD2 LEU 2 far 0 57 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.07 A): 2 out of 10 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 2.1-3.2 3.1=95, 3.0/4499=45...(19) HB2 ARG 79 - QD2 LEU 103 far 0 94 0 - 4.0-13.3 HD3 LYS 53 - QD2 LEU 2 far 0 37 0 - 5.1-7.3 HB2 LEU 3 - QD2 LEU 2 far 0 39 0 - 5.3-6.0 HB3 GLU 28 - QD2 LEU 2 far 0 49 0 - 6.1-8.3 HD3 LYS 53 - QD2 LEU 103 far 0 77 0 - 6.4-10.9 HG LEU 27 - QD2 LEU 2 far 0 51 0 - 8.0-9.8 HG LEU 103 - QD2 LEU 2 far 0 57 0 - 9.4-15.8 HB2 ARG 79 - QD2 LEU 2 far 0 49 0 - 9.8-13.0 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 5 assignments used, quality = 1.00: * H GLU 104 + QD2 LEU 103 OK 100 100 100 100 3.6-5.1 4.9=100 H PHE 96 - QD2 LEU 103 far 0 100 0 - 7.5-14.4 H SER 97 - QD2 LEU 103 far 0 100 0 - 8.4-14.8 H LEU 27 - QD2 LEU 2 far 0 43 0 - 9.1-10.6 H SER 97 - QD2 LEU 2 far 0 57 0 - 10.0-11.4 Violated in 1 structures by 0.01 A. Peak 4506 from cnoeabs.peaks (8.29, 0.86, 25.07 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.8-4.4 4.7=100 H PHE 45 - QD1 LEU 2 far 0 46 0 - 6.8-10.0 H ALA 71 - QD2 LEU 64 far 0 42 0 - 9.2-10.0 H LYS 94 - QD1 LEU 103 far 0 88 0 - 9.4-18.5 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 3 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-4.0 3.9=100 HA ASP 65 + QD2 LEU 64 OK 56 56 100 100 4.2-4.4 9503=90, 9501/2.1=69...(25) HA GLU 28 - QD1 LEU 2 far 0 63 0 - 8.0-10.1 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 14 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, ~4493=36...(19) HD3 LYS 82 + QD2 LEU 64 OK 32 51 75 84 2.5-4.7 3.5/9758=25...(13) HB2 ARG 79 - QD1 LEU 103 far 5 96 5 - 2.3-13.7 HD3 LYS 53 - QD1 LEU 103 far 0 71 0 - 4.7-11.9 HG3 LYS 47 - QD1 LEU 2 far 0 34 0 - 5.3-10.6 HB3 GLU 28 - QD1 LEU 2 far 0 52 0 - 5.9-8.1 HB2 LEU 3 - QD1 LEU 2 far 0 40 0 - 6.6-7.3 HD3 LYS 53 - QD1 LEU 2 far 0 39 0 - 7.4-9.3 HB2 ARG 79 - QD2 LEU 64 far 0 54 0 - 8.0-10.1 HD2 LYS 66 - QD2 LEU 64 far 0 53 0 - 8.2-10.2 HG LEU 27 - QD1 LEU 2 far 0 60 0 - 8.6-10.4 HD2 LYS 94 - QD1 LEU 103 far 0 59 0 - 8.8-20.2 HD3 LYS 94 - QD1 LEU 103 far 0 98 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 4509 from cnoeabs.peaks (1.52, 0.86, 25.07 ppm; 3.12 A): 3 out of 19 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 2 + QD1 LEU 2 OK 63 63 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 36 36 100 100 2.4-2.6 3.1=99, 3.0/2805=36...(17) HG3 ARG 79 - QD1 LEU 103 far 5 98 5 - 3.8-12.6 HG2 ARG 79 - QD1 LEU 103 far 0 99 0 - 4.1-12.6 HD3 LYS 53 - QD1 LEU 103 far 0 79 0 - 4.7-11.9 HG2 LYS 47 - QD1 LEU 2 far 0 40 0 - 5.3-10.0 HB2 LEU 3 - QD1 LEU 2 far 0 43 0 - 6.6-7.3 HD3 LYS 53 - QD1 LEU 2 far 0 44 0 - 7.4-9.3 HG2 LYS 66 - QD2 LEU 64 far 0 37 0 - 7.5-9.1 HG12 ILE 56 - QD2 LEU 64 far 0 58 0 - 7.7-10.1 HG12 ILE 56 - QD1 LEU 103 far 0 99 0 - 8.4-19.0 HG2 ARG 79 - QD2 LEU 64 far 0 57 0 - 8.6-10.8 HG3 ARG 79 - QD2 LEU 64 far 0 56 0 - 8.6-11.0 HG3 LYS 66 - QD2 LEU 64 far 0 39 0 - 8.7-9.8 HB2 ARG 91 - QD1 LEU 103 far 0 63 0 - 9.1-20.3 HG LEU 57 - QD2 LEU 64 far 0 48 0 - 9.2-10.2 HG LEU 6 - QD1 LEU 2 far 0 65 0 - 9.9-12.3 HG3 ARG 30 - QD1 LEU 2 far 0 63 0 - 10.0-13.4 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 12 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 99 100 100 100 1.9-3.2 3.1=87, ~4493=34...(19) HD3 LYS 82 + QD2 LEU 64 OK 33 53 75 82 2.5-4.7 3.5/9758=24...(13) HB2 ARG 79 - QD1 LEU 103 far 5 94 5 - 2.3-13.7 HD3 LYS 53 - QD1 LEU 103 far 0 77 0 - 4.7-11.9 HB3 GLU 28 - QD1 LEU 2 far 0 55 0 - 5.9-8.1 HB2 LEU 3 - QD1 LEU 2 far 0 44 0 - 6.6-7.3 HD3 LYS 53 - QD1 LEU 2 far 0 43 0 - 7.4-9.3 HB2 ARG 79 - QD2 LEU 64 far 0 52 0 - 8.0-10.1 HD2 LYS 66 - QD2 LEU 64 far 0 51 0 - 8.2-10.2 HG LEU 27 - QD1 LEU 2 far 0 58 0 - 8.6-10.4 HD3 LYS 94 - QD1 LEU 103 far 0 96 0 - 9.8-20.6 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 6 assignments used, quality = 1.00: * H GLU 104 + QD1 LEU 103 OK 100 100 100 100 2.2-5.6 4.9=100 H LYS 68 + QD2 LEU 64 OK 39 39 100 100 5.5-6.0 10773/7052=78...(12) H PHE 96 - QD1 LEU 103 far 5 100 5 - 6.6-15.3 H SER 97 - QD1 LEU 103 far 0 100 0 - 7.7-14.9 H LEU 27 - QD1 LEU 2 far 0 49 0 - 9.3-10.8 H GLU 104 - QD2 LEU 64 far 0 60 0 - 9.7-20.3 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 1 assignment used, quality = 1.00: * H GLU 104 + HA GLU 104 OK 100 100 100 100 2.7-2.9 3.0=100 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 2 assignments used, quality = 1.00: * HB2 GLU 104 + HA GLU 104 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 53 - HA GLU 104 far 0 73 0 - 9.8-15.5 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 2 assignments used, quality = 1.00: * HB3 GLU 104 + HA GLU 104 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LYS 53 - HA GLU 104 far 0 79 0 - 9.8-15.5 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 2.1-3.9 4536=88, ~7667=37...(10) HB3 GLU 95 - HA GLU 104 far 0 99 0 - 9.7-17.0 Violated in 1 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (2.10, 4.13, 56.52 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 104 + HA GLU 104 OK 100 100 100 100 2.2-3.7 4.1=88, 1.8/4536=72...(11) 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 1 assignment used, quality = 1.00: * H GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.1-2.4 7664=100, 7665/1.8=84...(7) 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 4 assignments used, quality = 1.00: * HA GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.5-3.0 3.0=100 HA PRO 86 - HB2 GLU 88 far 0 53 0 - 4.7-5.4 HA GLU 99 - HB2 GLU 104 far 0 100 0 - 6.4-13.9 HB2 SER 59 - HB2 GLU 88 far 0 60 0 - 8.0-10.2 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 6 assignments used, quality = 1.00: * HB3 GLU 104 + HB2 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 90 - HB2 GLU 88 far 0 53 0 - 7.2-8.8 HB2 LYS 53 - HB2 GLU 104 far 0 79 0 - 7.3-15.3 HB3 LEU 14 - HB2 GLU 88 far 0 60 0 - 8.7-9.6 HB3 LYS 68 - HB2 GLU 104 far 0 100 0 - 9.4-24.4 HB2 LYS 68 - HB2 GLU 104 far 0 73 0 - 9.6-23.4 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 6 assignments used, quality = 1.00: * HG2 GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 88 + HB2 GLU 88 OK 89 89 100 100 2.5-3.0 3.0=100 HB VAL 83 + HB2 GLU 88 OK 54 55 100 99 1.9-2.6 2.1/9813=53, 3883/1.8=34...(25) HB2 PRO 86 - HB2 GLU 88 far 0 67 0 - 6.8-7.5 HB3 GLU 95 - HB2 GLU 104 far 0 99 0 - 8.1-16.5 HB3 GLU 95 - HB2 GLU 88 far 0 87 0 - 9.4-12.3 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 6 assignments used, quality = 1.00: * HG3 GLU 104 + HB2 GLU 104 OK 95 100 100 95 2.3-3.0 3.0=85, 4519/3.0=30...(5) HB VAL 83 + HB2 GLU 88 OK 81 84 100 97 1.9-2.6 2.1/9813=41, 9822=38...(26) HB3 GLU 88 + HB2 GLU 88 OK 78 78 100 100 1.8-1.8 1.8=100 HB3 PRO 86 - HB2 GLU 88 far 0 89 0 - 6.6-7.4 HB2 PRO 86 - HB2 GLU 88 far 0 76 0 - 6.8-7.5 QE MET 21 - HB2 GLU 88 far 0 90 0 - 9.7-11.1 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 2 assignments used, quality = 1.00: * H GLU 104 + HB3 GLU 104 OK 100 100 100 100 3.2-3.6 7665=100, 7664/1.8=90...(7) H LEU 27 - HB2 ARG 19 far 0 43 0 - 7.8-10.6 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 2.3-2.7 3.0=100 HA GLU 23 - HB2 ARG 19 far 0 48 0 - 6.2-9.2 HA GLU 99 - HB3 GLU 104 far 0 100 0 - 7.6-15.4 HA LYS 13 - HB2 ARG 19 far 0 40 0 - 7.8-10.4 HA LYS 24 - HB2 ARG 19 far 0 43 0 - 9.6-12.2 HA PRO 86 - HB2 ARG 19 far 0 31 0 - 9.6-12.5 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 7 assignments used, quality = 1.00: * HB2 GLU 104 + HB3 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 90 - HB2 ARG 19 far 0 43 0 - 8.1-12.5 HB2 LYS 90 - HB2 ARG 19 far 0 58 0 - 8.4-12.5 HB ILE 93 - HB2 ARG 19 far 0 57 0 - 8.5-10.4 HB2 LYS 53 - HB3 GLU 104 far 0 73 0 - 8.8-16.5 HB3 LEU 57 - HB2 ARG 19 far 0 53 0 - 9.3-11.8 HB2 LYS 68 - HB3 GLU 104 far 0 79 0 - 9.6-23.2 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): 1 out of 5 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 23 - HB2 ARG 19 far 0 57 0 - 5.1-8.5 HB3 GLU 16 - HB2 ARG 19 far 0 50 0 - 5.3-7.6 HB3 GLU 95 - HB3 GLU 104 far 0 99 0 - 9.5-18.0 HB2 PRO 86 - HB2 ARG 19 far 0 40 0 - 9.7-12.6 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 8 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 far 0 46 0 - 4.8-6.9 HB2 GLU 23 - HB2 ARG 19 far 0 55 0 - 6.2-9.2 HG3 GLU 28 - HB2 ARG 19 far 0 33 0 - 7.6-12.4 QE MET 21 - HB2 ARG 19 far 0 58 0 - 8.0-8.6 HG2 GLU 28 - HB2 ARG 19 far 0 33 0 - 8.8-12.2 HB3 PRO 86 - HB2 ARG 19 far 0 57 0 - 9.5-12.5 HB2 PRO 86 - HB2 ARG 19 far 0 46 0 - 9.7-12.6 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 4 assignments used, quality = 1.00: * H GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.4-4.7 7667/1.8=85, 7664/3.0=80...(6) H LYS 68 + HG2 GLU 69 OK 47 51 100 92 4.1-5.0 7122/5.1=36, 9533=35...(15) H GLU 43 + HG2 GLU 44 OK 35 79 60 74 3.7-6.4 6704/6713=55...(4) H PHE 96 - HG2 GLU 104 far 0 100 0 - 9.7-17.5 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 2.1-3.9 4518=100, 4519/1.8=78...(11) HA GLU 62 - HG2 GLU 69 far 0 75 0 - 6.9-8.7 HA LYS 47 - HG2 GLU 44 far 0 86 0 - 7.6-9.8 HA GLN 72 - HG2 GLU 69 far 0 54 0 - 8.1-9.6 HA GLU 99 - HG2 GLU 104 far 0 100 0 - 8.2-14.4 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 12 assignments used, quality = 1.00: * HB2 GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 poor 11 53 20 - 4.1-5.9 HB2 LEU 42 - HG2 GLU 44 far 0 94 0 - 6.0-8.5 HG2 ARG 46 - HG2 GLU 44 far 0 87 0 - 6.3-10.3 HG3 ARG 46 - HG2 GLU 44 far 0 80 0 - 6.8-9.7 HB2 LYS 68 - HG2 GLU 104 far 0 79 0 - 8.6-22.9 HB VAL 78 - HG2 GLU 44 far 0 70 0 - 8.8-13.4 HB2 LYS 39 - HG2 GLU 44 far 0 91 0 - 8.9-12.6 HB2 LYS 53 - HG2 GLU 104 far 0 73 0 - 9.1-16.9 HB2 LYS 39 - HG2 GLU 69 far 0 72 0 - 9.7-13.0 HB3 GLU 63 - HG2 GLU 69 far 0 50 0 - 9.8-10.7 HB VAL 78 - HG2 GLU 69 far 0 53 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 4538 from cnoeabs.peaks (1.87, 2.15, 35.78 ppm; 3.33 A): 1 out of 11 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 far 11 76 15 - 4.0-5.9 HB2 LYS 68 - HG2 GLU 69 far 5 48 10 - 4.1-5.9 HB2 GLU 43 - HG2 GLU 44 far 0 57 0 - 4.6-7.4 HB3 LYS 66 - HG2 GLU 69 far 0 73 0 - 5.2-6.9 HG LEU 42 - HG2 GLU 44 far 0 74 0 - 6.4-8.6 HB3 LYS 39 - HG2 GLU 44 far 0 93 0 - 8.2-11.9 HB VAL 54 - HG2 GLU 44 far 0 88 0 - 8.3-10.8 HB2 LYS 68 - HG2 GLU 104 far 0 73 0 - 8.6-22.9 HB3 LYS 68 - HG2 GLU 104 far 0 100 0 - 8.8-24.0 HB2 LYS 53 - HG2 GLU 104 far 0 79 0 - 9.1-16.9 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 13 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 2.2-2.6 3.0=52, 3100/1.8=16...(13) HB3 GLU 69 + HG2 GLU 69 OK 44 53 100 83 2.8-3.0 3.0=52, 3100/1.8=16...(12) HB3 GLU 43 - HG2 GLU 44 far 0 63 0 - 3.7-6.6 HB3 GLU 35 - HG2 GLU 69 far 0 67 0 - 6.8-10.8 HG2 GLU 28 - HG2 GLU 44 far 0 61 0 - 7.3-11.8 HB2 LEU 64 - HG2 GLU 69 far 0 69 0 - 8.0-8.7 HB3 GLU 37 - HG2 GLU 44 far 0 71 0 - 8.2-11.3 HG3 GLU 28 - HG2 GLU 44 far 0 61 0 - 8.4-11.8 HB3 GLU 62 - HG2 GLU 69 far 0 73 0 - 8.7-11.0 HB3 LEU 38 - HG2 GLU 69 far 0 58 0 - 8.9-11.7 HB2 MET 74 - HG2 GLU 44 far 0 59 0 - 9.2-11.5 HB3 LEU 38 - HG2 GLU 44 far 0 76 0 - 9.9-12.7 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 4 assignments used, quality = 1.00: * H GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.9-4.1 7667=100, 7664/3.0=89...(7) H LYS 68 + HG2 GLU 69 OK 32 36 100 89 4.1-5.0 7122/5.1=43...(13) H LYS 68 - HG3 GLU 104 far 0 77 0 - 9.9-27.3 H PHE 96 - HG3 GLU 104 far 0 100 0 - 9.9-18.5 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 2.2-3.7 4.1=100 HA GLU 62 - HG2 GLU 69 far 0 55 0 - 6.9-8.7 HA GLU 99 - HG3 GLU 104 far 0 100 0 - 7.1-15.5 HA GLN 72 - HG2 GLU 69 far 0 38 0 - 8.1-9.6 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 8 assignments used, quality = 1.00: * HB2 GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 poor 9 37 25 - 4.1-5.9 HB2 LYS 68 - HG3 GLU 104 far 0 79 0 - 7.5-24.5 HB2 LYS 53 - HG3 GLU 104 far 0 73 0 - 8.5-16.1 HB VAL 78 - HG3 GLU 104 far 0 79 0 - 9.2-21.8 HB2 LYS 39 - HG2 GLU 69 far 0 53 0 - 9.7-13.0 HB3 GLU 63 - HG2 GLU 69 far 0 35 0 - 9.8-10.7 HB VAL 78 - HG2 GLU 69 far 0 37 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 4545 from cnoeabs.peaks (1.87, 2.10, 35.78 ppm; 3.47 A): 1 out of 7 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 poor 17 56 30 - 4.0-5.9 HB2 LYS 68 - HG2 GLU 69 far 5 34 15 - 4.1-5.9 HB3 LYS 66 - HG2 GLU 69 far 0 54 0 - 5.2-6.9 HB3 LYS 68 - HG3 GLU 104 far 0 100 0 - 7.4-25.6 HB2 LYS 68 - HG3 GLU 104 far 0 73 0 - 7.5-24.5 HB2 LYS 53 - HG3 GLU 104 far 0 79 0 - 8.5-16.1 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 6 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 2.2-2.6 3.0=52, 3100/1.8=20...(12) HB3 GLU 69 + HG2 GLU 69 OK 37 45 100 81 2.8-3.0 3.0=52, 3100/1.8=20...(11) HB2 GLN 72 - HG2 GLU 69 far 0 50 0 - 6.6-8.7 HB2 LEU 64 - HG2 GLU 69 far 0 31 0 - 8.0-8.7 HB3 GLU 95 - HG3 GLU 104 far 0 99 0 - 8.1-18.2 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 1 assignment used, quality = 1.00: * H HIS 106 + HA HIS 105 OK 100 100 100 100 2.1-3.6 3.6=100 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 1 assignment used, quality = 1.00: * HB2 HIS 105 + HA HIS 105 OK 100 100 100 100 2.4-3.0 3.0=100 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 4 assignments used, quality = 0.93: * HB3 HIS 105 + HA HIS 105 OK 93 100 100 93 2.3-2.7 3.0=92, 11097/3.6=12 HB3 HIS 106 - HA HIS 105 far 0 99 0 - 4.3-5.7 HD2 ARG 79 - HA HIS 105 far 0 100 0 - 7.0-15.9 HD3 ARG 79 - HA HIS 105 far 0 99 0 - 7.4-14.8 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 3 assignments used, quality = 1.00: * H HIS 106 + HB2 HIS 106 OK 100 100 100 100 2.2-4.1 4.0=100 H TRP 92 + HB3 TRP 92 OK 75 75 100 100 3.3-3.6 4.0=100 H GLY 100 - HB3 TRP 92 far 0 77 0 - 9.3-12.0 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 ASP 77 - HB2 HIS 105 far 0 87 0 - 9.6-22.2 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 7 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 - 3.9-7.2 HB2 PHE 96 - HB2 TRP 92 far 0 35 0 - 6.2-7.1 HD3 ARG 79 - HB2 HIS 105 far 0 99 0 - 6.5-17.5 HD2 ARG 79 - HB2 HIS 105 far 0 100 0 - 7.2-18.4 HD3 ARG 79 - HB2 TRP 92 far 0 59 0 - 8.6-13.0 HD2 ARG 79 - HB2 TRP 92 far 0 59 0 - 9.8-12.7 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 2 assignments used, quality = 1.00: * H HIS 106 + HB3 HIS 105 OK 99 100 100 99 1.9-4.7 4.7=96, 3.6/4552=83, 2.9/11095=8 H HIS 106 + HB3 HIS 106 OK 97 97 100 100 2.5-3.7 4.0=100 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 3 assignments used, quality = 1.00: * HA HIS 105 + HB3 HIS 105 OK 100 100 100 100 2.3-2.7 3.0=100 HA HIS 105 - HB3 HIS 106 far 0 97 0 - 4.3-5.7 HA ASP 77 - HB3 HIS 105 far 0 87 0 - 9.5-20.8 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 2 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 - 3.9-7.2 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 2.3-3.2 3.7=100 HA LEU 3 + QD TYR 4 OK 96 96 100 100 2.8-4.0 99/4.5=79, 8062=48...(24) HA VAL 54 + QD TYR 4 OK 96 96 100 100 3.8-4.7 10204/2.5=84...(23) HA VAL 5 + QD TYR 4 OK 63 63 100 100 5.8-5.9 3.0/6050=91, ~6049=64...(11) Violated in 0 structures by 0.00 A. Peak 5502 from cnoeabs.peaks (2.29, 6.43, 132.25 ppm; 6.02 A): 3 out of 4 assignments used, quality = 1.00: * HB2 TYR 4 + QD TYR 4 OK 100 100 100 100 2.3-2.5 2.5=100 HB2 GLU 48 + QD TYR 4 OK 39 100 40 98 6.4-8.2 8130/2.2=44...(14) HB2 TYR 41 + QD TYR 4 OK 29 88 45 73 5.5-7.5 8230/8209=52...(5) HG2 GLU 23 - QD TYR 4 far 0 91 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (2.46, 6.43, 132.25 ppm; 5.35 A): 1 out of 3 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 far 4 79 5 - 5.5-7.9 HG3 GLN 50 - QD TYR 4 far 0 82 0 - 9.2-12.5 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 2.0-2.9 3.7=100 HA GLU 44 - QD TYR 41 far 0 99 0 - 6.2-7.5 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 5 assignments used, quality = 1.00: * HB2 TYR 41 + QD TYR 41 OK 100 100 100 100 2.3-2.7 2.5=100 HG3 GLU 44 + QD TYR 41 OK 46 59 85 91 3.8-6.8 3.0/8988=55, 4.8/8984=51...(10) HB2 TYR 4 - QD TYR 41 far 4 88 5 - 6.2-7.7 HG3 GLU 43 - QD TYR 41 far 0 99 0 - 6.7-8.8 HG2 GLU 48 - QD TYR 41 far 0 93 0 - 9.9-12.7 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 2.3-2.7 2.5=100 HD2 ARG 30 + QD TYR 41 OK 67 67 100 100 3.8-5.6 ~8710=54, ~8897=47...(20) HG3 MET 74 - QD TYR 41 far 0 96 0 - 8.4-11.7 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 1.9-2.2 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 2.3-2.4 2.5=100 HB3 PHE 45 + QD PHE 45 OK 95 95 100 100 2.7-2.8 2.5=100 HE2 LYS 47 - QD PHE 45 poor 20 98 20 - 3.7-9.1 HE3 LYS 47 - QD PHE 45 far 10 98 10 - 5.4-10.3 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 2.7-2.8 2.5=100 HB2 PHE 45 + QD PHE 45 OK 95 95 100 100 2.3-2.4 2.5=100 HE2 LYS 47 - QD PHE 45 poor 20 99 20 - 3.7-9.1 HE3 LYS 47 - QD PHE 45 far 10 99 10 - 5.4-10.3 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): 2 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.4-4.5 4.5=100 HA VAL 83 + HD1 TRP 92 OK 80 90 90 100 4.8-7.5 3.2/9796=86, 3.2/9782=69...(11) 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 3 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.5-3.6 3.9=100 HB2 PHE 96 - HD1 TRP 92 far 0 100 0 - 8.3-9.2 HD3 ARG 79 - HD1 TRP 92 far 0 82 0 - 9.6-13.9 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 1 assignment used, quality = 1.00: * HB3 TRP 92 + HD1 TRP 92 OK 100 100 100 100 3.5-3.7 3.9=100 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 lone 8 68 75 16 3.8-7.7 2.4/14640=11, 9275/9276=5 HZ PHE 96 - HE3 TRP 92 far 0 100 0 - 7.7-10.7 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 - 7.0-10.6 H ARG 91 - HZ3 TRP 92 far 0 53 0 - 8.9-10.2 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 - 7.4-11.4 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 - 7.2-10.8 H ARG 91 - HH2 TRP 92 far 0 53 0 - 9.2-11.0 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 3 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 - 5.7-11.2 HZ PHE 96 - HH2 TRP 92 far 0 95 0 - 9.2-14.6 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 - 9.2-11.0 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 2.2-2.7 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): 3 out of 7 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.3 2.4=100 HD2 ARG 79 + QD PHE 96 OK 71 82 90 95 4.3-6.8 3.0/8705=38...(13) HD3 ARG 79 + QD PHE 96 OK 65 85 80 95 3.4-7.0 3.0/8705=38...(13) HB2 TRP 92 - QD PHE 96 far 5 100 5 - 6.2-7.4 HB3 ASN 26 - QD PHE 96 far 0 73 0 - 8.7-11.0 HB3 HIS 105 - QD PHE 96 far 0 70 0 - 9.0-15.4 HB2 HIS 105 - QD PHE 96 far 0 84 0 - 9.6-16.4 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 2.5-2.7 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 - 5.0-10.5 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 5 97 5 - 5.0-10.5 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 3.2-6.2 3.5/8005=82, 3.5/8006=76...(23) H SER 49 - HA MET 1 far 0 71 0 - 8.3-11.1 Violated in 5 structures by 0.07 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 4.4-4.6 3.0/8=94, 77/8010=69...(9) HA GLU 48 - HA MET 1 far 0 73 0 - 7.0-10.3 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 = 0.44: HA ASN 51 + HA MET 1 OK 44 99 45 99 4.6-7.1 3.0/8005=72, 3.0/8006=65...(19) Violated in 19 structures by 0.99 A. Peak 8004 from cnoeabs.peaks (5.33, 4.16, 54.51 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.59: HA ILE 52 + HA MET 1 OK 59 100 60 99 4.5-6.5 8044/8=66, 8033/37=52...(10) Violated in 19 structures by 0.84 A. Peak 8005 from cnoeabs.peaks (2.93, 4.16, 54.51 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.94: HB2 ASN 51 + HA MET 1 OK 94 94 100 100 2.2-4.6 9131=77, 1.8/8006=67...(15) Violated in 2 structures by 0.02 A. Peak 8006 from cnoeabs.peaks (2.67, 4.16, 54.51 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.99: HB3 ASN 51 + HA MET 1 OK 99 99 100 100 2.4-4.7 9134=94, 1.8/8005=88...(23) Violated in 1 structures by 0.00 A. Peak 8007 from cnoeabs.peaks (1.69, 4.16, 54.51 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 2 + HA MET 1 OK 100 100 100 100 4.1-5.6 4.0/8=81, 3.1/8010=70...(13) HB ILE 52 - HA MET 1 far 13 87 15 - 5.3-8.4 HB3 LYS 53 - HA MET 1 far 0 99 0 - 7.2-9.0 Violated in 3 structures by 0.05 A. Peak 8008 from cnoeabs.peaks (1.50, 4.16, 54.51 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.98: HG LEU 2 + HA MET 1 OK 98 99 100 100 5.1-5.7 2.1/8010=85, 6012/8=80...(11) HG3 LYS 53 - HA MET 1 far 7 65 10 - 5.5-9.5 HG2 LYS 47 - HA MET 1 far 0 98 0 - 9.7-15.6 Violated in 10 structures by 0.09 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 4.2-5.8 1.8/8007=90, 4.0/8=88...(15) HG LEU 3 + HA MET 1 OK 85 85 100 100 4.9-6.1 ~8013=56, ~8012=55...(14) HB3 LEU 27 - HA MET 1 far 0 92 0 - 9.7-11.8 QB ALA 25 - HA MET 1 far 0 96 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 8010 from cnoeabs.peaks (0.80, 4.16, 54.51 ppm; 5.05 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 2 + HA MET 1 OK 100 100 100 100 2.9-3.6 2.1/8008=69, 4.7/8=68...(18) QG2 ILE 52 - HA MET 1 far 4 84 5 - 5.9-8.4 QD1 LEU 27 - HA MET 1 far 0 65 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 8011 from cnoeabs.peaks (0.25, 1.94, 32.61 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 3 + HB2 MET 1 OK 94 99 95 100 4.4-6.2 8022/3.0=89, 8018/3.0=87...(18) QD2 LEU 3 - HB2 LYS 94 far 0 42 0 - 9.9-11.4 Violated in 6 structures by 0.09 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 2.7-5.9 8013/1.8=83, 8021/3.0=82...(19) QD1 LEU 55 - HB2 LYS 94 far 0 35 0 - 8.0-10.5 QD1 LEU 3 - HB2 LYS 94 far 0 44 0 - 8.1-10.8 Violated in 10 structures by 0.20 A. Peak 8013 from cnoeabs.peaks (0.46, 2.00, 32.61 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.85: QD1 LEU 3 + HB3 MET 1 OK 85 100 85 100 3.3-6.6 8012/1.8=78, 8021/3.0=78...(21) QD1 LEU 55 - HB3 LYS 94 far 0 30 0 - 7.6-9.8 QD1 LEU 3 - HB3 LYS 94 far 0 43 0 - 8.5-10.7 Violated in 9 structures by 0.35 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 3.8-6.4 8022/3.0=98, 8011/1.8=97...(21) QD2 LEU 3 - HB3 LYS 94 far 0 38 0 - 9.7-11.3 Violated in 2 structures by 0.01 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 99 99 100 100 2.9-5.2 2.1/8018=91, 8117=87...(24) HB3 LEU 2 + HG2 MET 1 OK 34 87 40 99 5.5-7.2 4.0/6006=56, 3.1/8058=43...(15) HB3 LEU 27 - HG2 MET 1 far 0 68 0 - 8.1-10.8 QB ALA 25 - HG2 MET 1 far 0 77 0 - 8.4-11.3 Violated in 1 structures by 0.00 A. Peak 8016 from cnoeabs.peaks (1.47, 2.20, 30.51 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.86: HG3 LYS 53 + HG2 MET 1 OK 55 100 55 100 3.5-7.4 12159=91, 11033/8117=43...(17) HD2 LYS 53 + HG2 MET 1 OK 54 98 55 100 3.7-8.1 3.0/12161=69...(19) HG2 LYS 53 + HG2 MET 1 OK 35 99 35 99 4.5-6.6 1.8/12161=84, ~8027=35...(18) HG13 ILE 52 - HG2 MET 1 far 0 96 0 - 6.5-8.1 HB2 LEU 27 - HG2 MET 1 far 0 96 0 - 9.5-12.3 Violated in 7 structures by 0.05 A. Peak 8017 from cnoeabs.peaks (0.45, 2.20, 30.51 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.79: QD1 LEU 3 + HG2 MET 1 OK 79 99 80 100 2.1-5.6 2.1/8018=83, 8021/1.8=81...(22) Violated in 6 structures by 0.26 A. Peak 8018 from cnoeabs.peaks (0.25, 2.20, 30.51 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 3 + HG2 MET 1 OK 85 100 85 100 2.1-5.2 8100=89, 8022/1.8=79...(23) Violated in 6 structures by 0.18 A. Peak 8019 from cnoeabs.peaks (1.47, 2.42, 30.51 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.80: HD2 LYS 53 + HG3 MET 1 OK 49 98 50 100 3.9-8.3 9192/8022=54...(24) HG3 LYS 53 + HG3 MET 1 OK 44 100 45 98 3.5-7.5 12160/1.8=70...(16) HG2 LYS 53 + HG3 MET 1 OK 30 99 30 100 4.6-6.8 ~12162=56, ~12161=56...(26) HG13 ILE 52 - HG3 MET 1 far 0 96 0 - 6.3-9.1 Violated in 7 structures by 0.17 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 3.2-5.4 2.1/8022=97, 2.1/8021=92...(23) HB3 LEU 2 + HG3 MET 1 OK 34 70 50 98 5.7-7.4 4.0/6007=56, ~8058=35...(15) 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 1 assignment used, quality = 0.74: QD1 LEU 3 + HG3 MET 1 OK 74 99 75 100 2.9-5.7 2.1/8022=83, 8017/1.8=74...(23) Violated in 8 structures by 0.34 A. Peak 8022 from cnoeabs.peaks (0.25, 2.42, 30.51 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 3 + HG3 MET 1 OK 94 99 95 100 2.5-5.5 8099=80, 8018/1.8=71...(25) Violated in 6 structures by 0.19 A. Peak 8023 from cnoeabs.peaks (1.47, 1.98, 16.19 ppm; 3.48 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + QE MET 1 OK 94 100 100 94 3.0-4.4 3.0/8027=43...(21) HG3 LYS 53 + QE MET 1 OK 80 100 85 94 1.9-4.7 3.0/8027=43...(17) HD2 LYS 53 + QE MET 1 OK 71 99 75 96 1.9-5.0 1.8/8027=54, 12114=37...(15) HG13 ILE 52 - QE MET 1 far 0 99 0 - 5.7-6.9 HB2 LEU 27 - QE MET 1 far 0 99 0 - 9.7-11.4 QB ALA 22 - QE MET 1 far 0 73 0 - 9.9-11.3 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 3.6-5.2 2.1/8026=100...(21) HB3 LEU 2 + QE MET 1 OK 23 79 30 98 5.8-7.8 3.1/8028=48...(11) QB ALA 25 - QE MET 1 far 0 68 0 - 8.5-10.0 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 3.9-4.5 2.1/8026=84, 8021/3.3=60...(27) QD1 LEU 55 - QE MET 1 far 0 95 0 - 8.2-9.9 Violated in 10 structures by 0.02 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 2.2-4.1 8101=64, 2.1/8025=60...(29) Violated in 1 structures by 0.01 A. Peak 8027 from cnoeabs.peaks (1.53, 1.98, 16.19 ppm; 4.14 A): 1 out of 7 assignments used, quality = 0.86: HD3 LYS 53 + QE MET 1 OK 86 87 100 100 2.0-4.8 1.8/12114=58, 12115=40...(22) HG LEU 2 - QE MET 1 far 5 98 5 - 4.6-7.7 HB2 LEU 3 - QE MET 1 far 0 85 0 - 5.5-6.9 HG2 ARG 79 - QE MET 1 far 0 100 0 - 7.4-10.6 HG3 ARG 79 - QE MET 1 far 0 100 0 - 7.4-11.0 HB3 LEU 103 - QE MET 1 far 0 100 0 - 8.1-12.2 HB3 GLU 28 - QE MET 1 far 0 68 0 - 8.7-11.3 Violated in 5 structures by 0.09 A. Peak 8028 from cnoeabs.peaks (0.79, 1.98, 16.19 ppm; 4.81 A): 2 out of 7 assignments used, quality = 0.98: QD2 LEU 2 + QE MET 1 OK 94 95 100 99 2.8-4.9 8010/37=46, 8058/3.3=38...(20) QG2 ILE 52 + QE MET 1 OK 71 98 75 97 4.8-5.9 3.2/8033=65, 4.0/8037=55...(10) QD2 LEU 103 - QE MET 1 far 0 68 0 - 5.8-10.5 QD1 LEU 27 - QE MET 1 far 0 88 0 - 6.8-7.9 QG1 VAL 54 - QE MET 1 far 0 77 0 - 7.8-9.3 QD2 LEU 42 - QE MET 1 far 0 85 0 - 9.1-10.9 QD1 ILE 76 - QE MET 1 far 0 99 0 - 9.1-11.3 Violated in 0 structures by 0.00 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 93 100 100 94 2.0-4.3 3.0/8027=43, 12116=38...(13) HE3 LYS 53 + QE MET 1 OK 83 99 90 93 1.9-4.8 3.0/8027=43, 12116=36...(13) Violated in 2 structures by 0.03 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 1.9-2.8 3.0/8032=63, 9131/37=41...(16) HB3 PHE 45 - QE MET 1 far 0 92 0 - 8.2-10.0 HB2 PHE 45 - QE MET 1 far 0 65 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 8031 from cnoeabs.peaks (3.87, 1.98, 16.19 ppm; 5.11 A): 3 out of 5 assignments used, quality = 0.98: HA2 GLY 100 + QE MET 1 OK 89 100 100 89 3.6-5.6 12051/8025=64...(10) HA2 GLY 101 + QE MET 1 OK 62 100 95 66 2.3-6.2 1.8/10100=32, 10100=18...(10) HA3 GLY 101 + QE MET 1 OK 57 87 90 73 2.2-6.9 10100=30, 1.8/10100=19...(10) HB2 SER 102 - QE MET 1 far 9 85 10 - 3.0-10.4 HB3 SER 49 - QE MET 1 far 0 98 0 - 8.7-10.7 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 = 0.96: HA ASN 51 + QE MET 1 OK 96 100 100 96 2.1-4.0 3.0/8030=57...(11) Violated in 0 structures by 0.00 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 3.6-4.8 9159=73, 3.0/8037=65...(16) Violated in 2 structures by 0.00 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 4.3-6.1 8033/3.3=73, 9160=69...(17) Violated in 10 structures by 0.15 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 4.2-6.6 8034/1.8=93, 8033/3.3=84...(15) Violated in 2 structures by 0.04 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 2.4-5.4 3.5/8030=86, 4.4/8032=76...(15) H GLU 98 - QE MET 1 far 0 82 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 8037 from cnoeabs.peaks (7.49, 1.98, 16.19 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: H ILE 52 + QE MET 1 OK 100 100 100 100 3.9-5.0 6854/8032=76...(13) Violated in 5 structures by 0.03 A. Peak 8038 from cnoeabs.peaks (6.97, 1.98, 16.19 ppm; 5.43 A): 2 out of 2 assignments used, quality = 1.00: HD21 ASN 51 + QE MET 1 OK 99 99 100 100 3.8-5.8 3.5/8030=83, 1.7/8036=78...(12) QE PHE 96 + QE MET 1 OK 49 98 50 99 5.5-6.7 8072/8026=76...(12) Violated in 0 structures by 0.00 A. Peak 8039 from cnoeabs.peaks (6.45, 1.70, 43.59 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 4 + HB2 LEU 2 OK 99 100 100 99 2.2-4.7 8155/1.8=59, 8157/3.1=47...(21) QD TYR 4 - HB2 LEU 2 far 10 98 10 - 3.8-6.2 Violated in 14 structures by 0.19 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 98 99 100 99 2.4-4.9 8039/1.8=71, 8155=56...(19) QD TYR 4 + HB3 LEU 2 OK 85 100 85 100 4.0-6.4 2.2/8155=52, ~8039=47...(26) Violated in 2 structures by 0.04 A. Peak 8041 from cnoeabs.peaks (6.45, 0.81, 23.49 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + QD2 LEU 2 OK 99 100 100 99 1.9-4.4 8039/3.1=57, 8157/2.1=52...(25) QD TYR 4 + QD2 LEU 2 OK 92 97 95 100 3.2-5.1 ~8157=36, ~8039=33...(29) Violated in 1 structures by 0.00 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 99 100 100 99 2.0-4.4 8039/3.1=52, 8157=49...(22) QD TYR 4 + QD1 LEU 2 OK 49 99 50 99 4.1-5.9 2.2/8157=46, 8041/2.1=32...(27) Violated in 10 structures by 0.15 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 5.1-6.1 8046/3.0=95, 8047/3.0=91...(10) 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 = 0.50: HA ILE 52 + HB2 LEU 2 OK 50 99 50 100 4.9-6.1 8047/1.8=67, 3.8/8051=55...(18) Violated in 20 structures by 0.98 A. Peak 8047 from cnoeabs.peaks (5.33, 1.33, 43.59 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.94: HA ILE 52 + HB3 LEU 2 OK 94 99 95 100 4.4-6.1 8046/1.8=89, 8044/4.0=62...(21) Violated in 12 structures by 0.22 A. Peak 8048 from cnoeabs.peaks (5.40, 0.81, 23.49 ppm; 4.35 A): 0 out of 0 assignments used, quality = 0.00: 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 3.4-4.4 3.8/12039=82, 12272=78...(19) HA THR 80 - QD1 LEU 103 far 0 51 0 - 7.1-17.5 HA ILE 52 - QD1 LEU 103 far 0 57 0 - 8.9-16.2 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 3.0-4.6 2.1/8084=69, 132/6018=69...(11) 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 = 0.74: HG12 ILE 52 + HB2 LEU 2 OK 74 99 75 100 4.2-7.4 2.1/12275=71...(18) Violated in 19 structures by 0.80 A. Peak 8052 from cnoeabs.peaks (1.04, 1.33, 43.59 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.85: HG12 ILE 52 + HB3 LEU 2 OK 85 100 85 100 3.4-7.6 8051/1.8=91, ~12275=64...(19) Violated in 5 structures by 0.30 A. Peak 8053 from cnoeabs.peaks (2.01, 0.88, 24.80 ppm; 3.91 A): 2 out of 16 assignments used, quality = 0.80: HB3 GLU 48 + QD1 LEU 2 OK 61 65 95 99 1.9-5.0 1.8/9038=47, 3.0/9042=46...(20) HB3 MET 1 + QD1 LEU 2 OK 47 99 50 96 4.4-7.4 ~8010=26, 3.0/8054=25...(19) QE MET 1 - QD1 LEU 2 poor 17 68 25 - 4.6-6.9 HB2 GLN 50 - QD1 LEU 2 far 15 98 15 - 4.3-7.1 HB3 GLU 99 - QD1 LEU 103 far 7 48 15 - 2.5-11.1 HB2 GLU 99 - QD1 LEU 103 far 6 40 15 - 1.9-12.3 QE MET 1 - QD1 LEU 103 far 0 36 0 - 5.1-10.2 HB2 GLU 98 - QD1 LEU 103 far 0 39 0 - 5.8-15.0 HB3 GLU 98 - QD1 LEU 103 far 0 40 0 - 5.8-15.2 HB3 GLU 44 - QD1 LEU 2 far 0 99 0 - 6.9-11.5 HB2 GLU 44 - QD1 LEU 2 far 0 99 0 - 6.9-11.5 HB2 ARG 46 - QD1 LEU 2 far 0 63 0 - 8.4-11.2 HB3 MET 1 - QD1 LEU 103 far 0 63 0 - 8.5-15.4 HB2 GLN 50 - QD1 LEU 103 far 0 61 0 - 9.5-18.5 QE MET 74 - QD1 LEU 2 far 0 99 0 - 9.7-12.5 HB3 LYS 94 - QD1 LEU 103 far 0 61 0 - 9.8-19.6 Violated in 5 structures by 0.04 A. Peak 8054 from cnoeabs.peaks (2.21, 0.88, 24.80 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.73: HB3 GLN 50 + QD1 LEU 2 OK 50 73 70 97 3.8-6.9 1.8/10629=58...(13) HG2 MET 1 + QD1 LEU 2 OK 46 99 50 93 3.2-7.2 6006/4.7=36, 8058/2.1=35...(12) HG2 GLU 99 - QD1 LEU 103 poor 12 59 20 - 4.1-13.5 HB2 GLU 95 - QD1 LEU 103 far 3 65 5 - 4.2-16.7 HG2 GLU 98 - QD1 LEU 103 far 0 63 0 - 7.6-16.6 HG2 MET 1 - QD1 LEU 103 far 0 63 0 - 7.7-14.8 HB3 GLN 72 - QD1 LEU 103 far 0 44 0 - 9.8-20.6 Violated in 10 structures by 0.05 A. Peak 8055 from cnoeabs.peaks (2.32, 0.88, 24.80 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.99: HG2 GLU 48 + QD1 LEU 2 OK 94 99 95 100 1.9-6.0 1.8/9042=73, 3.0/9038=52...(18) HB2 GLU 48 + QD1 LEU 2 OK 84 84 100 100 1.9-4.2 3.0/9042=59, 9038=53...(24) HD3 ARG 81 - QD1 LEU 103 far 0 58 0 - 5.8-15.7 HG3 GLU 44 - QD1 LEU 2 far 0 79 0 - 5.9-11.6 HB2 TYR 4 - QD1 LEU 2 far 0 71 0 - 6.1-8.7 HB2 TYR 41 - QD1 LEU 2 far 0 99 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 8056 from cnoeabs.peaks (2.43, 0.88, 24.80 ppm; 4.18 A): 2 out of 9 assignments used, quality = 0.94: HG3 GLU 48 + QD1 LEU 2 OK 90 100 90 100 2.2-5.2 9042=77, 9043/2.1=64...(17) HG3 MET 1 + QD1 LEU 2 OK 46 99 50 93 3.3-7.1 1.8/8054=36, 6007/4.7=31...(14) HG3 GLU 99 - QD1 LEU 103 far 9 61 15 - 4.4-12.5 HG2 GLN 50 - QD1 LEU 2 far 8 84 10 - 3.9-8.0 HG3 GLN 50 - QD1 LEU 2 far 5 100 5 - 4.4-7.7 HB3 TYR 4 - QD1 LEU 2 far 0 73 0 - 6.1-8.8 HG2 GLN 72 - QD1 LEU 103 far 0 65 0 - 8.0-18.4 HG3 MET 1 - QD1 LEU 103 far 0 63 0 - 8.7-14.4 HG2 GLN 50 - QD1 LEU 103 far 0 48 0 - 9.3-18.7 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 13 assignments used, quality = 0.94: HB3 GLU 48 + QD2 LEU 2 OK 85 85 100 99 2.0-4.6 3.0/10430=49...(22) HB2 GLN 50 + QD2 LEU 2 OK 44 100 45 97 4.4-7.0 10629/2.1=51, ~12293=38...(17) HB3 MET 1 + QD2 LEU 2 OK 31 92 35 97 4.3-5.4 3.0/8010=44, 3.0/8058=33...(19) HB3 GLU 99 - QD2 LEU 103 poor 10 52 20 - 3.7-10.6 HB2 GLU 99 - QD2 LEU 103 far 7 47 15 - 3.8-11.7 HB3 GLU 98 - QD2 LEU 103 far 0 47 0 - 6.1-15.0 HB2 GLU 98 - QD2 LEU 103 far 0 46 0 - 6.2-14.6 HB2 GLU 44 - QD2 LEU 2 far 0 90 0 - 7.8-10.9 HB3 GLU 44 - QD2 LEU 2 far 0 90 0 - 8.2-11.3 HB2 GLN 50 - QD2 LEU 103 far 0 57 0 - 8.5-18.2 HB2 GLU 99 - QD2 LEU 2 far 0 91 0 - 8.7-12.1 HB3 GLU 99 - QD2 LEU 2 far 0 96 0 - 9.0-13.0 QE MET 74 - QD2 LEU 2 far 0 91 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 8058 from cnoeabs.peaks (2.19, 0.81, 23.49 ppm; 4.27 A): 2 out of 12 assignments used, quality = 0.98: HG2 MET 1 + QD2 LEU 2 OK 93 98 100 95 2.7-4.8 4.2/8010=39, 6006/4.7=36...(15) HB3 GLN 50 + QD2 LEU 2 OK 66 98 70 96 3.7-6.7 12293/2.1=49, ~10629=43...(11) HG2 GLU 99 - QD2 LEU 103 far 3 32 10 - 4.2-13.1 HG2 GLU 104 - QD2 LEU 103 far 1 27 5 - 4.8-8.2 HB2 GLU 95 - QD2 LEU 103 far 0 49 0 - 5.7-15.8 HB3 GLU 95 - QD2 LEU 103 far 0 40 0 - 6.6-15.2 HG2 GLU 98 - QD2 LEU 103 far 0 39 0 - 8.2-16.2 HB3 GLN 50 - QD2 LEU 103 far 0 54 0 - 9.2-18.7 HG2 MET 1 - QD2 LEU 103 far 0 54 0 - 9.4-14.4 HG2 GLU 99 - QD2 LEU 2 far 0 68 0 - 9.6-14.0 HB2 GLN 72 - QD2 LEU 103 far 0 45 0 - 9.6-18.8 HB3 GLU 75 - QD2 LEU 103 far 0 57 0 - 9.9-20.4 Violated in 1 structures by 0.00 A. Peak 8060 from cnoeabs.peaks (7.04, 5.13, 53.57 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.97: HZ PHE 96 + HA LEU 3 OK 86 87 100 100 4.1-5.9 2.2/8061=58, ~8068=51...(17) QD PHE 96 + HA LEU 3 OK 74 99 75 100 4.8-6.6 2.2/8061=58, ~8068=51...(15) 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 1 assignment used, quality = 1.00: QE PHE 96 + HA LEU 3 OK 100 100 100 100 3.3-4.8 8072/125=94, 8119/99=94...(22) 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 100 100 100 100 2.8-4.0 4.5/99=80, 2.2/8128=35...(24) QE TYR 4 + HA LEU 3 OK 97 99 100 99 3.8-4.5 8126/99=58, 8128=42...(18) Violated in 0 structures by 0.00 A. Peak 8064 from cnoeabs.peaks (8.47, 5.13, 53.57 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.99: H LYS 53 + HA LEU 3 OK 99 100 100 99 2.4-3.0 9178=64, 9182/125=54...(20) H VAL 54 - HA LEU 3 far 0 90 0 - 5.3-5.9 H ARG 79 - HA LEU 3 far 0 75 0 - 8.1-9.3 H LEU 29 - HA LEU 3 far 0 95 0 - 8.9-9.8 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 3.2-5.2 2.2/8066=81...(24) HZ PHE 96 + HB2 LEU 3 OK 56 87 65 100 2.8-6.6 2.2/8066=81, ~8068=65...(20) 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 1 assignment used, quality = 0.99: QE PHE 96 + HB2 LEU 3 OK 99 99 100 100 2.3-4.5 8068/1.8=85, 8072/3.1=76...(22) 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 3 assignments used, quality = 1.00: QD PHE 96 + HB3 LEU 3 OK 100 100 100 100 2.5-5.5 2.2/8068=83...(21) HZ PHE 96 + HB3 LEU 3 OK 59 70 85 100 3.4-6.3 2.2/8068=83, ~8066=58...(19) HZ3 TRP 92 - HB3 LEU 3 far 0 68 0 - 9.7-15.5 Violated in 0 structures by 0.00 A. Peak 8068 from cnoeabs.peaks (6.96, 1.15, 44.04 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 96 + HB3 LEU 3 OK 100 100 100 100 2.0-4.4 8066/1.8=72, 8072/3.1=70...(25) Violated in 0 structures by 0.00 A. Peak 8069 from cnoeabs.peaks (7.04, 1.30, 27.70 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.89: QD PHE 96 + HG LEU 3 OK 78 98 80 100 4.7-6.9 2.2/8070=87, ~8072=74...(19) HZ PHE 96 + HG LEU 3 OK 51 92 55 100 4.6-6.8 2.2/8070=87, ~8072=74...(17) Violated in 7 structures by 0.07 A. Peak 8070 from cnoeabs.peaks (6.96, 1.30, 27.70 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 96 + HG LEU 3 OK 100 100 100 100 4.2-5.8 8072/2.1=91, 8074/2.1=79...(23) HD21 ASN 51 - HG LEU 3 far 0 92 0 - 9.4-10.9 Violated in 13 structures by 0.23 A. Peak 8071 from cnoeabs.peaks (7.04, 0.26, 24.15 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 96 + QD2 LEU 3 OK 97 98 100 100 2.7-4.7 2.2/8072=68...(23) HZ PHE 96 + QD2 LEU 3 OK 93 93 100 100 2.4-4.0 2.2/8072=68, ~8074=36...(24) HZ3 TRP 92 - QD2 LEU 3 far 0 92 0 - 8.6-13.1 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 2.0-3.7 8074/2.1=55, 8070/2.1=51...(30) HD21 ASN 51 - QD2 LEU 3 far 0 96 0 - 7.4-9.3 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 3 assignments used, quality = 1.00: QD PHE 96 + QD1 LEU 3 OK 99 99 100 100 2.6-5.1 2.2/8074=77...(27) HZ PHE 96 + QD1 LEU 3 OK 82 87 95 100 4.8-5.8 2.2/8074=77, ~8072=62...(25) HZ3 TRP 92 - QD1 LEU 3 far 0 85 0 - 8.2-14.2 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 2 assignments used, quality = 1.00: QE PHE 96 + QD1 LEU 3 OK 100 100 100 100 3.4-4.8 8072/2.1=89, 8070/2.1=72...(32) HD21 ASN 51 - QD1 LEU 3 far 0 92 0 - 8.5-10.5 Violated in 1 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 3.4-5.3 10085=95, 2.9/12051=90...(12) 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 4 assignments used, quality = 1.00: H SER 97 + QD1 LEU 3 OK 100 100 100 100 3.9-5.8 3.0/8093=96...(16) H PHE 96 + QD1 LEU 3 OK 38 100 40 95 5.6-7.6 6.5/8074=42...(10) H LEU 27 + QD1 LEU 3 OK 30 88 35 99 5.8-6.9 3.0/8086=66...(6) H GLU 104 - QD1 LEU 3 far 0 100 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 8077 from cnoeabs.peaks (8.47, 0.46, 24.71 ppm; 5.42 A): 2 out of 5 assignments used, quality = 1.00: H LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.9-5.9 9182/2.1=98, 9181=97...(19) H LEU 2 + QD1 LEU 3 OK 67 68 100 100 3.7-5.9 3.0/8050=73, 4.6/132=70...(17) H VAL 54 - QD1 LEU 3 far 0 96 0 - 7.0-7.9 H LEU 29 - QD1 LEU 3 far 0 88 0 - 8.0-9.3 H ARG 79 - QD1 LEU 3 far 0 85 0 - 8.3-9.9 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 2.5-4.0 9182=98, 3.9/8114=58...(19) H LEU 2 + QD2 LEU 3 OK 43 68 65 99 3.9-6.3 4.6/6028=39, 3.0/8085=35...(17) H VAL 54 + QD2 LEU 3 OK 28 96 30 98 4.7-5.6 6887/8115=55...(13) H ARG 79 - QD2 LEU 3 far 0 85 0 - 6.1-7.7 H LEU 29 - QD2 LEU 3 far 0 88 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 8079 from cnoeabs.peaks (8.47, 1.30, 27.70 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: H LYS 53 + HG LEU 3 OK 100 100 100 100 3.5-5.3 9182/2.1=97, 8064/3.7=81...(15) H VAL 54 - HG LEU 3 far 0 91 0 - 6.5-8.5 H ARG 79 - HG LEU 3 far 0 77 0 - 9.4-11.3 H LEU 29 - HG LEU 3 far 0 94 0 - 10.0-11.3 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 3.8-6.3 1213/10132=93...(9) HA LEU 55 - HB2 LEU 3 far 0 96 0 - 7.3-9.6 Violated in 1 structures by 0.04 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 4.4-5.6 6018/4.0=92, 8050/3.1=81...(12) 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 4.3-5.6 8081/1.8=97, 6018/4.0=97...(11) HA ALA 25 - HB3 LEU 3 far 0 63 0 - 8.3-10.3 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 3.2-4.3 6018/116=80, 8050/2.1=77...(13) HA ALA 25 - HG LEU 3 far 0 63 0 - 8.6-10.9 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 3 assignments used, quality = 1.00: HA LEU 2 + QD2 LEU 3 OK 100 100 100 100 4.1-5.6 8050/2.1=95...(10) HA GLU 48 - QD2 LEU 3 far 0 63 0 - 9.2-11.0 HA ILE 76 - QD2 LEU 3 far 0 63 0 - 9.9-10.9 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 4.0-5.3 4.0/10137=78...(9) HA LEU 55 - QD1 LEU 3 far 0 84 0 - 7.7-9.1 Violated in 0 structures by 0.00 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 3.0-4.6 8050=88, 6018/132=78...(11) HA PHE 96 + QD1 LEU 3 OK 40 63 70 91 4.6-6.8 5.6/8074=41, 3.7/8073=32...(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 = 0.24: HB2 SER 97 + QD2 LEU 3 OK 24 95 25 100 5.1-6.6 3.0/8090=74, 8092/2.1=74...(10) HB2 SER 102 - QD2 LEU 3 far 0 59 0 - 6.3-10.3 Violated in 20 structures by 1.11 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 2.8-4.5 8093/2.1=85, 10067=68...(14) HB3 SER 102 - QD2 LEU 3 far 0 96 0 - 6.8-9.9 HA ALA 22 - QD2 LEU 3 far 0 100 0 - 7.9-9.1 HB3 SER 49 - QD2 LEU 3 far 0 75 0 - 9.7-11.8 Violated in 6 structures by 0.04 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 2.6-4.3 10090=99, 10089/2.1=79...(12) HA LEU 42 - QD2 LEU 3 far 0 94 0 - 9.9-11.2 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 = 0.95: HB2 SER 97 + QD1 LEU 3 OK 95 100 95 100 2.6-5.6 3.0/8093=84, 10080=78...(12) Violated in 5 structures by 0.08 A. Peak 8093 from cnoeabs.peaks (3.83, 0.46, 24.71 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.99: HA SER 97 + QD1 LEU 3 OK 99 99 100 100 1.9-3.4 10066=98, 8090/2.1=54...(14) HA ALA 22 - QD1 LEU 3 far 0 100 0 - 6.1-7.8 HB3 SER 102 - QD1 LEU 3 far 0 96 0 - 7.7-11.3 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 2.8-4.2 10089=99, 1.8/12051=91...(11) Violated in 0 structures by 0.00 A. Peak 8095 from cnoeabs.peaks (2.43, 0.46, 24.71 ppm; 4.81 A): 1 out of 6 assignments used, quality = 0.97: HG3 MET 1 + QD1 LEU 3 OK 97 97 100 100 2.9-5.7 8021=94, 8022/2.1=88...(23) HG3 GLU 99 - QD1 LEU 3 far 0 100 0 - 5.8-8.9 HB3 TYR 4 - QD1 LEU 3 far 0 84 0 - 7.1-7.8 HB3 MET 21 - QD1 LEU 3 far 0 71 0 - 8.3-11.5 HG3 GLU 48 - QD1 LEU 3 far 0 100 0 - 8.5-11.4 HG2 GLN 50 - QD1 LEU 3 far 0 73 0 - 9.9-13.4 Violated in 8 structures by 0.18 A. Peak 8096 from cnoeabs.peaks (2.20, 0.46, 24.71 ppm; 4.85 A): 1 out of 6 assignments used, quality = 1.00: HG2 MET 1 + QD1 LEU 3 OK 100 100 100 100 2.1-5.6 8017=98, 8018/2.1=90...(22) HG2 GLU 99 - QD1 LEU 3 far 0 85 0 - 5.7-9.1 HG2 GLU 98 - QD1 LEU 3 far 0 93 0 - 6.4-8.6 HB3 GLU 95 - QD1 LEU 3 far 0 61 0 - 7.6-9.7 HB2 GLU 95 - QD1 LEU 3 far 0 99 0 - 7.6-9.8 HB3 GLN 50 - QD1 LEU 3 far 0 90 0 - 9.2-12.2 Violated in 6 structures by 0.16 A. Peak 8097 from cnoeabs.peaks (1.97, 0.46, 24.71 ppm; 4.62 A): 3 out of 5 assignments used, quality = 1.00: QE MET 1 + QD1 LEU 3 OK 100 100 100 100 3.9-4.5 8025=98, 8026/2.1=88...(27) HB3 MET 1 + QD1 LEU 3 OK 53 75 70 100 3.3-6.6 3.0/8021=67, 3.0/8017=65...(19) HB2 MET 1 + QD1 LEU 3 OK 50 77 65 100 2.7-5.9 3.0/8021=67, 1.8/8013=67...(19) HB2 LYS 24 - QD1 LEU 3 far 0 99 0 - 8.9-11.4 HB3 LYS 24 - QD1 LEU 3 far 0 99 0 - 9.5-11.2 Violated in 0 structures by 0.00 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 2.3-5.1 3.0/9192=61, 9198=49...(23) HE3 LYS 53 + QD2 LEU 3 OK 95 95 100 100 2.9-5.0 3.0/9192=61, 9198=46...(22) Violated in 1 structures by 0.01 A. Peak 8099 from cnoeabs.peaks (2.43, 0.26, 24.15 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.94: HG3 MET 1 + QD2 LEU 3 OK 94 99 95 100 2.5-5.5 8022=97, 1.8/8018=79...(25) HG3 GLU 99 - QD2 LEU 3 far 10 99 10 - 4.5-9.2 HB3 TYR 4 - QD2 LEU 3 far 0 75 0 - 5.6-7.2 HG3 GLU 48 - QD2 LEU 3 far 0 100 0 - 7.4-10.8 HG3 GLN 50 - QD2 LEU 3 far 0 100 0 - 8.3-11.8 HG2 GLN 50 - QD2 LEU 3 far 0 82 0 - 8.6-11.6 Violated in 5 structures by 0.12 A. Peak 8100 from cnoeabs.peaks (2.21, 0.26, 24.15 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.88: HG2 MET 1 + QD2 LEU 3 OK 88 98 90 100 2.1-5.2 8018=96, 1.8/8022=81...(23) HG2 GLU 99 - QD2 LEU 3 far 10 99 10 - 4.4-9.2 HB2 GLU 95 - QD2 LEU 3 far 0 100 0 - 7.8-10.5 HG2 GLU 98 - QD2 LEU 3 far 0 100 0 - 8.0-9.7 HB3 GLN 50 - QD2 LEU 3 far 0 63 0 - 8.2-11.0 Violated in 4 structures by 0.15 A. Peak 8101 from cnoeabs.peaks (1.99, 0.26, 24.15 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.98: QE MET 1 + QD2 LEU 3 OK 96 96 100 100 2.2-4.1 8026=93, 8025/2.1=59...(29) HB3 MET 1 + QD2 LEU 3 OK 34 99 35 100 3.8-6.4 3.0/8022=60, 3.0/8018=59...(21) HB2 GLN 50 - QD2 LEU 3 far 0 73 0 - 8.4-11.0 HB3 LYS 94 - QD2 LEU 3 far 0 75 0 - 9.7-11.3 Violated in 0 structures by 0.00 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 3.4-5.2 9157=88, 6868/9182=86...(13) HA THR 80 - QD2 LEU 3 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 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 5.3-6.7 8102/2.1=90...(13) Violated in 11 structures by 0.18 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 4.3-5.9 8102/2.1=93...(15) 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 3.6-4.4 6868/8064=97...(14) 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 5 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...(19) HB3 LYS 53 + HA LEU 3 OK 75 75 100 100 2.9-4.1 3.9/8064=79, 8138/99=66...(16) HB2 GLU 28 - HA LEU 3 far 0 84 0 - 6.9-8.2 HD2 LYS 47 - HA LEU 3 far 0 65 0 - 9.8-14.9 HD3 LYS 47 - HA LEU 3 far 0 68 0 - 10.0-15.6 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 12 assignments used, quality = 1.00: QD1 LEU 27 + HA LEU 3 OK 96 96 100 100 4.5-5.7 ~10132=74, 10137/3.9=72...(16) QD2 LEU 27 + HA LEU 3 OK 87 87 100 100 4.1-4.6 10132/3.0=81...(15) QG2 ILE 52 + HA LEU 3 OK 82 85 100 97 4.6-6.1 4.3/8064=76, 3.2/8105=53...(11) QG1 VAL 54 + HA LEU 3 OK 79 99 95 84 5.3-6.5 8133/99=64, 2.1/12128=29...(7) QG2 ILE 93 - HA LEU 3 far 0 100 0 - 7.1-8.5 QG2 VAL 78 - HA LEU 3 far 0 73 0 - 7.2-9.8 QG1 VAL 78 - HA LEU 3 far 0 99 0 - 7.4-8.8 QG1 VAL 5 - HA LEU 3 far 0 82 0 - 7.5-8.0 QD1 LEU 6 - HA LEU 3 far 0 95 0 - 8.0-9.3 QD2 LEU 42 - HA LEU 3 far 0 98 0 - 8.4-9.5 QD1 ILE 93 - HA LEU 3 far 0 96 0 - 9.1-11.0 HG13 ILE 93 - HA LEU 3 far 0 99 0 - 9.7-12.8 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 11 assignments used, quality = 1.00: QD2 LEU 27 + HB2 LEU 3 OK 100 100 100 100 1.9-3.4 10132=100, 10133/1.8=78...(25) QG2 ILE 93 - HB2 LEU 3 far 0 90 0 - 5.0-7.1 QG1 VAL 54 - HB2 LEU 3 far 0 71 0 - 5.4-7.4 QG1 VAL 5 - HB2 LEU 3 far 0 100 0 - 6.3-7.4 QD1 ILE 52 - HB2 LEU 3 far 0 70 0 - 6.9-8.6 QD1 ILE 56 - HB2 LEU 3 far 0 91 0 - 8.0-11.8 HG13 ILE 93 - HB2 LEU 3 far 0 96 0 - 8.1-11.0 QG2 VAL 78 - HB2 LEU 3 far 0 100 0 - 8.3-11.4 QG1 VAL 78 - HB2 LEU 3 far 0 95 0 - 8.5-10.8 QD2 LEU 42 - HB2 LEU 3 far 0 61 0 - 9.1-11.5 HG13 ILE 56 - HB2 LEU 3 far 0 97 0 - 9.8-13.5 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 11 assignments used, quality = 0.99: QD2 LEU 27 + HG LEU 3 OK 97 97 100 100 2.6-4.2 10136/2.1=81...(17) QD1 LEU 27 + HG LEU 3 OK 77 85 90 100 3.9-5.6 10137/2.1=60, ~10136=56...(17) QG2 ILE 52 - HG LEU 3 far 0 68 0 - 5.9-7.4 QG2 ILE 93 - HG LEU 3 far 0 100 0 - 6.9-8.9 QG1 VAL 54 - HG LEU 3 far 0 94 0 - 7.2-8.9 QG1 VAL 5 - HG LEU 3 far 0 95 0 - 8.7-9.2 QG1 VAL 78 - HG LEU 3 far 0 100 0 - 9.0-11.0 QG2 VAL 78 - HG LEU 3 far 0 90 0 - 9.2-11.4 QD1 ILE 56 - HG LEU 3 far 0 65 0 - 9.8-12.6 QD1 ILE 93 - HG LEU 3 far 0 84 0 - 9.8-11.8 QD1 LEU 6 - HG LEU 3 far 0 82 0 - 10.0-11.7 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 3.2-3.9 10136=99, 10132/3.1=70...(21) QD1 LEU 27 + QD2 LEU 3 OK 77 77 100 100 3.2-4.5 2.1/10136=74...(21) QG1 VAL 54 - QD2 LEU 3 far 0 88 0 - 5.6-6.6 QG2 ILE 93 - QD2 LEU 3 far 0 98 0 - 5.8-7.0 QG1 VAL 5 - QD2 LEU 3 far 0 98 0 - 6.4-7.4 QG1 VAL 78 - QD2 LEU 3 far 0 100 0 - 6.6-8.0 QG2 VAL 78 - QD2 LEU 3 far 0 95 0 - 6.8-8.5 QD1 ILE 93 - QD2 LEU 3 far 0 75 0 - 7.6-9.3 QD1 ILE 56 - QD2 LEU 3 far 0 75 0 - 7.7-9.5 HG13 ILE 93 - QD2 LEU 3 far 0 100 0 - 7.9-10.4 QD1 LEU 6 - QD2 LEU 3 far 0 73 0 - 8.0-9.3 QD2 LEU 42 - QD2 LEU 3 far 0 81 0 - 8.1-9.3 HG3 ARG 81 - QD2 LEU 3 far 0 100 0 - 8.4-12.4 HG13 ILE 56 - QD2 LEU 3 far 0 87 0 - 8.9-11.4 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 14 assignments used, quality = 1.00: QD2 LEU 27 + QD1 LEU 3 OK 100 100 100 100 1.8-2.4 10136/2.1=54...(24) QD1 LEU 27 + QD1 LEU 3 OK 66 68 100 98 1.9-3.6 ~10136=32, 10137=27...(25) QG2 ILE 93 - QD1 LEU 3 far 0 95 0 - 4.6-6.3 QG1 VAL 5 - QD1 LEU 3 far 0 100 0 - 6.6-7.6 QD1 ILE 52 - QD1 LEU 3 far 0 59 0 - 6.8-8.2 QG1 VAL 54 - QD1 LEU 3 far 0 81 0 - 7.0-7.7 QD1 ILE 93 - QD1 LEU 3 far 0 65 0 - 7.2-8.9 HG13 ILE 93 - QD1 LEU 3 far 0 99 0 - 7.4-9.7 QG1 VAL 78 - QD1 LEU 3 far 0 98 0 - 8.1-9.9 QG2 VAL 78 - QD1 LEU 3 far 0 98 0 - 8.7-10.5 QD1 LEU 6 - QD1 LEU 3 far 0 63 0 - 9.2-10.3 QD1 ILE 56 - QD1 LEU 3 far 0 84 0 - 9.3-10.9 HG3 ARG 81 - QD1 LEU 3 far 0 100 0 - 9.5-13.0 QD2 LEU 42 - QD1 LEU 3 far 0 71 0 - 9.6-10.8 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 7 assignments used, quality = 0.97: HB2 LEU 27 + QD1 LEU 3 OK 79 99 80 100 4.8-6.1 3.1/10137=69...(16) HG3 LYS 53 + QD1 LEU 3 OK 55 100 55 100 4.1-6.8 11033/2.1=86, ~8114=56...(28) HD2 LYS 53 + QD1 LEU 3 OK 55 100 55 100 4.2-6.8 9192/2.1=88, ~9193=54...(23) HG2 LYS 53 + QD1 LEU 3 OK 25 100 25 100 5.4-6.5 ~11033=64, ~8114=56...(28) QB ALA 22 - QD1 LEU 3 far 0 77 0 - 5.7-7.1 HG13 ILE 52 - QD1 LEU 3 far 0 99 0 - 6.2-8.0 HG LEU 29 - QD1 LEU 3 far 0 77 0 - 9.4-10.8 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 7 assignments used, quality = 1.00: HG3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.0-4.3 3.0/8114=54...(28) HG2 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.9-4.1 3.0/8114=54, 3.0/8115=47...(29) HD2 LYS 53 + QD2 LEU 3 OK 94 100 95 100 2.1-4.4 9192=56, 3.6/8114=44...(23) HG13 ILE 52 - QD2 LEU 3 far 0 99 0 - 4.4-6.2 HB2 LEU 27 - QD2 LEU 3 far 0 99 0 - 6.2-7.3 QB ALA 22 - QD2 LEU 3 far 0 77 0 - 6.8-8.0 HG LEU 29 - QD2 LEU 3 far 0 77 0 - 9.1-10.9 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 = 1.00: HB3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 1.9-2.1 1.8/8115=60, 9189=51...(20) HB ILE 52 - QD2 LEU 3 far 0 99 0 - 5.4-7.4 HB2 LEU 2 - QD2 LEU 3 far 0 91 0 - 5.6-7.1 HB3 ARG 79 - QD2 LEU 3 far 0 84 0 - 5.7-8.9 HB3 LEU 6 - QD2 LEU 3 far 0 73 0 - 9.4-11.7 HB ILE 76 - QD2 LEU 3 far 0 65 0 - 9.6-11.3 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 5 assignments used, quality = 1.00: HB2 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.9-3.5 9186=99, 1.8/8114=85...(24) HB VAL 5 - QD2 LEU 3 far 0 82 0 - 7.2-8.4 HB2 GLU 104 - QD2 LEU 3 far 0 85 0 - 8.4-13.3 HB ILE 93 - QD2 LEU 3 far 0 75 0 - 8.6-10.1 HB3 GLU 104 - QD2 LEU 3 far 0 65 0 - 9.7-14.4 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 = 0.99: QE MET 1 + HG LEU 3 OK 98 98 100 100 3.6-5.2 8026/2.1=93, 8025/2.1=87...(20) HB3 MET 1 + HG LEU 3 OK 73 97 75 100 4.1-6.4 8013/2.1=73, 3.0/8117=67...(18) HB2 GLN 50 - HG LEU 3 far 0 68 0 - 10.0-12.5 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 = 1.00: HG2 MET 1 + HG LEU 3 OK 100 100 100 100 2.9-5.2 8018/2.1=94, 8017/2.1=88...(24) HG2 GLU 99 - HG LEU 3 far 0 79 0 - 7.6-12.6 HB3 GLN 50 - HG LEU 3 far 0 94 0 - 9.8-12.6 HG2 GLU 98 - HG LEU 3 far 0 88 0 - 10.0-12.4 Violated in 1 structures by 0.00 A. Peak 8118 from cnoeabs.peaks (1.66, 1.30, 27.70 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.85: HB3 LYS 53 + HG LEU 3 OK 85 85 100 100 2.8-4.8 8114/2.1=79...(17) HB ILE 52 - HG LEU 3 far 0 99 0 - 6.8-8.9 HB3 ARG 79 - HG LEU 3 far 0 100 0 - 9.2-12.9 Violated in 5 structures by 0.02 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 2.7-3.7 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 - 5.9-9.6 H ASN 26 - HA TYR 4 far 0 73 0 - 9.4-10.2 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 4.5-5.1 6042/2.2=80, 6.5=73...(15) 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 2.8-4.2 2.2/12077=75, 14695=64...(11) Violated in 0 structures by 0.00 A. Peak 8128 from cnoeabs.peaks (5.15, 6.45, 118.10 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: HA TYR 4 + QE TYR 4 OK 99 100 100 100 4.6-4.8 5.7=81, 3.0/8126=59...(13) HA LEU 3 + QE TYR 4 OK 92 93 100 99 3.8-4.5 3.6/8126=54, 8062=40...(18) HA VAL 54 - QE TYR 4 poor 19 97 20 - 6.0-6.9 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 4 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 79 87 100 91 3.4-5.9 9042/8157=43...(10) HG3 MET 1 - QE TYR 4 far 0 68 0 - 7.0-8.7 HG3 GLN 50 - QE TYR 4 far 0 90 0 - 7.4-11.2 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 3 assignments used, quality = 1.00: HB2 TYR 4 + QE TYR 4 OK 100 100 100 100 4.4-4.4 4.4=100 HB2 GLU 48 + QE TYR 4 OK 91 98 95 98 4.3-6.3 9038/8157=51...(15) HB2 TYR 41 - QE TYR 4 far 0 83 0 - 6.7-8.7 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 5 assignments used, quality = 1.00: HG2 GLU 28 + QE TYR 4 OK 98 100 100 99 3.2-5.4 3.0/8653=43, 3.0/8652=41...(17) HB3 GLU 48 + QE TYR 4 OK 94 98 100 96 3.3-5.4 12316/9142=44...(12) HG3 GLU 28 + QE TYR 4 OK 93 100 95 99 3.5-6.2 3.0/8653=43, 3.0/8652=41...(17) HB2 GLN 50 - QE TYR 4 far 0 67 0 - 8.4-10.5 HB3 GLU 43 - QE TYR 4 far 0 99 0 - 9.7-10.5 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 5 assignments used, quality = 1.00: HG2 GLU 28 + QD TYR 4 OK 100 100 100 100 2.6-5.4 3.7/14579=64...(19) HG3 GLU 28 + QD TYR 4 OK 100 100 100 100 3.1-5.3 3.7/14579=64...(19) HB3 GLU 48 + QD TYR 4 OK 89 96 95 98 5.3-7.1 10643/9143=48...(12) HG12 ILE 93 - QD TYR 4 far 0 84 0 - 8.6-11.0 HB3 GLU 43 - QD TYR 4 far 0 100 0 - 9.9-10.5 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 4.3-4.8 6034/3.0=61, 101=45...(21) HB3 GLU 28 + HA TYR 4 OK 95 96 100 99 2.6-4.0 8657=77, 1.8/8656=71...(10) HG LEU 6 - HA TYR 4 far 0 90 0 - 5.8-6.4 HG LEU 2 - HA TYR 4 far 0 73 0 - 6.3-8.2 HG3 ARG 30 - HA TYR 4 far 0 95 0 - 6.4-9.1 HG12 ILE 56 - HA TYR 4 far 0 96 0 - 8.5-10.2 HD3 LYS 53 - HA TYR 4 far 0 100 0 - 8.8-10.2 HG2 ARG 79 - HA TYR 4 far 0 98 0 - 9.1-12.7 HB ILE 7 - HA TYR 4 far 0 85 0 - 9.6-10.3 HG2 ARG 19 - HA TYR 4 far 0 61 0 - 9.7-12.9 HG3 ARG 79 - HA TYR 4 far 0 98 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 8136 from cnoeabs.peaks (1.85, 5.14, 56.58 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.98: HB VAL 5 + HA TYR 4 OK 98 98 100 100 4.3-4.8 6053/146=88, 2.1/8140=88...(10) HB VAL 54 - HA TYR 4 far 0 65 0 - 6.7-7.2 HB2 LYS 53 - HA TYR 4 far 0 99 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 8139 from cnoeabs.peaks (1.44, 5.14, 56.58 ppm; 5.11 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 27 + HA TYR 4 OK 88 95 100 93 4.5-5.8 4.4/8655=59...(7) QB ALA 22 + HA TYR 4 OK 87 100 100 87 5.0-5.9 8578/8140=39...(10) HG13 ILE 52 - HA TYR 4 far 9 95 10 - 5.9-7.3 HG LEU 29 - HA TYR 4 far 0 100 0 - 6.3-7.0 HG3 LYS 53 - HA TYR 4 far 0 81 0 - 8.1-10.2 HG2 LYS 53 - HA TYR 4 far 0 88 0 - 8.7-9.6 HD2 LYS 53 - HA TYR 4 far 0 93 0 - 8.8-11.0 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 = 0.98: QG2 VAL 5 + HA TYR 4 OK 98 100 100 98 3.1-3.6 6055/146=77, 2.1/8136=60...(13) HG LEU 55 - HA TYR 4 far 0 98 0 - 7.8-9.2 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 98 98 100 100 3.9-4.9 8133/3.0=51, 9245/3.0=50...(21) QG1 VAL 5 + HA TYR 4 OK 88 90 100 98 5.4-5.4 2.1/8140=76, 4.0/146=71...(8) QD2 LEU 27 + HA TYR 4 OK 87 93 100 93 4.2-5.0 1219/8655=45, 10488=38...(11) QD1 LEU 27 + HA TYR 4 OK 85 92 100 92 4.5-5.2 4.7/8655=45...(11) QG2 ILE 93 - HA TYR 4 far 0 100 0 - 5.7-6.9 QD1 LEU 6 - HA TYR 4 far 0 90 0 - 6.0-7.1 QG2 ILE 52 - HA TYR 4 far 0 77 0 - 6.6-8.6 QD1 ILE 93 - HA TYR 4 far 0 91 0 - 6.8-8.9 QG1 VAL 78 - HA TYR 4 far 0 100 0 - 7.3-9.3 HG13 ILE 93 - HA TYR 4 far 0 100 0 - 7.5-10.4 QG2 VAL 78 - HA TYR 4 far 0 82 0 - 7.7-10.3 QD2 LEU 42 - HA TYR 4 far 0 94 0 - 7.8-9.2 HG13 ILE 56 - HA TYR 4 far 0 70 0 - 8.2-11.1 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 4.4-5.3 9239/3.0=94, 9238/3.0=89...(20) QD1 LEU 29 + HA TYR 4 OK 53 100 55 97 6.1-6.7 10500/8140=74...(5) QD2 LEU 6 + HA TYR 4 OK 25 68 40 94 4.5-7.1 8209/3.7=48, 8148/3.0=29...(12) QD2 LEU 29 - HA TYR 4 far 0 99 0 - 6.7-7.3 QD1 ILE 7 - HA TYR 4 far 0 75 0 - 9.8-10.6 QD1 LEU 42 - HA TYR 4 far 0 63 0 - 10.0-11.2 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 10 assignments used, quality = 1.00: HG LEU 6 + HB2 TYR 4 OK 98 98 100 100 4.2-5.3 ~8209=72, ~8213=55...(22) HB3 GLU 28 + HB2 TYR 4 OK 84 84 100 100 4.3-6.0 8657/3.0=68, ~8656=66...(16) HB2 LEU 3 + HB2 TYR 4 OK 75 96 80 98 5.3-6.9 6034/3.8=77, 8135/3.0=45...(11) HG LEU 2 + HB2 TYR 4 OK 30 90 35 94 6.0-8.3 8154/4.4=37, ~8041=34...(13) HG3 ARG 30 - HB2 TYR 4 poor 20 100 20 - 5.9-8.9 HG12 ILE 56 - HB2 TYR 4 far 0 100 0 - 6.6-8.5 HG2 ARG 79 - HB2 TYR 4 far 0 100 0 - 7.8-12.7 HD3 LYS 53 - HB2 TYR 4 far 0 96 0 - 8.3-10.2 HG3 ARG 79 - HB2 TYR 4 far 0 100 0 - 8.8-12.7 HB ILE 7 - HB2 TYR 4 far 0 96 0 - 9.6-10.8 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 2.0-3.2 2.1/9239=76, 9246=59...(26) QD1 LEU 6 + HB2 TYR 4 OK 47 98 50 97 4.3-5.5 ~8209=41, 8213/2.5=38...(20) QG2 ILE 52 + HB2 TYR 4 OK 26 92 30 95 4.4-7.1 9143/2.5=50...(20) QG2 VAL 78 - HB2 TYR 4 far 0 63 0 - 5.3-8.1 QG1 VAL 78 - HB2 TYR 4 far 0 98 0 - 5.3-7.9 QD2 LEU 42 - HB2 TYR 4 far 0 99 0 - 5.5-7.4 QG1 VAL 5 - HB2 TYR 4 far 0 73 0 - 5.6-6.2 QD1 LEU 27 - HB2 TYR 4 far 0 99 0 - 6.2-7.1 QD2 LEU 27 - HB2 TYR 4 far 0 79 0 - 6.3-7.0 QD2 LEU 57 - HB2 TYR 4 far 0 63 0 - 7.2-8.9 QG2 ILE 93 - HB2 TYR 4 far 0 99 0 - 7.4-8.6 QD1 ILE 93 - HB2 TYR 4 far 0 99 0 - 8.1-10.1 HG13 ILE 93 - HB2 TYR 4 far 0 96 0 - 9.1-12.1 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 = 0.99: QG2 VAL 54 + HB2 TYR 4 OK 98 98 100 100 1.9-3.9 9239=97, 9238/1.8=68...(29) QD1 ILE 52 + HB2 TYR 4 OK 36 81 50 91 4.1-5.8 9148/2.5=27, ~9143=24...(17) QD2 LEU 6 + HB2 TYR 4 OK 22 92 25 96 3.1-6.3 8209/2.5=59, ~8213=29...(16) QD1 LEU 29 - HB2 TYR 4 far 0 98 0 - 6.7-8.2 QD2 LEU 29 - HB2 TYR 4 far 0 87 0 - 7.0-8.6 QD1 LEU 42 - HB2 TYR 4 far 0 90 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 8146 from cnoeabs.peaks (1.53, 2.46, 43.84 ppm; 5.71 A): 4 out of 10 assignments used, quality = 1.00: HG LEU 6 + HB3 TYR 4 OK 100 100 100 100 4.1-5.2 ~8209=76, ~8213=59...(22) HB3 GLU 28 + HB3 TYR 4 OK 65 65 100 100 3.7-5.8 ~8656=70, ~10366=63...(16) HG3 ARG 30 + HB3 TYR 4 OK 61 100 70 87 5.6-7.7 ~8702=50, ~8708=46...(6) HB2 LEU 3 + HB3 TYR 4 OK 41 84 50 98 5.3-6.9 6034/3.8=71, 8135/3.0=39...(12) HG LEU 2 - HB3 TYR 4 far 10 98 10 - 5.9-8.4 HG12 ILE 56 - HB3 TYR 4 far 0 100 0 - 6.9-9.6 HD3 LYS 53 - HB3 TYR 4 far 0 85 0 - 8.5-10.9 HG2 ARG 79 - HB3 TYR 4 far 0 100 0 - 8.8-12.7 HB ILE 7 - HB3 TYR 4 far 0 100 0 - 9.4-10.7 HG2 LYS 47 - HB3 TYR 4 far 0 65 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 8147 from cnoeabs.peaks (0.75, 2.46, 43.84 ppm; 4.07 A): 2 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + HB3 TYR 4 OK 99 99 100 100 2.2-3.5 2.1/9238=64, 9245=53...(26) QD1 LEU 6 + HB3 TYR 4 OK 64 95 70 96 4.2-5.5 ~8209=41, 8213/2.5=36...(20) QG2 ILE 52 - HB3 TYR 4 far 9 85 10 - 4.6-8.2 QG1 VAL 78 - HB3 TYR 4 far 0 99 0 - 5.6-8.1 QG1 VAL 5 - HB3 TYR 4 far 0 82 0 - 5.6-6.1 QD2 LEU 42 - HB3 TYR 4 far 0 98 0 - 5.8-7.3 QG2 VAL 78 - HB3 TYR 4 far 0 73 0 - 6.2-9.1 QD2 LEU 27 - HB3 TYR 4 far 0 87 0 - 6.3-7.0 QD1 LEU 27 - HB3 TYR 4 far 0 96 0 - 6.3-7.0 HG13 ILE 56 - HB3 TYR 4 far 0 59 0 - 6.9-9.2 QG2 ILE 93 - HB3 TYR 4 far 0 100 0 - 7.6-8.8 QD1 ILE 93 - HB3 TYR 4 far 0 96 0 - 7.8-10.0 HG13 ILE 93 - HB3 TYR 4 far 0 99 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 8148 from cnoeabs.peaks (0.67, 2.46, 43.84 ppm; 4.14 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 54 + HB3 TYR 4 OK 98 98 100 100 1.9-4.1 9238=84, 9239/1.8=81...(28) QD2 LEU 6 + HB3 TYR 4 OK 54 92 60 98 2.9-6.1 8209/2.5=61, ~8213=30...(19) QD1 ILE 52 - HB3 TYR 4 poor 16 81 20 - 4.4-6.6 QD1 LEU 29 - HB3 TYR 4 far 0 98 0 - 6.5-8.2 QD2 LEU 29 - HB3 TYR 4 far 0 87 0 - 6.9-8.7 QD1 LEU 42 - HB3 TYR 4 far 0 90 0 - 8.2-9.2 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 7 assignments used, quality = 1.00: HB2 LEU 2 + QD TYR 4 OK 100 100 100 100 3.8-6.2 8039/2.2=99, ~8155=78...(25) HB3 LYS 53 + QD TYR 4 OK 85 91 100 94 4.7-6.5 8138/4.5=70...(10) HB ILE 52 + QD TYR 4 OK 65 65 100 100 4.7-6.3 2.1/9143=69, ~8156=55...(30) HB2 GLU 28 + QD TYR 4 OK 65 65 100 100 2.1-4.6 3.0/14579=64...(19) HD3 LYS 47 - QD TYR 4 far 4 85 5 - 6.6-12.2 HD2 LYS 47 - QD TYR 4 far 4 84 5 - 6.5-11.8 HB3 LYS 40 - QD TYR 4 far 0 88 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 8150 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 6.50 A): 5 out of 10 assignments used, quality = 1.00: HG LEU 6 + QD TYR 4 OK 100 100 100 100 5.4-6.3 2.1/8209=90, 2.1/8213=77...(17) HG LEU 2 + QD TYR 4 OK 98 98 100 100 3.5-5.2 ~8157=82, ~8039=81...(26) HG3 ARG 30 + QD TYR 4 OK 92 100 95 97 5.0-8.4 1.8/8702=75, 3.0/8708=49...(8) HB2 LEU 3 + QD TYR 4 OK 84 84 100 100 4.5-5.5 4.4/6042=74, 3.0/8062=45...(15) HB3 GLU 28 + QD TYR 4 OK 65 65 100 100 2.3-3.6 3.0/14579=74...(17) HD3 LYS 53 - QD TYR 4 far 13 85 15 - 7.3-8.9 HG2 LYS 47 - QD TYR 4 far 0 65 0 - 7.6-10.5 HG12 ILE 56 - QD TYR 4 far 0 100 0 - 8.1-9.5 HG2 ARG 79 - QD TYR 4 far 0 100 0 - 8.2-12.1 HG3 ARG 79 - QD TYR 4 far 0 99 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 8151 from cnoeabs.peaks (0.77, 6.43, 132.25 ppm; 5.00 A): 4 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + QD TYR 4 OK 99 99 100 100 3.3-4.7 9245/2.5=65, ~9239=64...(24) QG2 ILE 52 + QD TYR 4 OK 99 99 100 100 3.2-5.6 9143=68, 14596/2.2=57...(31) QD1 LEU 6 + QD TYR 4 OK 80 100 80 100 4.9-6.0 2.1/8209=84, 8213=60...(18) QD2 LEU 2 + QD TYR 4 OK 59 59 100 100 3.2-5.1 ~8157=54, ~8039=51...(30) QD2 LEU 42 - QD TYR 4 far 5 100 5 - 5.5-7.1 QD1 LEU 27 - QD TYR 4 far 5 100 5 - 5.7-6.7 QG1 VAL 78 - QD TYR 4 far 0 87 0 - 5.9-7.3 QD1 ILE 76 - QD TYR 4 far 0 75 0 - 6.4-8.2 QG2 ILE 93 - QD TYR 4 far 0 93 0 - 7.2-8.4 QD2 LEU 57 - QD TYR 4 far 0 84 0 - 8.0-9.5 QD1 ILE 93 - QD TYR 4 far 0 100 0 - 8.3-10.0 QG2 ILE 7 - QD TYR 4 far 0 79 0 - 9.3-9.7 HG13 ILE 93 - QD TYR 4 far 0 84 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 8152 from cnoeabs.peaks (0.67, 6.43, 132.25 ppm; 5.11 A): 3 out of 8 assignments used, quality = 1.00: QG2 VAL 54 + QD TYR 4 OK 95 95 100 100 2.0-3.4 9239/2.5=87, 9238/2.5=81...(29) QD2 LEU 6 + QD TYR 4 OK 91 96 95 100 4.1-6.1 8209=85, 2.1/8213=55...(18) QD1 ILE 52 + QD TYR 4 OK 88 88 100 100 2.8-4.2 3.1/9143=64, 8159/2.2=47...(30) QD1 ILE 56 - QD TYR 4 far 0 65 0 - 6.6-8.7 QD1 LEU 29 - QD TYR 4 far 0 94 0 - 7.1-7.8 QD2 LEU 29 - QD TYR 4 far 0 79 0 - 7.1-7.8 QD1 LEU 42 - QD TYR 4 far 0 95 0 - 7.8-9.0 QD1 ILE 8 - QD TYR 4 far 0 61 0 - 9.6-11.0 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 2.2-4.7 8039=100, 1.8/8155=68...(21) HB ILE 52 + QE TYR 4 OK 83 83 100 100 3.7-5.2 9142=56, 2.1/14596=48...(24) HD3 LYS 47 - QE TYR 4 far 5 95 5 - 4.9-10.8 HD2 LYS 47 - QE TYR 4 far 5 95 5 - 4.6-10.3 HB3 LYS 53 - QE TYR 4 far 0 98 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 8154 from cnoeabs.peaks (1.53, 6.45, 118.10 ppm; 4.98 A): 2 out of 8 assignments used, quality = 0.99: HG LEU 2 + QE TYR 4 OK 97 97 100 100 2.0-3.0 3.0/8039=80, 2.1/8157=77...(21) HB3 GLU 28 + QE TYR 4 OK 64 64 100 99 3.1-3.9 1.8/8652=44, ~8652=38...(17) HG2 LYS 47 - QE TYR 4 far 3 64 5 - 5.5-9.0 HB2 LEU 3 - QE TYR 4 far 0 83 0 - 6.0-6.5 HG3 ARG 30 - QE TYR 4 far 0 100 0 - 6.2-9.6 HG LEU 6 - QE TYR 4 far 0 100 0 - 7.4-8.2 HD3 LYS 53 - QE TYR 4 far 0 84 0 - 8.1-9.5 HG2 ARG 79 - QE TYR 4 far 0 99 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 8155 from cnoeabs.peaks (1.33, 6.45, 118.10 ppm; 4.87 A): 1 out of 7 assignments used, quality = 0.99: HB3 LEU 2 + QE TYR 4 OK 99 99 100 100 2.4-4.9 1.8/8039=93, 3.1/8157=63...(20) HG2 ARG 30 - QE TYR 4 far 3 68 5 - 5.8-10.2 HB3 LEU 27 - QE TYR 4 far 0 95 0 - 5.9-7.8 HG LEU 3 - QE TYR 4 far 0 78 0 - 5.9-6.4 HB3 LEU 42 - QE TYR 4 far 0 84 0 - 8.5-10.1 QB ALA 25 - QE TYR 4 far 0 98 0 - 9.0-10.3 HG3 LYS 40 - QE TYR 4 far 0 74 0 - 9.6-12.7 Violated in 1 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 2.0-4.1 8051/8039=77...(24) HB3 LEU 55 - QE TYR 4 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 8157 from cnoeabs.peaks (0.89, 6.45, 118.10 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 2 + QE TYR 4 OK 100 100 100 100 2.0-4.4 3.1/8039=78, 8042=67...(23) QG2 ILE 76 - QE TYR 4 far 5 100 5 - 5.3-7.3 QD1 LEU 38 - QE TYR 4 far 0 83 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 8158 from cnoeabs.peaks (0.78, 6.45, 118.10 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 52 + QE TYR 4 OK 99 100 100 100 3.6-4.8 9143/2.2=58, 2.1/9142=44...(26) QD2 LEU 2 + QE TYR 4 OK 77 78 100 100 1.9-4.4 3.1/8039=55, 2.1/8157=50...(26) QG1 VAL 54 - QE TYR 4 far 0 93 0 - 5.2-6.3 QD1 ILE 76 - QE TYR 4 far 0 90 0 - 6.3-8.6 QD2 LEU 42 - QE TYR 4 far 0 97 0 - 6.4-8.1 QD1 LEU 6 - QE TYR 4 far 0 99 0 - 6.5-7.5 QD1 LEU 27 - QE TYR 4 far 0 98 0 - 6.9-7.9 QG1 VAL 78 - QE TYR 4 far 0 68 0 - 7.3-8.6 QG2 ILE 93 - QE TYR 4 far 0 78 0 - 8.6-9.9 QD2 LEU 57 - QE TYR 4 far 0 95 0 - 9.8-11.4 QD1 ILE 93 - QE TYR 4 far 0 98 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 8159 from cnoeabs.peaks (0.68, 6.45, 118.10 ppm; 4.42 A): 2 out of 9 assignments used, quality = 0.99: QD1 ILE 52 + QE TYR 4 OK 97 97 100 100 1.8-3.1 9148=48, 12275/8039=44...(28) QG2 VAL 54 + QE TYR 4 OK 80 81 100 98 3.5-4.9 9239/4.4=40, 9238/4.4=37...(19) QD2 LEU 6 - QE TYR 4 far 0 99 0 - 5.7-7.5 QG2 VAL 78 - QE TYR 4 far 0 56 0 - 6.5-9.7 QD1 ILE 56 - QE TYR 4 far 0 83 0 - 8.2-10.3 QD2 LEU 29 - QE TYR 4 far 0 58 0 - 8.5-9.4 QD1 LEU 42 - QE TYR 4 far 0 99 0 - 8.7-9.9 QD1 LEU 29 - QE TYR 4 far 0 80 0 - 8.7-9.4 HG13 ILE 56 - QE TYR 4 far 0 70 0 - 9.9-12.2 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...(23) 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 3.2-4.7 8715=99, 6476/8173=84...(13) 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 3.3-4.8 8715/2.1=100...(11) H VAL 83 - QG1 VAL 5 far 0 94 0 - 8.1-9.6 H ARG 30 - QG2 VAL 78 far 0 76 0 - 8.7-11.0 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 4.6-5.1 11107/178=52...(12) H ILE 56 + QG2 VAL 78 OK 49 53 95 98 2.7-6.1 9697/4.3=53...(16) 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 = 0.98: H GLU 28 + QG2 VAL 5 OK 98 99 100 99 3.4-5.5 6450/8634=69...(7) HE ARG 30 - QG2 VAL 5 far 0 100 0 - 7.5-10.1 H GLU 99 - QG2 VAL 5 far 0 100 0 - 7.9-9.1 H LYS 20 - QG2 VAL 5 far 0 100 0 - 8.3-9.2 H VAL 78 - QG2 VAL 5 far 0 70 0 - 9.3-10.2 Violated in 3 structures by 0.02 A. Peak 8169 from cnoeabs.peaks (7.04, 0.95, 22.19 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.98: QD PHE 96 + QG2 VAL 5 OK 96 100 100 96 2.2-3.5 2.2/8170=65...(21) HZ PHE 96 + QG2 VAL 5 OK 38 79 55 89 3.7-5.1 2.2/8170=65...(15) HZ3 TRP 92 - QG2 VAL 5 far 0 77 0 - 7.0-10.3 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 2.0-3.9 2.2/8169=51...(21) Violated in 1 structures by 0.00 A. Peak 8171 from cnoeabs.peaks (7.03, 0.73, 20.80 ppm; 5.66 A): 3 out of 6 assignments used, quality = 1.00: QD PHE 96 + QG1 VAL 5 OK 100 100 100 100 3.9-5.5 ~8170=81, 8169/2.1=71...(20) HZ PHE 96 + QG1 VAL 5 OK 62 70 90 98 5.4-6.8 ~8170=81, ~10059=32...(17) HZ PHE 96 + QG2 VAL 78 OK 20 45 90 50 5.0-7.2 ~10330=14, 9292/12107=10...(10) QD PHE 96 - QG2 VAL 78 far 4 76 5 - 6.5-8.6 HZ3 TRP 92 - QG1 VAL 5 far 0 68 0 - 7.0-9.6 HZ3 TRP 92 - QG2 VAL 78 far 0 44 0 - 8.5-12.5 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 2.0-3.5 8668=91, 8667/2.1=59...(20) 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 3.4-4.5 8667=99, 8173/2.1=86...(18) HA LEU 29 - QG2 VAL 78 far 0 74 0 - 9.1-11.3 Violated in 1 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 3.1-4.5 8666=90, 8173/2.1=89...(18) 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 2.8-4.2 3.2/10322=79, 10008=65...(16) 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 6 assignments used, quality = 1.00: HB2 PHE 96 + QG2 VAL 5 OK 100 100 100 100 3.2-4.5 4.4/8170=82, 2.4/8169=71...(18) HB2 TRP 92 + QG2 VAL 5 OK 52 100 60 87 5.5-7.3 9987/2549=35...(11) HD3 ARG 79 - QG2 VAL 5 poor 15 77 30 64 4.9-9.4 10912/8170=27...(7) HD2 ARG 79 - QG2 VAL 5 far 7 73 10 - 5.4-9.1 HD3 ARG 30 - QG2 VAL 5 far 0 92 0 - 7.3-9.8 HB3 ASN 26 - QG2 VAL 5 far 0 63 0 - 7.4-9.6 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 3.3-3.8 2.9/178=92, ~6059=52...(20) HA LEU 6 - QG2 VAL 78 far 0 76 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 8179 from cnoeabs.peaks (5.35, 0.73, 20.80 ppm; 5.54 A): 1 out of 4 assignments used, quality = 0.49: HA THR 80 + QG2 VAL 78 OK 49 70 80 88 3.4-6.6 ~10288=51, 9701/8167=22...(11) HA THR 80 - QG1 VAL 5 far 0 97 0 - 6.6-7.4 HA ILE 52 - QG2 VAL 78 far 0 74 0 - 7.0-9.7 HA ILE 52 - QG1 VAL 5 far 0 99 0 - 9.8-11.1 Violated in 5 structures by 0.25 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 4.2-4.9 4.0/8195=74, ~8198=51...(22) HA LEU 55 + QG2 VAL 78 OK 66 73 95 95 3.1-5.9 11117/4.3=66...(16) HA ARG 79 + QG2 VAL 78 OK 48 48 100 100 3.3-5.5 3.0/7286=71, ~7285=56...(20) HA LEU 27 - QG1 VAL 5 far 0 81 0 - 6.7-8.5 HA LYS 82 - QG1 VAL 5 far 0 91 0 - 7.9-9.4 HA ARG 79 - QG1 VAL 5 far 0 73 0 - 8.0-9.1 HA LYS 82 - QG2 VAL 78 far 0 63 0 - 8.5-11.8 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 3.5-5.4 7274/4.0=82, 9682/2.1=70...(12) HA PHE 45 - QG2 VAL 78 far 0 41 0 - 6.3-9.7 HA HIS 105 - QG2 VAL 78 far 0 42 0 - 9.2-17.8 Violated in 13 structures by 0.23 A. Peak 8182 from cnoeabs.peaks (3.81, 0.73, 20.80 ppm; 4.17 A): 2 out of 9 assignments used, quality = 0.67: HA ALA 71 + QG2 VAL 78 OK 46 51 90 100 2.6-5.5 ~10210=55, ~9685=51...(17) HA LYS 68 + QG2 VAL 78 OK 39 73 75 72 2.9-6.3 4.9/10194=34...(9) HA ALA 22 - QG1 VAL 5 far 15 99 15 - 4.8-6.3 HA ARG 19 - QG1 VAL 5 far 5 100 5 - 4.9-6.0 HA ALA 67 - QG2 VAL 78 far 2 40 5 - 5.1-7.3 HA SER 97 - QG1 VAL 5 far 0 100 0 - 7.1-8.8 HB3 SER 102 - QG1 VAL 5 far 0 100 0 - 8.0-15.6 HB3 SER 102 - QG2 VAL 78 far 0 75 0 - 8.2-16.9 HA ALA 67 - QG1 VAL 5 far 0 61 0 - 9.7-10.6 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 2.5-3.6 6908/9295=62, 9249=62...(30) HB3 ARG 81 - HA VAL 5 far 0 71 0 - 8.0-10.6 QG1 VAL 83 - HA VAL 5 far 0 97 0 - 8.5-9.9 HG12 ILE 52 - HA VAL 5 far 0 95 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 8191 from cnoeabs.peaks (1.15, 1.86, 33.82 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 29 + HB VAL 5 OK 99 99 100 100 2.1-3.0 2.9/8173=72, 3.1/8671=66...(27) HB2 LEU 6 - HB VAL 5 far 0 75 0 - 6.1-7.0 HB3 LEU 3 - HB VAL 5 far 0 100 0 - 6.6-7.7 QG2 THR 31 - HB VAL 5 far 0 99 0 - 6.8-7.9 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 4 assignments used, quality = 1.00: QD1 LEU 29 + HB VAL 5 OK 100 100 100 100 2.3-3.1 8671=90, 10500/2.1=65...(26) QD2 LEU 29 + HB VAL 5 OK 80 100 80 100 3.8-5.1 2.1/8671=64, 3.1/8191=45...(22) QD1 ILE 7 - HB VAL 5 far 0 84 0 - 6.1-6.8 QG2 VAL 54 - HB VAL 5 far 0 99 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 8193 from cnoeabs.peaks (0.64, 5.11, 59.85 ppm; 4.33 A): 2 out of 5 assignments used, quality = 0.97: QD1 LEU 29 + HA VAL 5 OK 88 98 90 100 4.5-5.3 8671/3.0=68...(25) QG2 VAL 54 + HA VAL 5 OK 73 97 80 94 4.4-5.4 6904/9295=59...(10) QD2 LEU 29 - HA VAL 5 far 0 100 0 - 5.6-6.8 QD1 ILE 7 - HA VAL 5 far 0 92 0 - 6.9-7.8 QG2 VAL 58 - HA VAL 5 far 0 68 0 - 9.3-10.5 Violated in 8 structures by 0.06 A. Peak 8194 from cnoeabs.peaks (1.17, 0.73, 20.80 ppm; 4.10 A): 2 out of 10 assignments used, quality = 0.98: HB2 LEU 29 + QG1 VAL 5 OK 97 97 100 100 3.2-4.0 2.9/8667=56, 8191/2.1=46...(24) HB2 LEU 6 + QG1 VAL 5 OK 47 100 50 95 4.3-5.2 6064/178=55, 3.0/8178=43...(16) HB2 LEU 57 - QG1 VAL 5 poor 17 90 25 74 4.7-5.9 3.0/10695=24, 3.9/173=23...(13) HB2 LEU 6 - QG2 VAL 78 far 4 75 5 - 4.7-7.7 QG2 THR 31 - QG1 VAL 5 far 0 71 0 - 5.3-6.5 HB3 LEU 3 - QG1 VAL 5 far 0 87 0 - 6.2-7.5 HB3 LEU 3 - QG2 VAL 78 far 0 59 0 - 8.0-10.9 HB2 LEU 57 - QG2 VAL 78 far 0 62 0 - 8.6-11.4 HG3 LYS 82 - QG1 VAL 5 far 0 65 0 - 9.7-11.3 QG2 THR 31 - QG2 VAL 78 far 0 47 0 - 9.9-11.6 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 1.9-3.3 2.1/177=38, ~8197=37...(31) QD2 LEU 55 - QG2 VAL 78 far 0 68 0 - 5.9-8.0 QD1 LEU 3 - QG1 VAL 5 far 0 79 0 - 6.6-7.6 QD1 LEU 3 - QG2 VAL 78 far 0 53 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 8196 from cnoeabs.peaks (-0.63, 0.73, 20.80 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 55 + QG1 VAL 5 OK 100 100 100 100 2.3-4.7 8198/2.1=94, 3.1/8195=92...(25) HB2 LEU 55 + QG2 VAL 78 OK 37 76 65 76 4.9-7.8 3.0/8180=23...(13) Violated in 0 structures by 0.00 A. Peak 8197 from cnoeabs.peaks (0.45, 0.95, 22.19 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.48: QD1 LEU 55 + QG2 VAL 5 OK 48 96 50 100 3.9-5.2 3.1/8198=46, ~8195=43...(27) QD1 LEU 3 - QG2 VAL 5 far 10 98 10 - 4.6-5.5 HG2 ARG 81 - QG2 VAL 5 far 0 88 0 - 6.8-9.9 Violated in 20 structures by 0.78 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 2.0-4.4 3.1/8197=69...(25) Violated in 2 structures by 0.01 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 2.5-3.2 8698=100, 8238/6072=60...(15) 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 4.8-5.4 9333/2.9=96...(15) H VAL 5 + HA LEU 6 OK 98 98 100 100 4.6-4.8 10505/8698=87, ~6059=76...(18) H ARG 19 - HA LEU 6 far 0 77 0 - 8.1-9.5 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 2 assignments used, quality = 1.00: H LEU 57 + HB2 LEU 6 OK 100 100 100 100 3.7-5.1 6932/8235=89...(15) H VAL 5 + HB2 LEU 6 OK 98 98 100 100 5.5-6.6 4.7/6064=79, 8203/1.8=35...(16) 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 3.5-5.7 6932/10672=89...(15) H VAL 5 + HB3 LEU 6 OK 63 98 65 99 5.5-6.6 4.7/6065=75, 3.0/8222=39...(15) Violated in 0 structures by 0.00 A. Peak 8204 from cnoeabs.peaks (8.92, 0.69, 24.21 ppm; 5.43 A): 3 out of 5 assignments used, quality = 1.00: H VAL 5 + QD2 LEU 6 OK 100 100 100 100 2.9-5.4 6050/8209=69...(21) H LEU 57 + QD2 LEU 6 OK 97 100 100 97 5.5-6.2 9333/4.6=67...(8) H LEU 57 + QD2 LEU 14 OK 38 72 65 82 5.7-6.7 8246/10273=44...(9) H ARG 19 - QD2 LEU 14 poor 18 56 40 80 5.8-6.9 6277/12020=52...(5) H ARG 19 - QD2 LEU 6 far 0 87 0 - 8.5-10.3 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 2.8-4.4 8212/2.1=93, 8208/2.1=92...(19) QE PHE 45 - HG LEU 2 far 0 87 0 - 6.3-8.3 QE PHE 45 - HG2 ARG 79 far 0 82 0 - 8.6-12.7 QE PHE 45 - HG3 ARG 79 far 0 81 0 - 9.7-12.6 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 4 assignments used, quality = 1.00: QD TYR 41 + QD2 LEU 6 OK 100 100 100 100 2.0-3.5 2.2/8911=43, 2.5/8874=37...(27) QE TYR 41 + QD2 LEU 6 OK 85 87 100 98 2.7-4.3 8911=39, 2.2/14618=33...(23) HD1 TRP 92 - QD2 LEU 14 far 0 36 0 - 6.3-9.8 QE TYR 41 - QD2 LEU 14 far 0 56 0 - 9.9-11.7 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 2.6-4.4 8212/2.1=73, 2.2/8215=72...(20) Violated in 2 structures by 0.02 A. Peak 8209 from cnoeabs.peaks (6.45, 0.69, 24.21 ppm; 4.08 A): 0 out of 2 assignments used, quality = 0.00: QD TYR 4 - QD2 LEU 6 poor 20 93 25 86 4.1-6.1 2.5/8148=21, 2.5/8230=18...(17) QE TYR 4 - QD2 LEU 6 far 0 100 0 - 5.7-7.5 Violated in 18 structures by 1.06 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 100 100 100 100 1.9-3.7 2.5/8227=63...(22) QE TYR 41 + QD1 LEU 6 OK 65 79 85 97 3.6-5.2 8911/2.1=44, 4.4/8227=42...(15) QD TYR 41 - QD2 LEU 57 far 0 68 0 - 7.9-10.1 QE TYR 41 - QD2 LEU 57 far 0 46 0 - 8.3-10.8 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 3.5-4.7 2.2/8212=93, ~8208=64...(11) QD PHE 45 - QD2 LEU 57 far 0 68 0 - 8.9-10.1 Violated in 0 structures by 0.00 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 99 100 100 100 1.9-3.0 8208/2.1=67, 2.2/8214=53...(19) QE PHE 45 - QD2 LEU 57 far 0 67 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 8213 from cnoeabs.peaks (6.41, 0.77, 25.58 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.82: QD TYR 4 + QD1 LEU 6 OK 82 85 100 96 4.9-6.0 2.5/8147=35, 2.5/8228=34...(18) QE TYR 4 - QD1 LEU 6 far 0 63 0 - 6.5-7.5 QD TYR 4 - QD2 LEU 57 far 0 51 0 - 8.0-9.5 QE TYR 4 - QD2 LEU 57 far 0 36 0 - 9.8-11.4 Violated in 14 structures by 0.21 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 2.2-4.2 2.2/8212=88, 8215/2.1=86...(17) HZ PHE 45 - QD2 LEU 57 far 0 67 0 - 8.2-10.2 Violated in 0 structures by 0.00 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 2.3-4.1 2.2/8208=66, 8214/2.1=52...(19) Violated in 2 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 4.4-4.5 3.0/6072=96, 3.0/8256=64...(16) HA VAL 5 + HA LEU 6 OK 97 97 100 100 4.4-4.5 6059/2.9=92, 3.2/8178=58...(26) HA TYR 4 - HA LEU 6 far 0 88 0 - 6.9-7.3 HA VAL 54 - HA LEU 6 far 0 59 0 - 6.9-7.8 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 THR 31 + HA LEU 6 OK 99 100 100 99 3.7-4.3 8251/6072=84...(10) HA ILE 56 + HA LEU 6 OK 98 99 100 100 4.3-5.1 8216/2.9=78, 3.2/9308=46...(16) HA ARG 30 + HA LEU 6 OK 89 92 100 96 4.7-5.0 3.0/8698=77, 3.0/8234=47...(6) 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 4.1-5.3 3.0/6073=50, ~6074=49...(23) HA VAL 5 + HB2 LEU 6 OK 42 93 45 99 4.2-5.6 6059/6064=70...(22) HA VAL 54 - HB2 LEU 6 far 0 70 0 - 6.0-8.2 HA TYR 4 - HB2 LEU 6 far 0 94 0 - 7.5-8.9 Violated in 1 structures by 0.00 A. Peak 8221 from cnoeabs.peaks (4.88, 1.18, 44.10 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 56 + HB2 LEU 6 OK 100 100 100 100 2.3-4.5 3.2/8235=67...(16) HA THR 31 + HB2 LEU 6 OK 52 99 55 96 4.1-6.6 10165/10337=66...(7) HA ARG 30 - HB2 LEU 6 far 0 77 0 - 5.8-7.7 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 3 assignments used, quality = 1.00: HA VAL 5 + HB3 LEU 6 OK 100 100 100 100 4.2-5.7 6059/6065=93, ~8178=40...(21) HA ILE 7 + HB3 LEU 6 OK 90 90 100 100 4.2-5.2 3.0/6074=86, 8220/1.8=60...(23) HA TYR 4 - HB3 LEU 6 far 0 70 0 - 7.6-8.8 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 2.3-4.8 3.2/10672=73...(16) HA THR 31 + HB3 LEU 6 OK 42 99 45 94 4.3-6.7 8251/6074=63...(7) HA ARG 30 - HB3 LEU 6 far 0 77 0 - 6.1-7.6 Violated in 0 structures by 0.00 A. Peak 8224 from cnoeabs.peaks (5.13, 1.52, 27.00 ppm; 4.95 A): 3 out of 18 assignments used, quality = 0.99: HA VAL 5 + HG LEU 6 OK 92 93 100 99 3.7-4.5 6059/209=74, 8218/3.7=30...(23) HA LEU 3 + HG LEU 2 OK 81 86 95 99 3.5-5.9 ~83=55, ~6022=53...(14) HA VAL 54 + HG LEU 6 OK 46 70 70 95 4.5-6.3 3.2/10207=51...(14) HA VAL 54 - HG2 ARG 79 poor 12 50 40 62 4.9-8.8 9259/9251=15...(14) HA TYR 4 - HG LEU 6 far 5 94 5 - 5.8-6.4 HA VAL 54 - HG3 ARG 79 far 0 49 0 - 5.9-8.9 HA TYR 4 - HG LEU 2 far 0 77 0 - 6.3-8.2 HA ILE 7 - HG LEU 6 far 0 100 0 - 6.3-6.8 HA VAL 5 - HG2 ARG 79 far 0 72 0 - 6.5-9.8 HA VAL 54 - HG LEU 2 far 0 54 0 - 7.0-9.6 HA LEU 3 - HG2 ARG 79 far 0 82 0 - 7.5-11.7 HA VAL 5 - HG3 ARG 79 far 0 71 0 - 7.6-10.1 HA LEU 3 - HG3 ARG 79 far 0 81 0 - 8.1-12.2 HA LEU 3 - HG LEU 6 far 0 100 0 - 8.7-9.6 HA TYR 4 - HG2 ARG 79 far 0 73 0 - 9.1-12.7 HA ILE 7 - HG2 ARG 79 far 0 81 0 - 9.4-13.1 HA VAL 5 - HG LEU 2 far 0 76 0 - 9.8-11.8 HA TYR 4 - HG3 ARG 79 far 0 72 0 - 9.9-13.1 Violated in 0 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 VAL 5 + QD1 LEU 6 OK 86 87 100 99 4.3-5.4 6059/4.6=71, 8224/2.1=34...(22) HA VAL 54 + QD1 LEU 6 OK 75 79 100 95 4.7-5.9 ~10207=39, ~10209=36...(14) HA ILE 7 + QD2 LEU 57 OK 68 68 100 100 2.9-4.4 8272/3.1=88, 9345/3.1=76...(19) HA ILE 7 + QD1 LEU 6 OK 55 100 55 99 5.8-6.4 ~6076=58, 8220/3.1=57...(12) HA VAL 5 + QD2 LEU 57 OK 45 53 100 86 3.7-5.3 3.6/225=28, ~10695=25...(15) HA TYR 4 - QD1 LEU 6 far 10 98 10 - 6.0-7.1 HA VAL 54 - QD2 LEU 57 far 2 46 5 - 6.2-7.1 HA TYR 4 - QD2 LEU 57 far 0 63 0 - 7.2-9.0 HA LEU 3 - QD1 LEU 6 far 0 100 0 - 8.0-9.3 HA LEU 3 - QD2 LEU 57 far 0 68 0 - 9.0-10.4 HA SER 85 - QD2 LEU 57 far 0 67 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8227 from cnoeabs.peaks (2.63, 0.77, 25.58 ppm; 4.46 A): 1 out of 9 assignments used, quality = 1.00: HB3 TYR 41 + QD1 LEU 6 OK 100 100 100 100 1.9-3.3 3.0/8871=59, 8876=57...(22) HD2 ARG 30 - QD1 LEU 6 far 0 61 0 - 5.8-7.3 HG3 MET 74 - QD1 LEU 6 far 0 98 0 - 6.7-10.6 HB VAL 58 - QD2 LEU 57 far 0 36 0 - 6.9-7.6 HD3 ARG 91 - QD2 LEU 57 far 0 49 0 - 8.0-11.3 HD2 ARG 30 - QD2 LEU 57 far 0 35 0 - 8.2-12.0 HB VAL 58 - QD1 LEU 6 far 0 63 0 - 8.8-10.1 HB3 TYR 41 - QD2 LEU 57 far 0 68 0 - 9.0-10.6 HB3 ASP 77 - QD1 LEU 6 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 8228 from cnoeabs.peaks (2.31, 0.77, 25.58 ppm; 4.21 A): 2 out of 10 assignments used, quality = 1.00: HB2 TYR 41 + QD1 LEU 6 OK 100 100 100 100 2.0-2.8 1.8/8227=70, 3.0/8871=53...(21) HB2 TYR 4 + QD1 LEU 6 OK 55 95 60 97 4.3-5.5 ~8209=44, 2.5/8213=43...(20) HD3 ARG 81 - QD2 LEU 57 far 0 68 0 - 5.3-7.9 HG2 GLU 95 - QD2 LEU 57 far 0 36 0 - 6.8-10.9 HG3 GLU 43 - QD1 LEU 6 far 0 97 0 - 7.1-9.3 HB2 TYR 4 - QD2 LEU 57 far 0 60 0 - 7.2-8.9 HB2 TYR 41 - QD2 LEU 57 far 0 67 0 - 9.0-10.5 HG2 GLU 63 - QD1 LEU 6 far 0 98 0 - 9.2-12.0 HG2 GLU 63 - QD2 LEU 57 far 0 63 0 - 9.5-10.9 HG2 GLU 48 - QD1 LEU 6 far 0 85 0 - 9.9-12.7 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 2.4-3.6 8227/2.1=69, 8877=63...(22) HD2 ARG 30 + QD2 LEU 6 OK 88 88 100 100 3.5-5.2 8722=78, 3.6/8717=63...(13) HG3 MET 74 - QD2 LEU 6 far 0 82 0 - 8.8-12.4 HD3 ARG 91 - QD2 LEU 14 far 0 68 0 - 9.4-12.2 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 = 0.94: HB2 TYR 41 + QD2 LEU 6 OK 91 91 100 100 2.4-3.5 8874=57, ~8227=53...(18) HB2 TYR 4 + QD2 LEU 6 OK 39 100 40 99 3.1-6.3 2.5/8209=76, ~8213=35...(16) HG2 GLU 37 - QD2 LEU 6 far 0 68 0 - 5.7-8.2 HG3 GLU 16 - QD2 LEU 14 far 0 72 0 - 6.4-8.1 HG2 GLU 63 - QD2 LEU 14 far 0 72 0 - 7.3-10.2 HG3 GLU 43 - QD2 LEU 6 far 0 79 0 - 8.3-10.5 HG2 GLU 23 - QD2 LEU 6 far 0 88 0 - 9.6-12.0 HG2 GLU 63 - QD2 LEU 6 far 0 100 0 - 9.9-12.6 HD3 ARG 81 - QD2 LEU 14 far 0 66 0 - 10.0-11.8 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 11 assignments used, quality = 1.00: HB2 TYR 4 + HG LEU 6 OK 100 100 100 100 4.2-5.3 ~8209=80, ~8213=63...(22) HB2 TYR 41 + HG LEU 6 OK 96 96 100 100 3.7-4.8 ~8227=84, 8230/2.1=69...(19) HB2 GLU 48 + HG LEU 2 OK 87 87 100 100 2.5-5.5 9038/2.1=95, ~9042=68...(19) HG2 GLU 48 + HG LEU 2 OK 44 52 85 100 3.6-7.1 ~9042=83, ~10432=83...(15) HB2 TYR 4 + HG LEU 2 OK 37 85 45 96 6.0-8.3 4.4/8154=43, ~8041=38...(13) HD3 ARG 81 + HG2 ARG 79 OK 36 79 55 83 4.9-10.1 9253/9251=38, ~9694=25...(9) HD3 ARG 81 + HG3 ARG 79 OK 32 78 50 81 4.5-9.5 ~9694=25, ~9693=23...(10) HB2 TYR 4 - HG2 ARG 79 far 0 81 0 - 7.8-12.7 HG2 GLU 95 - HG3 ARG 79 far 0 60 0 - 8.0-13.5 HG2 GLU 95 - HG2 ARG 79 far 0 61 0 - 8.0-13.5 HB2 TYR 4 - HG3 ARG 79 far 0 80 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 8234 from cnoeabs.peaks (1.39, 5.47, 52.09 ppm; 4.79 A): 2 out of 5 assignments used, quality = 0.96: HB3 ARG 30 + HA LEU 6 OK 94 95 100 99 3.2-4.8 6484/8698=68...(13) HG12 ILE 8 + HA LEU 6 OK 24 85 35 81 5.3-6.5 8312/9308=32...(10) HG12 ILE 7 - HA LEU 6 far 0 63 0 - 6.1-6.3 QB ALA 71 - HA LEU 6 far 0 88 0 - 8.6-9.9 HG3 LYS 40 - HA LEU 6 far 0 79 0 - 9.3-13.3 Violated in 0 structures by 0.00 A. Peak 8235 from cnoeabs.peaks (0.60, 1.18, 44.10 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 56 + HB2 LEU 6 OK 100 100 100 100 2.2-4.1 10672/1.8=90, 9326=76...(30) QD1 ILE 7 - HB2 LEU 6 far 0 87 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 8236 from cnoeabs.peaks (0.60, 1.65, 44.10 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 56 + HB3 LEU 6 OK 100 100 100 100 2.3-4.2 10672=100, 8235/1.8=73...(31) QD1 ILE 7 - HB3 LEU 6 far 0 87 0 - 6.5-7.5 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 2.2-2.7 9332=100, 8292/6087=54...(21) H VAL 5 - HA ILE 7 far 0 99 0 - 7.9-8.7 H ARG 19 - HA ILE 7 far 0 79 0 - 8.1-9.5 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 4.1-4.8 9332/3.0=96, 8246/2.9=79...(14) H ARG 19 + HB ILE 7 OK 60 87 75 92 5.6-6.9 3.6/8276=42, 8245/2.1=41...(10) H VAL 5 - HB ILE 7 far 0 100 0 - 7.3-8.0 H ARG 19 - HB2 LEU 14 far 0 74 0 - 7.7-9.0 H LEU 57 - HB2 LEU 14 far 0 90 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 8244 from cnoeabs.peaks (8.66, 0.80, 16.81 ppm; 5.37 A): 2 out of 4 assignments used, quality = 1.00: H ALA 18 + QG2 ILE 7 OK 100 100 100 100 5.0-5.6 2.9/8283=93...(20) H ASP 11 + QG2 ILE 7 OK 63 96 70 94 5.9-6.7 10388/8265=70...(9) H ASN 10 - QG2 ILE 7 far 5 95 5 - 6.3-6.9 H LEU 55 - QG2 ILE 7 far 0 90 0 - 8.2-8.9 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 4.9-5.3 9332/3.0=83, 8292/256=61...(11) H ARG 19 + QG2 ILE 7 OK 80 87 95 96 4.6-5.8 3.6/8283=72...(14) H VAL 5 - QG2 ILE 7 far 0 100 0 - 7.2-7.8 Violated in 1 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 3.4-4.2 9332/237=77...(13) H ARG 19 - HG12 ILE 7 far 0 93 0 - 7.1-8.4 H VAL 5 - HG12 ILE 7 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 8247 from cnoeabs.peaks (8.68, 1.42, 27.84 ppm; 5.85 A): 1 out of 3 assignments used, quality = 0.39: H ALA 18 + HG12 ILE 7 OK 39 87 45 100 6.4-7.4 ~8283=61, ~8278=46...(14) H ASP 11 - HG12 ILE 7 far 0 100 0 - 7.7-8.3 H ASN 10 - HG12 ILE 7 far 0 61 0 - 7.9-8.5 Violated in 20 structures by 0.99 A. Peak 8248 from cnoeabs.peaks (7.81, 1.42, 27.84 ppm; 5.85 A): 1 out of 2 assignments used, quality = 1.00: H SER 9 + HG12 ILE 7 OK 100 100 100 100 5.0-5.8 6106/1.8=100...(7) H LYS 20 - HG12 ILE 7 far 0 93 0 - 9.5-11.2 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 2 assignments used, quality = 1.00: H SER 9 + HG13 ILE 7 OK 100 100 100 100 3.9-4.2 6106=99, 8248/1.8=88...(13) H LYS 20 - HG13 ILE 7 far 0 87 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 8250 from cnoeabs.peaks (8.91, 0.89, 27.84 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.91: H LEU 57 + HG13 ILE 7 OK 91 91 100 100 4.8-5.5 8246/1.8=94, 9332/3.9=81...(12) H ARG 19 - HG13 ILE 7 far 10 99 10 - 6.9-8.3 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 4.1-4.5 6072/6079=87...(14) Violated in 0 structures by 0.00 A. Peak 8254 from cnoeabs.peaks (4.88, 1.52, 41.02 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: HA THR 31 + HB ILE 7 OK 99 99 100 100 4.3-4.5 8255/2.1=82, 3.2/8732=71...(14) HA ILE 56 - HB ILE 7 far 0 100 0 - 5.3-6.3 HA ARG 30 - HB ILE 7 far 0 77 0 - 6.7-7.0 HA THR 31 - HB2 LEU 14 far 0 89 0 - 8.9-11.3 Violated in 20 structures by 0.13 A. Peak 8255 from cnoeabs.peaks (4.89, 0.80, 16.81 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.99: HA THR 31 + QG2 ILE 7 OK 99 100 100 99 1.9-2.2 3.2/8282=63, 8254/2.1=55...(16) HA ARG 30 - QG2 ILE 7 far 0 91 0 - 4.9-5.4 HA ILE 56 - QG2 ILE 7 far 0 99 0 - 5.8-6.5 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 = 0.98: HA LEU 6 + QG2 ILE 7 OK 98 99 100 100 3.9-4.2 6072/4.0=80, 8253/2.1=68...(16) Violated in 0 structures by 0.00 A. Peak 8257 from cnoeabs.peaks (3.92, 0.89, 27.84 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: HB3 SER 9 + HG13 ILE 7 OK 100 100 100 100 3.0-4.4 8328=100, 1.8/8322=90...(19) HA ALA 89 - HG13 ILE 7 far 0 92 0 - 6.7-7.6 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 6 assignments used, quality = 1.00: HB2 SER 9 + HG13 ILE 7 OK 100 100 100 100 3.0-4.2 8322=100, 8325/2.1=91...(19) HB3 ASP 11 - HG13 ILE 7 far 0 100 0 - 7.0-8.6 HE3 LYS 33 - HG13 ILE 7 far 0 81 0 - 7.8-12.5 HE2 LYS 33 - HG13 ILE 7 far 0 81 0 - 8.1-12.4 HE2 LYS 12 - HG13 ILE 7 far 0 96 0 - 8.6-12.3 HE3 LYS 12 - HG13 ILE 7 far 0 82 0 - 9.8-12.8 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 4 assignments used, quality = 1.00: HB3 SER 9 + QD1 ILE 7 OK 100 100 100 100 3.3-4.4 8331=99, 1.8/8325=84...(20) HA ALA 89 + QD1 ILE 7 OK 78 92 100 85 3.7-5.0 2.1/12172=43...(11) HB2 SER 85 - QD1 ILE 7 far 0 94 0 - 7.8-9.1 HA ARG 91 - QD1 ILE 7 far 0 71 0 - 8.4-10.4 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 4.1-5.0 ~8283=67, 2.1/8278=56...(17) HA ARG 19 + QD1 ILE 7 OK 61 75 100 81 5.4-6.3 4.9/8278=43...(7) HA LEU 64 - QD1 ILE 7 far 0 81 0 - 9.4-10.3 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 1.9-2.9 8459=55, 678/8469=50...(25) 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 3.3-4.5 8325=99, 1.8/8331=92...(25) HB3 ASP 11 + QD1 ILE 7 OK 41 100 50 82 5.6-7.0 8445/8469=28...(10) HE2 LYS 12 - QD1 ILE 7 far 0 96 0 - 6.8-10.8 HE3 LYS 12 - QD1 ILE 7 far 0 82 0 - 7.6-11.4 HE3 LYS 33 - QD1 ILE 7 far 0 81 0 - 8.1-11.8 HE2 LYS 33 - QD1 ILE 7 far 0 81 0 - 8.3-11.8 HE2 LYS 13 - QD1 ILE 7 far 0 73 0 - 9.3-11.6 HE3 LYS 13 - QD1 ILE 7 far 0 70 0 - 9.6-11.4 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 2 assignments used, quality = 0.99: HB THR 31 + QG2 ILE 7 OK 99 99 100 100 3.2-3.9 2.1/8282=99, 3.0/8255=82...(18) HA ASP 87 - QG2 ILE 7 far 0 99 0 - 10.0-11.2 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 3 assignments used, quality = 1.00: HB3 SER 9 + QG2 ILE 7 OK 100 100 100 100 4.0-4.5 1.8/8267=81, 8331/3.0=49...(20) HA ALA 89 - QG2 ILE 7 far 0 84 0 - 6.9-7.7 HA GLU 63 - QG2 ILE 7 far 0 98 0 - 9.6-10.6 Violated in 18 structures by 0.16 A. Peak 8267 from cnoeabs.peaks (3.00, 0.80, 16.81 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.95: HB2 SER 9 + QG2 ILE 7 OK 95 100 95 100 3.9-5.1 1.8/8265=70, 8325/3.0=45...(23) HE2 LYS 12 - QG2 ILE 7 far 0 99 0 - 5.6-9.8 HE2 LYS 33 - QG2 ILE 7 far 0 87 0 - 5.8-9.2 HE3 LYS 33 - QG2 ILE 7 far 0 87 0 - 5.9-9.3 HE3 LYS 12 - QG2 ILE 7 far 0 75 0 - 6.3-10.1 HB3 ASP 11 - QG2 ILE 7 far 0 100 0 - 6.8-7.9 Violated in 19 structures by 0.24 A. Peak 8271 from cnoeabs.peaks (1.20, 5.13, 58.46 ppm; 4.23 A): 3 out of 3 assignments used, quality = 1.00: HB2 LEU 57 + HA ILE 7 OK 99 99 100 100 3.4-4.4 1.8/8272=82, 9345=68...(22) HB2 LEU 6 + HA ILE 7 OK 65 87 75 100 4.1-5.3 8220=47, ~6074=42...(21) QB ALA 18 + HA ILE 7 OK 27 87 35 89 5.0-5.6 8283/3.0=55, 8278/4.2=27...(11) 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 2.0-2.8 9344=68, 6938/9332=57...(26) HB ILE 93 - HA ILE 7 far 0 94 0 - 9.2-10.8 HB2 GLU 88 - HA ILE 7 far 0 98 0 - 9.9-10.8 HB3 LYS 90 - HA ILE 7 far 0 98 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 8273 from cnoeabs.peaks (1.90, 5.13, 58.46 ppm; 4.50 A): 2 out of 8 assignments used, quality = 1.00: HB ILE 8 + HA ILE 7 OK 99 100 100 100 4.4-4.7 6094/6087=83, 8299=74...(15) HB VAL 32 + HA ILE 7 OK 47 61 95 81 4.9-5.5 8270/3.0=36...(11) HB3 LEU 14 - HA ILE 7 far 0 100 0 - 7.5-9.1 HB3 ARG 19 - HA ILE 7 far 0 82 0 - 8.4-11.7 HB2 ARG 19 - HA ILE 7 far 0 99 0 - 8.7-11.8 HB VAL 54 - HA ILE 7 far 0 95 0 - 9.2-10.5 HG LEU 42 - HA ILE 7 far 0 100 0 - 9.5-11.3 HB2 LYS 33 - HA ILE 7 far 0 96 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 8275 from cnoeabs.peaks (1.14, 1.52, 41.02 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 31 + HB ILE 7 OK 100 100 100 100 3.8-4.2 8732=100, 8282/2.1=88...(14) HB2 LEU 6 - HB ILE 7 far 0 63 0 - 5.2-6.5 HB2 LEU 29 - HB ILE 7 far 0 95 0 - 6.2-6.7 QG2 THR 31 - HB2 LEU 14 far 0 91 0 - 6.4-8.3 HG3 LYS 82 - HB2 LEU 14 far 0 90 0 - 9.5-11.7 Violated in 13 structures by 0.06 A. Peak 8276 from cnoeabs.peaks (1.22, 1.52, 41.02 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 18 + HB ILE 7 OK 99 99 100 100 3.1-3.7 8283/2.1=89, 8278/3.2=48...(19) HB2 LEU 57 + HB ILE 7 OK 83 87 95 100 4.1-5.7 1.8/8277=81, ~8272=51...(30) QB ALA 18 - HB2 LEU 14 far 4 89 5 - 5.4-6.5 HB2 LEU 57 - HB2 LEU 14 far 0 74 0 - 6.8-8.8 QG2 THR 84 - HB2 LEU 14 far 0 75 0 - 7.9-9.7 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 9 assignments used, quality = 0.97: HB3 LEU 57 + HB ILE 7 OK 97 97 100 100 3.0-4.0 8272/3.0=70, 8287/3.2=66...(30) HB3 LEU 57 - HB2 LEU 14 far 0 85 0 - 7.6-9.4 HB2 GLU 88 - HB2 LEU 14 far 0 91 0 - 7.7-9.0 HB2 LYS 90 - HB2 LEU 14 far 0 91 0 - 7.9-12.0 HB ILE 93 - HB ILE 7 far 0 100 0 - 8.0-9.0 HB3 LYS 90 - HB2 LEU 14 far 0 74 0 - 8.0-12.1 HB3 LYS 90 - HB ILE 7 far 0 87 0 - 8.0-11.7 HB2 LYS 90 - HB ILE 7 far 0 100 0 - 8.5-11.7 HB2 GLU 88 - HB ILE 7 far 0 100 0 - 9.7-11.0 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 1.9-2.5 8283/3.0=40, 643/8261=34...(21) HB2 LEU 57 + QD1 ILE 7 OK 73 79 95 98 2.6-4.4 1.8/8287=42, ~8284=26...(26) QG2 THR 84 - QD1 ILE 7 far 0 94 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 8279 from cnoeabs.peaks (1.12, 0.62, 13.69 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.94: QG2 THR 31 + QD1 ILE 7 OK 94 94 100 100 3.8-4.6 8282/3.0=70, 8732/3.2=68...(18) HB2 LEU 29 - QD1 ILE 7 far 0 63 0 - 6.3-7.2 HG3 LYS 82 - QD1 ILE 7 far 0 96 0 - 7.4-9.0 Violated in 3 structures by 0.01 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 4.3-4.9 8279/2.1=90, 8732/2.9=90...(15) HG3 LYS 82 - HG13 ILE 7 far 0 99 0 - 8.3-10.0 HB2 LEU 29 - HG13 ILE 7 far 0 73 0 - 8.9-9.7 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 3.6-5.1 1.8/8285=77, ~8284=63...(25) QB ALA 18 + HG13 ILE 7 OK 92 93 100 99 4.1-4.9 8283/3.2=69, 8278/2.1=50...(13) HB2 LEU 6 - HG13 ILE 7 far 0 79 0 - 6.8-8.0 QG2 THR 84 - HG13 ILE 7 far 0 70 0 - 9.1-10.6 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 1.8-2.0 8732/2.1=53, 3.2/8255=38...(18) HB2 LEU 6 - QG2 ILE 7 far 0 63 0 - 4.5-6.1 HB2 LEU 29 - QG2 ILE 7 far 0 95 0 - 5.9-6.5 QG2 THR 34 - QG2 ILE 7 far 0 73 0 - 8.3-8.9 HG3 LYS 82 - QG2 ILE 7 far 0 100 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 8283 from cnoeabs.peaks (1.22, 0.80, 16.81 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 18 + QG2 ILE 7 OK 97 100 100 97 3.2-3.7 8278/3.0=39, 643/637=29...(21) HB2 LEU 57 - QG2 ILE 7 far 0 79 0 - 4.9-6.1 QG2 THR 84 - QG2 ILE 7 far 0 94 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 8284 from cnoeabs.peaks (1.83, 1.42, 27.84 ppm; 4.38 A): 1 out of 6 assignments used, quality = 1.00: HB3 LEU 57 + HG12 ILE 7 OK 100 100 100 100 1.9-2.8 12134=80, 8287/2.1=71...(27) HB VAL 5 - HG12 ILE 7 far 0 77 0 - 7.1-8.4 HB3 LYS 90 - HG12 ILE 7 far 0 100 0 - 8.0-11.8 HB2 GLU 88 - HG12 ILE 7 far 0 90 0 - 8.1-9.0 HB ILE 93 - HG12 ILE 7 far 0 81 0 - 8.5-10.5 HB2 LYS 90 - HG12 ILE 7 far 0 93 0 - 8.6-11.5 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 3.3-4.5 12133=95, 8287/2.1=86...(26) HB3 GLU 63 - HG13 ILE 7 far 0 65 0 - 8.3-9.5 HB2 LYS 90 - HG13 ILE 7 far 0 100 0 - 8.8-12.7 HB3 LYS 90 - HG13 ILE 7 far 0 92 0 - 8.9-12.6 HB2 GLU 88 - HG13 ILE 7 far 0 100 0 - 8.9-9.9 HB ILE 93 - HG13 ILE 7 far 0 99 0 - 9.7-11.0 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 16 assignments used, quality = 1.00: HG12 ILE 15 + QD1 ILE 7 OK 96 96 100 100 2.8-5.4 2.1/8469=88, 1.8/8470=62...(21) HB ILE 15 + QD1 ILE 7 OK 91 91 100 100 4.1-5.3 3.0/8261=74, 3.2/8469=72...(28) HD2 LYS 90 - QD1 ILE 7 far 4 75 5 - 4.8-9.2 HD3 LYS 90 - QD1 ILE 7 far 0 98 0 - 5.6-9.1 HG2 PRO 86 - QD1 ILE 7 far 0 96 0 - 7.1-8.1 HD3 LYS 12 - QD1 ILE 7 far 0 99 0 - 7.2-10.2 HD2 LYS 12 - QD1 ILE 7 far 0 99 0 - 7.3-10.0 HD3 LYS 20 - QD1 ILE 7 far 0 70 0 - 7.3-10.3 HG3 LYS 20 - QD1 ILE 7 far 0 70 0 - 7.5-10.5 HD2 LYS 13 - QD1 ILE 7 far 0 99 0 - 7.7-10.4 HD2 LYS 20 - QD1 ILE 7 far 0 75 0 - 7.8-10.0 HB3 ARG 91 - QD1 ILE 7 far 0 84 0 - 8.6-10.4 HD3 LYS 13 - QD1 ILE 7 far 0 100 0 - 8.6-10.4 HD2 LYS 33 - QD1 ILE 7 far 0 96 0 - 9.2-11.5 HD3 LYS 33 - QD1 ILE 7 far 0 96 0 - 9.7-11.4 HD2 ARG 81 - QD1 ILE 7 far 0 95 0 - 9.7-12.2 Violated in 3 structures by 0.02 A. Peak 8287 from cnoeabs.peaks (1.82, 0.62, 13.69 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.99: HB3 LEU 57 + QD1 ILE 7 OK 99 99 100 100 2.4-3.7 8284/2.1=62, 8285/2.1=60...(28) HB3 LYS 90 - QD1 ILE 7 far 0 94 0 - 5.5-8.7 HB2 LYS 90 - QD1 ILE 7 far 0 100 0 - 5.6-8.7 HB2 GLU 88 - QD1 ILE 7 far 0 100 0 - 6.0-7.5 HB ILE 93 - QD1 ILE 7 far 0 98 0 - 6.1-7.7 HB3 GLU 63 - QD1 ILE 7 far 0 61 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 8293 from cnoeabs.peaks (8.48, 1.90, 37.66 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: H VAL 32 + HB ILE 8 OK 100 100 100 100 5.2-6.2 10147/3.0=94...(10) H ILE 7 + HB ILE 8 OK 92 92 100 100 5.9-6.7 3.0/8299=88, 4.7/6094=87...(11) H ALA 67 - HB ILE 8 far 10 100 10 - 6.5-7.8 H THR 31 - HB ILE 8 far 0 94 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 8294 from cnoeabs.peaks (8.49, 1.36, 26.30 ppm; 5.18 A): 2 out of 4 assignments used, quality = 1.00: H VAL 32 + HG12 ILE 8 OK 99 99 100 100 2.9-4.2 6509/12204=82, 10513=76...(14) H ILE 7 + HG12 ILE 8 OK 75 75 100 100 3.8-5.4 4.7/6096=69, 3.0/8303=61...(18) H ALA 67 - HG12 ILE 8 far 0 99 0 - 6.7-8.8 H THR 31 - HG12 ILE 8 far 0 100 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 8296 from cnoeabs.peaks (8.48, 0.89, 26.30 ppm; 5.63 A): 2 out of 4 assignments used, quality = 1.00: H VAL 32 + HG13 ILE 8 OK 100 100 100 100 3.7-5.3 10513/1.8=90...(13) H ILE 7 + HG13 ILE 8 OK 82 82 100 100 4.5-6.3 3.0/8305=69, ~8303=55...(13) H ALA 67 - HG13 ILE 8 far 5 100 5 - 6.2-8.0 H THR 31 - HG13 ILE 8 far 0 99 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 8297 from cnoeabs.peaks (8.49, 0.71, 13.69 ppm; 4.63 A): 5 out of 14 assignments used, quality = 1.00: H VAL 32 + QD1 ILE 8 OK 99 99 100 100 4.4-5.5 6509/12200=74, 10514=64...(12) H ALA 67 + QD1 ILE 56 OK 81 95 85 100 4.5-7.1 ~10677=50, ~10680=43...(16) H ALA 67 + QD1 ILE 8 OK 79 99 100 80 3.6-5.4 2.9/10681=23, 9520=19...(12) H ARG 79 + QD1 ILE 56 OK 74 96 100 78 3.7-5.4 9697/2593=46...(9) H ILE 7 + QD1 ILE 8 OK 57 73 80 98 3.9-6.0 ~8303=34, 8270/12200=34...(18) H ILE 7 - QD1 ILE 56 far 7 68 10 - 4.5-8.2 H VAL 54 - QD1 ILE 56 far 5 98 5 - 5.0-6.6 H VAL 32 - QD1 ILE 56 far 0 95 0 - 6.2-9.7 H THR 31 - QD1 ILE 8 far 0 100 0 - 7.2-8.4 H THR 31 - QD1 ILE 56 far 0 97 0 - 7.4-11.2 H ARG 79 - QD1 ILE 8 far 0 99 0 - 7.7-9.9 H LYS 53 - QD1 ILE 56 far 0 83 0 - 8.1-9.9 H LEU 29 - QD1 ILE 56 far 0 55 0 - 9.1-12.5 H VAL 54 - QD1 ILE 8 far 0 100 0 - 9.6-11.2 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 4.4-4.7 6087/6094=92, 8273=67...(15) HA VAL 5 - HB ILE 8 far 0 87 0 - 10.0-10.9 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 2.0-3.0 9374=100, 10703/2.1=62...(28) 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 2.7-4.0 2.1/10224=96...(26) 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 3.5-4.1 9374/2.1=93, 10703=82...(26) HA VAL 58 - QG2 ILE 15 far 0 70 0 - 8.1-9.6 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 3.7-4.7 6087/6096=98...(16) HA VAL 5 - HG12 ILE 8 far 0 87 0 - 8.5-9.8 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 4.3-5.5 9374/2.9=99...(27) 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 3.5-5.8 6087/4.6=88, 8303/1.8=83...(14) HA VAL 5 - HG13 ILE 8 far 0 97 0 - 8.0-10.9 Violated in 1 structures by 0.00 A. Peak 8306 from cnoeabs.peaks (3.86, 0.71, 13.69 ppm; 4.21 A): 4 out of 13 assignments used, quality = 1.00: HA ALA 67 + QD1 ILE 56 OK 91 97 95 99 3.0-5.2 ~10677=51, ~9528=43...(22) HA LEU 38 + QD1 ILE 8 OK 85 97 95 92 4.4-5.2 8855=58, 3.0/12201=27...(10) HA ALA 67 + QD1 ILE 8 OK 54 100 100 54 3.7-4.9 2.1/10681=24...(10) HA LEU 38 + QD1 ILE 56 OK 45 93 75 65 4.0-6.6 8855=27, 3.0/12202=20...(9) HA ALA 71 - QD1 ILE 56 poor 15 93 75 22 3.9-6.4 3.0/9550=7, 8924/1948=5...(8) HA GLU 35 - QD1 ILE 8 poor 14 82 40 42 3.5-5.9 12057/8851=14...(8) HA GLU 35 - QD1 ILE 56 far 0 77 0 - 6.4-8.3 HA ALA 71 - QD1 ILE 8 far 0 97 0 - 7.8-9.1 HB2 SER 102 - QD1 ILE 56 far 0 65 0 - 8.7-17.5 HA LYS 40 - QD1 ILE 56 far 0 97 0 - 8.7-10.6 HA GLU 43 - QD1 ILE 56 far 0 83 0 - 9.0-10.5 HA2 GLY 101 - QD1 ILE 56 far 0 97 0 - 9.7-17.1 HA LYS 40 - QD1 ILE 8 far 0 100 0 - 9.9-10.5 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 3.2-4.5 8301/3.2=77, ~10224=65...(30) HB VAL 58 - QD1 ILE 56 far 0 92 0 - 7.0-8.0 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 9 assignments used, quality = 1.00: HB2 GLU 63 + QD1 ILE 8 OK 100 100 100 100 2.3-4.1 10744/3.0=69, ~10746=55...(16) HG2 GLU 35 - QD1 ILE 8 far 5 100 5 - 5.1-9.1 HG3 GLU 35 - QD1 ILE 8 far 0 100 0 - 6.0-8.6 HB3 GLN 72 - QD1 ILE 56 far 0 55 0 - 6.3-9.6 HB2 GLU 63 - QD1 ILE 56 far 0 98 0 - 6.5-7.9 HG2 GLU 35 - QD1 ILE 56 far 0 98 0 - 6.6-10.4 HB2 GLN 72 - QD1 ILE 56 far 0 67 0 - 7.3-10.6 HG3 GLU 35 - QD1 ILE 56 far 0 98 0 - 7.4-10.2 HG2 GLU 43 - QD1 ILE 56 far 0 96 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 8309 from cnoeabs.peaks (2.19, 0.79, 17.45 ppm; 4.97 A): 2 out of 13 assignments used, quality = 1.00: HB2 GLU 63 + QG2 ILE 8 OK 99 99 100 100 2.0-3.6 10744=93, 1.8/10746=74...(19) HB3 GLU 16 + QG2 ILE 15 OK 56 56 100 99 3.4-5.2 3.0/8530=82, 6238/4.4=67...(9) HB3 GLN 50 - QG2 ILE 52 poor 13 63 20 - 4.2-7.0 HG2 MET 1 - QG2 ILE 52 far 0 66 0 - 6.0-7.8 HG2 GLU 35 - QG2 ILE 8 far 0 99 0 - 6.7-9.1 HG3 GLU 35 - QG2 ILE 8 far 0 99 0 - 7.1-9.1 HB3 GLU 75 - QG2 ILE 52 far 0 68 0 - 7.5-9.0 HB3 GLU 23 - QG2 ILE 15 far 0 40 0 - 8.6-10.2 HG2 GLU 75 - QG2 ILE 52 far 0 61 0 - 8.7-10.7 HG2 GLU 43 - QG2 ILE 52 far 0 69 0 - 9.0-11.0 HG3 PRO 86 - QG2 ILE 15 far 0 69 0 - 9.1-10.9 HG3 GLU 75 - QG2 ILE 52 far 0 63 0 - 9.3-10.7 HG2 GLU 99 - QG2 ILE 52 far 0 42 0 - 9.9-14.7 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 100 100 100 100 2.1-5.0 10425=69, 3.0/10744=55...(13) HG3 GLU 16 + QG2 ILE 15 OK 63 69 95 97 3.7-5.4 6240/4.4=59, 4.1/8530=57...(9) HB2 GLU 48 + QG2 ILE 52 OK 43 67 65 100 2.9-5.8 9040/3.1=61...(31) HB2 TYR 4 + QG2 ILE 52 OK 33 68 50 96 4.4-7.1 4.4/14596=30...(20) HG2 GLU 62 - QG2 ILE 8 far 0 82 0 - 5.7-9.1 HG2 GLU 37 - QG2 ILE 8 far 0 73 0 - 5.7-8.0 HG3 GLU 62 - QG2 ILE 8 far 0 82 0 - 5.9-9.9 HG2 GLU 23 - QG2 ILE 15 far 0 59 0 - 7.4-8.4 HB2 TYR 41 - QG2 ILE 52 far 0 53 0 - 7.6-10.2 HG3 GLU 43 - QG2 ILE 52 far 0 43 0 - 8.7-11.4 HB2 TYR 41 - QG2 ILE 8 far 0 87 0 - 9.0-10.7 HG2 GLU 37 - QG2 ILE 15 far 0 44 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 8312 from cnoeabs.peaks (0.61, 1.36, 26.30 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.98: QG2 ILE 56 + HG12 ILE 8 OK 98 100 100 99 3.1-4.3 10673/2.9=67...(20) QD1 ILE 7 - HG12 ILE 8 far 0 97 0 - 6.1-6.8 QD2 LEU 29 - HG12 ILE 8 far 0 65 0 - 6.8-8.6 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 95 97 100 97 1.9-3.1 3.0=87, 9734/10682=20...(17) QG2 ILE 56 + QD1 ILE 8 OK 81 100 100 81 1.8-3.0 8312/2.1=23, 2575=23...(17) QD1 ILE 7 - QD1 ILE 8 far 0 87 0 - 5.7-6.9 QD1 ILE 7 - QD1 ILE 56 far 0 82 0 - 6.8-9.1 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 = 0.79: QD2 LEU 14 + HA SER 9 OK 73 86 85 100 4.3-5.6 6107/2.9=65...(21) QG2 VAL 78 + HA ILE 76 OK 22 91 25 97 4.2-7.3 ~10906=44, ~10287=32...(16) QD1 LEU 14 - HA SER 9 far 7 72 10 - 4.9-6.5 QG1 VAL 58 - HA SER 9 far 0 76 0 - 5.5-6.8 QD1 ILE 52 - HA ILE 76 far 0 100 0 - 5.6-7.3 QD1 ILE 8 - HA SER 9 far 0 85 0 - 6.2-6.3 QD1 LEU 42 - HA ILE 76 far 0 98 0 - 6.4-7.6 QG2 VAL 58 - HA SER 9 far 0 69 0 - 6.4-7.5 QD1 ILE 56 - HA ILE 76 far 0 100 0 - 8.2-9.3 QD2 LEU 6 - HA SER 9 far 0 82 0 - 9.4-11.0 QD1 ILE 56 - HA SER 9 far 0 86 0 - 9.6-11.4 QG1 VAL 5 - HA SER 9 far 0 67 0 - 9.9-10.8 Violated in 13 structures by 0.27 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 9 assignments used, quality = 1.00: HB ILE 8 + HB2 SER 9 OK 98 100 100 98 5.0-6.5 6103/6109=88...(6) HB3 LEU 14 + HB2 SER 9 OK 98 98 100 100 2.8-4.7 3.1/8324=65, ~8403=56...(26) HB2 LYS 13 - HB2 SER 9 far 0 82 0 - 7.2-9.6 HB3 LYS 12 - HB2 SER 9 far 0 88 0 - 7.7-9.7 HB3 LYS 13 - HB2 SER 9 far 0 85 0 - 7.8-10.2 HB2 LYS 12 - HB2 SER 9 far 0 85 0 - 7.9-9.9 HB2 LYS 33 - HB2 SER 9 far 0 81 0 - 8.3-10.7 HB3 LYS 33 - HB2 SER 9 far 0 84 0 - 8.4-11.2 HB2 ARG 19 - HB2 SER 9 far 0 100 0 - 9.6-12.9 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 9 assignments used, quality = 0.99: HG12 ILE 15 + HB2 SER 9 OK 98 98 100 100 4.1-5.5 1.8/8444=55, ~10417=49...(17) HB ILE 15 + HB2 SER 9 OK 55 87 65 98 5.0-6.9 2.9/8444=46, ~10417=40...(16) HD2 LYS 12 - HB2 SER 9 far 0 100 0 - 6.2-11.5 HD3 LYS 12 - HB2 SER 9 far 0 100 0 - 7.0-11.4 HD3 LYS 13 - HB2 SER 9 far 0 100 0 - 8.5-12.2 HD3 LYS 33 - HB2 SER 9 far 0 93 0 - 8.7-11.4 HD2 LYS 33 - HB2 SER 9 far 0 93 0 - 8.7-11.3 HG2 PRO 86 - HB2 SER 9 far 0 98 0 - 8.9-10.7 HD2 LYS 13 - HB2 SER 9 far 0 100 0 - 8.9-12.0 Violated in 4 structures by 0.07 A. Peak 8321 from cnoeabs.peaks (1.43, 2.99, 64.26 ppm; 5.33 A): 1 out of 5 assignments used, quality = 1.00: HG12 ILE 7 + HB2 SER 9 OK 100 100 100 100 4.4-5.8 1.8/8322=92, 2.1/8325=90...(15) HG2 LYS 12 - HB2 SER 9 far 0 96 0 - 6.7-9.9 HD2 LYS 82 - HB2 SER 9 far 0 79 0 - 8.5-11.8 HG2 LYS 13 - HB2 SER 9 far 0 100 0 - 8.9-10.9 HG LEU 29 - HB2 SER 9 far 0 100 0 - 9.9-10.9 Violated in 6 structures by 0.08 A. Peak 8322 from cnoeabs.peaks (0.89, 2.99, 64.26 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: HG13 ILE 7 + HB2 SER 9 OK 100 100 100 100 3.0-4.2 2.1/8325=77, 3.2/8267=77...(19) HG13 ILE 8 - HB2 SER 9 far 0 100 0 - 6.3-8.1 QG1 VAL 32 - HB2 SER 9 far 0 94 0 - 7.2-8.6 QD1 LEU 38 - HB2 SER 9 far 0 79 0 - 8.2-12.9 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 8 assignments used, quality = 1.00: QD1 ILE 15 + HB2 SER 9 OK 86 88 100 97 1.9-4.3 2.1/8444=28...(24) QG2 ILE 7 + HB2 SER 9 OK 86 96 90 99 3.9-5.1 8267=71, 8265/1.8=54...(23) HG13 ILE 15 + HB2 SER 9 OK 77 81 100 96 3.0-4.4 1.8/8320=27, ~10417=27...(22) QG2 ILE 8 - HB2 SER 9 far 0 100 0 - 4.6-5.4 QG2 ILE 15 - HB2 SER 9 far 0 82 0 - 5.4-6.6 QD2 LEU 57 - HB2 SER 9 far 0 98 0 - 7.2-9.0 QD2 LEU 38 - HB2 SER 9 far 0 57 0 - 8.1-11.1 QD1 ILE 93 - HB2 SER 9 far 0 98 0 - 8.3-9.5 Violated in 2 structures by 0.02 A. Peak 8324 from cnoeabs.peaks (0.71, 2.99, 64.26 ppm; 3.74 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 14 + HB2 SER 9 OK 100 100 100 100 2.4-3.4 8414=65, 10408/1.8=47...(31) QD1 LEU 14 + HB2 SER 9 OK 49 71 70 99 3.6-4.9 2.1/8414=46, ~10408=29...(21) QG1 VAL 58 - HB2 SER 9 far 0 99 0 - 5.6-7.9 QD1 ILE 8 - HB2 SER 9 far 0 100 0 - 6.2-7.5 QG2 VAL 58 - HB2 SER 9 far 0 68 0 - 6.5-8.4 QG1 VAL 5 - HB2 SER 9 far 0 96 0 - 8.1-9.7 QD1 ILE 56 - HB2 SER 9 far 0 100 0 - 9.0-12.1 QD2 LEU 6 - HB2 SER 9 far 0 87 0 - 9.0-10.4 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 3.3-4.5 3.0/8267=78, 8331/1.8=77...(25) QG2 ILE 56 - HB2 SER 9 far 0 97 0 - 7.2-9.4 QD2 LEU 29 - HB2 SER 9 far 0 79 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 8326 from cnoeabs.peaks (1.71, 3.92, 64.26 ppm; 5.05 A): 3 out of 15 assignments used, quality = 0.97: HG12 ILE 15 + HB3 SER 9 OK 93 98 95 100 3.9-6.2 2.1/10417=74...(13) HG2 PRO 86 + HB2 SER 85 OK 33 67 50 100 4.4-6.3 9875/1.8=75...(14) HB ILE 15 + HB3 SER 9 OK 26 87 30 98 5.1-6.9 3.2/10417=63, ~8444=39...(11) HD2 LYS 12 - HB3 SER 9 far 0 100 0 - 6.3-11.4 HD2 LYS 90 - HB2 SER 85 far 0 43 0 - 6.6-10.1 HD3 LYS 90 - HB2 SER 85 far 0 70 0 - 6.8-10.7 HB3 ARG 91 - HB2 SER 85 far 0 57 0 - 7.2-10.1 HD3 LYS 12 - HB3 SER 9 far 0 100 0 - 7.3-11.5 HD2 LYS 33 - HB3 SER 9 far 0 93 0 - 8.1-12.2 HG2 PRO 86 - HB3 SER 9 far 0 98 0 - 9.0-10.8 HD3 LYS 33 - HB3 SER 9 far 0 93 0 - 9.2-11.9 HD2 LYS 13 - HB3 SER 9 far 0 100 0 - 9.6-12.1 HD3 LYS 13 - HB3 SER 9 far 0 100 0 - 9.6-12.5 HD2 LYS 90 - HB3 SER 9 far 0 70 0 - 9.9-14.7 HD2 ARG 81 - HB2 SER 85 far 0 61 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 8327 from cnoeabs.peaks (1.41, 3.92, 64.26 ppm; 6.50 A): 1 out of 4 assignments used, quality = 0.96: HG12 ILE 7 + HB3 SER 9 OK 96 96 100 100 4.0-6.0 1.8/8328=100...(15) HG2 LYS 12 - HB3 SER 9 far 10 65 15 - 6.6-9.8 HG2 LYS 13 - HB3 SER 9 far 0 91 0 - 7.8-11.1 HG LEU 29 - HB3 SER 9 far 0 84 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 4 assignments used, quality = 1.00: HG13 ILE 7 + HB3 SER 9 OK 100 100 100 100 3.0-4.4 8257=87, 8322/1.8=85...(19) HG13 ILE 8 - HB3 SER 9 far 0 100 0 - 6.5-8.1 QG1 VAL 32 - HB3 SER 9 far 0 98 0 - 7.5-8.8 QD1 LEU 38 - HB3 SER 9 far 0 70 0 - 8.3-12.2 Violated in 0 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 2.7-4.3 10417=34, 8436/4.0=29...(16) QG2 ILE 7 + HB3 SER 9 OK 89 90 100 99 4.0-4.5 8265=62, 8267/1.8=58...(19) HG13 ILE 15 + HB3 SER 9 OK 67 90 80 94 2.7-5.4 2.1/10417=36...(14) QG2 ILE 8 - HB3 SER 9 far 0 99 0 - 4.6-5.5 QG2 ILE 15 - HB3 SER 9 far 0 71 0 - 5.2-6.9 QD2 LEU 57 - HB3 SER 9 far 0 93 0 - 7.1-9.1 QD1 ILE 93 - HB3 SER 9 far 0 100 0 - 8.0-9.4 QD1 ILE 93 - HB2 SER 85 far 0 71 0 - 8.9-10.0 HG3 ARG 81 - HB2 SER 85 far 0 38 0 - 9.6-13.7 QD2 LEU 57 - HB2 SER 85 far 0 62 0 - 9.7-10.7 QD1 LEU 6 - HB3 SER 9 far 0 100 0 - 9.8-11.5 QD1 ILE 15 - HB2 SER 85 far 0 64 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 8330 from cnoeabs.peaks (0.71, 3.92, 64.26 ppm; 3.89 A): 2 out of 12 assignments used, quality = 1.00: QD2 LEU 14 + HB3 SER 9 OK 100 100 100 100 2.2-3.7 10408=62, 8324/1.8=53...(27) QD1 LEU 14 + HB3 SER 9 OK 71 71 100 99 3.2-4.8 2.1/10408=44, 10409=35...(17) QD1 LEU 14 - HB2 SER 85 poor 15 44 35 - 4.5-5.4 QG1 VAL 58 - HB3 SER 9 far 0 99 0 - 5.6-7.6 QD1 ILE 8 - HB3 SER 9 far 0 100 0 - 6.1-7.7 QG2 VAL 58 - HB3 SER 9 far 0 68 0 - 6.3-8.5 QD2 LEU 14 - HB2 SER 85 far 0 72 0 - 6.4-7.4 QG1 VAL 5 - HB3 SER 9 far 0 96 0 - 8.3-9.5 QD2 LEU 6 - HB3 SER 9 far 0 87 0 - 8.9-10.3 HG3 ARG 81 - HB2 SER 85 far 0 50 0 - 9.6-13.7 QD1 ILE 56 - HB3 SER 9 far 0 100 0 - 9.6-11.9 QG2 VAL 58 - HB2 SER 85 far 0 41 0 - 9.7-10.7 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 3.3-4.4 8325/1.8=81, 3.0/8265=77...(20) QG2 ILE 56 - HB3 SER 9 far 0 97 0 - 6.7-9.1 QD2 LEU 29 - HB3 SER 9 far 0 79 0 - 7.7-9.0 QD1 ILE 7 - HB2 SER 85 far 0 71 0 - 7.8-9.1 Violated in 0 structures by 0.00 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 2.2-3.5 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 4.4-5.2 6102/6109=98...(12) HA ASP 11 + HB2 SER 9 OK 60 85 70 100 5.2-6.9 ~10388=74, 10385/4.6=69...(16) 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 4.4-5.3 6102/6110=91...(13) HA THR 84 + HB2 SER 85 OK 35 45 95 82 4.9-6.2 3.0/9833=58, ~9834=39...(4) HA ASP 11 + HB3 SER 9 OK 29 96 30 100 5.1-7.0 3.0/10388=85...(13) HA THR 84 - HB3 SER 9 far 0 73 0 - 7.0-9.3 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 2.1-2.8 2.8=100 HG SER 9 - HB2 SER 85 far 0 71 0 - 9.1-10.7 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 99 99 100 99 5.1-5.2 6101/2.9=81, ~6102=54...(9) H SER 59 + HA SER 9 OK 94 99 100 95 4.5-5.3 9403=63, 6964/9405=59...(6) 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 2 assignments used, quality = 1.00: H ILE 8 + HB3 SER 9 OK 100 100 100 100 3.9-5.6 256/8265=76...(12) H SER 59 + HB3 SER 9 OK 59 100 70 84 4.6-6.9 9403/3.0=60, 9402=44...(5) Violated in 1 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 12 structures by 0.15 A. Peak 8353 from cnoeabs.peaks (4.60, 2.75, 39.13 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 11 + HB3 ASN 10 OK 100 100 100 100 4.2-5.7 3.0/6139=88, 8355/1.8=78...(12) HA ILE 8 - HB3 ASN 10 far 0 98 0 - 7.4-8.9 Violated in 8 structures by 0.04 A. Peak 8354 from cnoeabs.peaks (4.43, 2.93, 39.13 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.99: HA SER 9 + HB2 ASN 10 OK 99 100 100 99 4.1-5.2 6114/6118=85...(4) Violated in 8 structures by 0.03 A. Peak 8355 from cnoeabs.peaks (4.60, 2.93, 39.13 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 11 + HB2 ASN 10 OK 100 100 100 100 4.3-5.3 3.0/6138=98, 8353/1.8=87...(13) HA ILE 8 - HB2 ASN 10 far 0 98 0 - 7.7-8.8 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 3.4-3.9 8449=76, 8357/3.0=34...(7) QG2 ILE 8 - HA ASN 10 far 0 88 0 - 5.8-6.2 HG13 ILE 15 - HA ASN 10 far 0 99 0 - 6.0-6.8 QG2 ILE 7 - HA ASN 10 far 0 68 0 - 6.4-6.9 Violated in 5 structures by 0.02 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 97 5.4-5.8 8356/3.0=79...(6) QG2 ILE 8 - HB2 ASN 10 far 0 99 0 - 6.0-7.3 HG13 ILE 15 - HB2 ASN 10 far 0 87 0 - 7.8-9.2 QG2 ILE 7 - HB2 ASN 10 far 0 92 0 - 8.0-8.9 QG2 ILE 15 - HB2 ASN 10 far 0 75 0 - 8.8-9.1 Violated in 20 structures by 0.65 A. Peak 8358 from cnoeabs.peaks (2.43, 2.75, 39.13 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASP 11 + HB3 ASN 10 OK 100 100 100 100 4.6-5.6 8360/1.8=88...(5) Violated in 12 structures by 0.03 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 5.3-5.8 8356/3.0=92, 8357/1.8=67...(5) QG2 ILE 8 - HB3 ASN 10 lone 4 73 40 14 5.7-7.6 9163/8352=13 HG13 ILE 15 - HB3 ASN 10 far 0 100 0 - 7.8-9.2 QG1 VAL 58 - HB3 ASN 10 far 0 70 0 - 8.9-11.3 Violated in 19 structures by 0.12 A. Peak 8360 from cnoeabs.peaks (2.44, 2.93, 39.13 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASP 11 + HB2 ASN 10 OK 99 100 100 99 4.4-5.1 6143/6138=85...(6) Violated in 10 structures by 0.02 A. Peak 8362 from cnoeabs.peaks (1.90, 2.43, 40.97 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 14 + HB2 ASP 11 OK 100 100 100 100 4.0-4.8 8406=69, 1.8/8363=52...(18) HB2 LYS 13 + HB2 ASP 11 OK 47 96 55 89 4.4-6.5 4.6/8377=31, 8365/1.8=27...(23) HB3 LYS 13 - HB2 ASP 11 far 5 98 5 - 4.8-6.9 HB3 LYS 12 - HB2 ASP 11 far 0 68 0 - 6.1-6.9 HB2 LYS 12 - HB2 ASP 11 far 0 63 0 - 7.2-7.8 HB ILE 8 - HB2 ASP 11 far 0 100 0 - 9.9-11.5 Violated in 3 structures by 0.01 A. Peak 8363 from cnoeabs.peaks (1.52, 2.43, 40.97 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 14 + HB2 ASP 11 OK 100 100 100 100 3.8-5.3 1.8/8406=78, 8431=59...(20) HG3 LYS 13 + HB2 ASP 11 OK 21 84 30 83 4.8-7.7 3.0/8362=24, 8366/1.8=22...(14) 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 4 assignments used, quality = 0.94: QD1 LEU 14 + HB2 ASP 11 OK 83 92 90 100 4.1-5.3 3.1/8406=56...(20) QD2 LEU 14 + HB2 ASP 11 OK 64 99 65 100 4.4-6.3 8369/6143=65...(21) QG1 VAL 58 - HB2 ASP 11 far 0 88 0 - 9.8-11.4 QG2 VAL 58 - HB2 ASP 11 far 0 90 0 - 10.0-11.8 Violated in 4 structures by 0.05 A. Peak 8365 from cnoeabs.peaks (1.90, 2.99, 40.97 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 14 + HB3 ASP 11 OK 100 100 100 100 2.6-4.1 8406/1.8=64, 1.8/8366=45...(21) HB2 LYS 13 + HB3 ASP 11 OK 78 92 100 84 2.9-4.8 4.6/8379=32, 8368/3.0=25...(13) HB3 LYS 13 + HB3 ASP 11 OK 37 94 50 79 3.1-6.3 4.6/8379=32, 4.0/6171=22...(11) HB3 LYS 12 - HB3 ASP 11 far 0 77 0 - 5.4-6.4 HB2 LYS 12 - HB3 ASP 11 far 0 73 0 - 6.2-7.2 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 2.6-4.1 8363/1.8=65, ~8406=60...(21) HG3 LYS 13 + HB3 ASP 11 OK 40 65 75 82 3.7-6.9 3.0/8365=27, 4.8/6171=25...(10) HB ILE 7 - HB3 ASP 11 far 0 99 0 - 9.5-10.9 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 4 assignments used, quality = 1.00: QD1 LEU 14 + HB3 ASP 11 OK 96 96 100 100 3.4-5.0 8398/4.0=47, 8416=46...(23) QD2 LEU 14 + HB3 ASP 11 OK 91 96 95 100 3.7-5.5 8369/4.0=56, 8415/1.8=46...(26) QD1 LEU 29 - HB3 ASP 11 far 0 59 0 - 9.6-11.0 QG1 VAL 58 - HB3 ASP 11 far 0 81 0 - 9.8-11.4 Violated in 1 structures by 0.01 A. Peak 8368 from cnoeabs.peaks (1.89, 4.60, 53.23 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.93: HB3 LYS 12 + HA ASP 11 OK 82 92 100 89 4.2-4.6 4.0/369=65, 4.2/8390=35...(8) HB2 LYS 13 + HA ASP 11 OK 63 77 95 86 4.6-6.5 4.0/8390=36, 4.6/8419=29...(20) HB3 LEU 14 - HA ASP 11 far 5 96 5 - 4.9-5.6 HB3 LYS 13 - HA ASP 11 far 4 81 5 - 5.0-6.7 HB2 LYS 12 - HA ASP 11 far 0 90 0 - 5.5-5.7 Violated in 1 structures by 0.01 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 2.8-5.4 8372/6143=83...(8) Violated in 1 structures by 0.02 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 3.3-5.0 8374/1.8=94, 8372/4.0=85...(9) 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 3 assignments used, quality = 1.00: H LYS 13 + HB2 ASP 11 OK 100 100 100 100 4.2-5.0 8390/3.0=77, 6163/4.5=75...(10) H ILE 15 + HB2 ASP 11 OK 99 100 100 99 5.5-6.0 609/8406=66...(8) H GLU 17 - HB2 ASP 11 far 0 98 0 - 8.8-9.4 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 1 assignment used, quality = 0.98: H LEU 14 + HB2 ASP 11 OK 98 98 100 100 4.0-4.4 8379/1.8=82, 3.8/8406=69...(14) Violated in 0 structures by 0.00 A. Peak 8378 from cnoeabs.peaks (8.07, 2.99, 40.97 ppm; 5.99 A): 2 out of 3 assignments used, quality = 1.00: H LYS 13 + HB3 ASP 11 OK 100 100 100 100 2.9-4.6 8390/3.0=91, 6163/4.5=89...(13) H ILE 15 + HB3 ASP 11 OK 100 100 100 100 4.1-5.0 6209/8379=77...(14) H GLU 17 - HB3 ASP 11 far 0 100 0 - 7.1-7.9 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 1 assignment used, quality = 0.98: H LEU 14 + HB3 ASP 11 OK 98 98 100 100 2.4-3.1 8377/1.8=81, 12269=73...(22) Violated in 0 structures by 0.00 A. Peak 8381 from cnoeabs.peaks (0.76, 3.85, 59.58 ppm; 3.18 A): 3 out of 12 assignments used, quality = 1.00: QD1 ILE 15 + HA LYS 12 OK 99 100 100 99 1.9-3.1 8446=73, 3.2/644=40...(22) QG2 ILE 93 + HA LYS 94 OK 60 64 100 94 3.1-3.7 12249=42, ~7507=22...(22) HG13 ILE 15 + HA LYS 12 OK 24 99 25 96 3.9-5.1 2.1/8446=55, 2.9/644=44...(15) QD1 LEU 27 - HA LYS 94 far 0 69 0 - 4.2-5.3 QG2 ILE 7 - HA LYS 12 far 0 68 0 - 5.5-6.1 QD1 ILE 93 - HA LYS 94 far 0 68 0 - 5.6-5.9 HG13 ILE 93 - HA LYS 94 far 0 58 0 - 6.2-6.5 QD2 LEU 27 - HA LYS 94 far 0 41 0 - 6.2-7.5 QG1 VAL 5 - HA LYS 94 far 0 37 0 - 7.1-8.3 QD2 LEU 57 - HA LYS 94 far 0 43 0 - 8.1-9.2 QG2 ILE 8 - HA LYS 12 far 0 88 0 - 8.8-9.5 QD1 ILE 93 - HA LYS 12 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 8385 from cnoeabs.peaks (0.86, 4.15, 58.53 ppm; 5.35 A): 1 out of 6 assignments used, quality = 0.23: QG2 ILE 76 + HA GLN 72 OK 23 51 55 83 5.7-7.0 4.0/9650=68...(5) QD1 LEU 38 - HA GLN 72 far 0 69 0 - 7.4-10.1 QD2 LEU 103 - HA GLN 72 far 0 47 0 - 8.4-17.7 QD1 LEU 103 - HA GLN 72 far 0 68 0 - 8.7-19.2 HG13 ILE 7 - HA LYS 13 far 0 63 0 - 9.3-10.6 QD2 LEU 38 - HA GLN 72 far 0 41 0 - 9.7-11.5 Violated in 20 structures by 0.95 A. Peak 8386 from cnoeabs.peaks (0.71, 4.15, 58.53 ppm; 4.57 A): 2 out of 8 assignments used, quality = 0.49: QG2 VAL 78 + HA GLN 72 OK 29 68 50 86 4.6-6.8 9558/3.0=29, ~10847=29...(10) QG1 VAL 78 + HA GLN 72 OK 27 45 70 86 4.1-6.9 10906/8385=34...(9) QD1 LEU 42 - HA GLN 72 far 0 52 0 - 6.1-7.3 QD1 ILE 56 - HA GLN 72 far 0 68 0 - 6.3-9.2 QD2 LEU 14 - HA LYS 13 far 0 100 0 - 6.6-6.9 QD1 LEU 14 - HA LYS 13 far 0 63 0 - 6.6-7.0 QD1 LEU 64 - HA GLN 72 far 0 51 0 - 8.9-9.9 HG13 ILE 56 - HA GLN 72 far 0 70 0 - 9.1-11.7 Violated in 11 structures by 0.10 A. Peak 8387 from cnoeabs.peaks (0.68, 1.91, 31.45 ppm; 5.35 A): 3 out of 4 assignments used, quality = 0.94: QD1 LEU 14 + HB2 LYS 13 OK 70 100 95 74 5.0-6.4 618/4.6=43, 4.0/8393=29...(6) QD1 LEU 14 + HB3 LYS 13 OK 55 100 80 70 5.1-6.4 618/4.6=43, 4.0/8393=29...(7) QD2 LEU 14 + HB2 LYS 13 OK 55 87 80 80 5.9-7.0 626/4.6=55, 4.0/8393=29...(7) QD2 LEU 14 - HB3 LYS 13 far 9 87 10 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 8391 from cnoeabs.peaks (3.67, 4.15, 58.53 ppm; 5.25 A): 1 out of 3 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...(18) HB THR 80 - HA GLN 72 far 0 69 0 - 8.2-10.6 HA LEU 42 - HA GLN 72 far 0 47 0 - 9.4-10.9 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 3 assignments used, quality = 0.98: HA LYS 12 + HA LYS 13 OK 96 99 100 97 4.8-4.9 6186/3.6=41, 390/2.9=39...(12) HA ALA 71 + HA GLN 72 OK 59 59 100 100 4.7-4.7 ~7170=50, 9579/3.6=49...(18) HA ALA 67 - HA GLN 72 far 0 66 0 - 8.7-9.4 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 4.1-5.3 8391/3.0=70, 8389/4.0=61...(21) HA LEU 14 + HB3 LYS 13 OK 91 91 100 100 3.8-4.6 8391/3.0=70, 8389/4.0=61...(21) 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 4.1-4.8 6262=67, 6269/593=61...(13) H ASP 11 - HA LEU 14 far 0 98 0 - 6.5-7.1 H ASN 10 - HA LEU 14 far 0 92 0 - 8.0-8.9 H ALA 18 - HA GLU 88 far 0 55 0 - 9.5-10.9 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 3.6-4.3 8369/3.1=88, 8371/1.8=86...(15) H ALA 18 + HB3 LEU 14 OK 71 91 80 98 5.8-6.8 8395/3.0=64, ~12013=38...(12) H ASN 10 + HB3 LEU 14 OK 60 68 100 89 5.0-6.0 4.6/8370=50, 4.6/8405=31...(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 4.1-5.5 8371=100, 8369/3.1=91...(14) H ALA 18 + HB ILE 7 OK 66 78 85 100 5.8-6.6 ~8283=68, 8247/2.9=64...(18) H ASN 10 + HB2 LEU 14 OK 28 68 45 92 5.5-7.0 4.6/8371=59, 4.6/8432=32...(9) H ALA 18 - HB2 LEU 14 far 14 91 15 - 5.9-6.9 H ASP 11 - HB ILE 7 far 0 91 0 - 9.0-9.5 H ASN 10 - HB ILE 7 far 0 56 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 8398 from cnoeabs.peaks (8.68, 0.68, 25.64 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.80: H ASP 11 + QD1 LEU 14 OK 80 100 80 100 4.5-5.8 8369/2.1=89, 8371/3.1=56...(14) H ASN 10 - QD1 LEU 14 poor 17 68 25 - 5.0-6.3 H ALA 18 - QD1 LEU 14 far 5 91 5 - 5.2-6.7 Violated in 18 structures by 0.50 A. Peak 8399 from cnoeabs.peaks (9.19, 0.68, 25.64 ppm; 5.60 A): 1 out of 3 assignments used, quality = 0.97: H THR 84 + QD1 LEU 14 OK 97 97 100 100 4.9-5.7 9830=94, 4.0/10402=92...(10) H ILE 56 - QD1 LEU 42 far 0 96 0 - 6.9-8.6 H GLU 35 - QD1 LEU 42 far 0 93 0 - 8.0-8.7 Violated in 1 structures by 0.01 A. Peak 8400 from cnoeabs.peaks (8.68, 0.71, 24.35 ppm; 4.27 A): 3 out of 4 assignments used, quality = 0.99: H ASP 11 + QD2 LEU 14 OK 95 100 95 100 3.9-5.2 8369=100, 8398/2.1=64...(17) H ALA 18 + QD2 LEU 14 OK 71 91 80 97 4.1-5.4 2.9/12013=56...(12) H ASN 10 + QD2 LEU 14 OK 32 68 50 96 4.3-6.0 4.6/8369=46, 4.6/6107=45...(12) H ALA 18 - QD2 LEU 6 far 0 60 0 - 9.5-10.8 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 = 0.90: HG SER 9 + QD2 LEU 14 OK 90 90 100 100 2.2-4.0 8403/2.1=66, 2.8/8324=58...(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 = 0.95: H ALA 89 + QD1 LEU 14 OK 95 100 95 100 3.6-5.5 9780/10402=68...(18) HE22 GLN 72 - QD1 LEU 42 far 0 92 0 - 6.8-9.6 HE3 TRP 92 - QD1 LEU 14 far 0 100 0 - 7.6-11.9 HE ARG 19 - QD1 LEU 14 far 0 87 0 - 9.3-12.1 Violated in 6 structures by 0.14 A. Peak 8403 from cnoeabs.peaks (6.06, 0.68, 25.64 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: HG SER 9 + QD1 LEU 14 OK 100 100 100 100 2.6-4.3 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 4.4-5.5 8402/2.1=97...(16) H ARG 91 - HG LEU 14 far 0 63 0 - 7.3-9.2 HE ARG 19 - HG LEU 14 far 0 93 0 - 8.9-12.6 HE3 TRP 92 - HG LEU 14 far 0 100 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 8405 from cnoeabs.peaks (2.98, 1.90, 41.23 ppm; 4.45 A): 2 out of 6 assignments used, quality = 1.00: HB2 SER 9 + HB3 LEU 14 OK 98 98 100 100 2.8-4.7 8414/3.1=48, 8416/3.1=33...(26) HB3 ASP 11 + HB3 LEU 14 OK 96 96 100 100 2.6-4.1 1.8/8406=73, 8366/1.8=48...(21) HE2 LYS 12 - HB3 LEU 14 far 0 81 0 - 7.5-10.3 HE3 LYS 13 - HB3 LEU 14 far 0 91 0 - 7.7-9.9 HE2 LYS 13 - HB3 LEU 14 far 0 93 0 - 7.8-10.0 HE3 LYS 12 - HB3 LEU 14 far 0 97 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 8406 from cnoeabs.peaks (2.43, 1.90, 41.23 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 11 + HB3 LEU 14 OK 100 100 100 100 4.0-4.8 8362=68, 8363/1.8=66...(18) HG3 GLU 17 - HB3 LEU 14 far 5 100 5 - 5.4-8.2 Violated in 2 structures by 0.01 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 1.9-3.0 8411/2.1=77, 8412/2.1=57...(20) HA GLU 17 - HG LEU 14 far 0 61 0 - 6.9-7.4 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 3.4-5.5 12018/2.1=90...(27) HD2 PRO 86 + HG LEU 14 OK 89 99 90 100 4.7-6.6 3.6/8407=88, ~12018=74...(27) 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 3.8-5.6 8413/2.1=96, 3.0/6213=90...(23) 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: HB2 SER 9 + HG LEU 14 OK 100 100 100 100 5.1-6.1 8324/2.1=66, ~8403=54...(21) HB3 ASP 11 + HG LEU 14 OK 95 100 95 100 5.1-6.6 ~8406=57, 8366/3.0=55...(20) HE2 LYS 13 - HG LEU 14 far 0 68 0 - 8.8-11.4 HE3 LYS 13 - HG LEU 14 far 0 63 0 - 8.9-11.3 HE2 LYS 12 - HG LEU 14 far 0 98 0 - 9.9-12.7 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 1.9-3.5 8407/2.1=58, 9881=47...(24) HA LYS 66 - QD1 LEU 42 far 0 92 0 - 6.5-8.2 HA GLU 17 - QD1 LEU 14 far 0 61 0 - 6.9-8.2 HA ARG 46 - QD1 LEU 42 far 0 89 0 - 7.2-8.3 HB2 SER 49 - QD1 LEU 42 far 0 65 0 - 8.2-12.7 Violated in 1 structures by 0.00 A. Peak 8412 from cnoeabs.peaks (4.10, 0.71, 24.35 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: HA PRO 86 + QD2 LEU 14 OK 100 100 100 100 2.9-4.3 8411/2.1=91, 8407/2.1=84...(24) 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 2.8-3.5 12020=100, 3.0/6215=69...(28) HA ILE 15 - QD2 LEU 6 far 0 72 0 - 7.8-9.2 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 16 assignments used, quality = 1.00: HB2 SER 9 + QD2 LEU 14 OK 100 100 100 100 2.4-3.4 8324=63, 1.8/10408=45...(31) HB3 ASP 11 + QD2 LEU 14 OK 54 99 55 99 3.7-5.5 4.0/8369=40, 1.8/8415=32...(23) HB2 PHE 45 - QD2 LEU 6 far 0 72 0 - 6.5-8.3 HB3 PHE 45 - QD2 LEU 6 far 0 62 0 - 6.6-8.5 HE2 LYS 12 - QD2 LEU 14 far 0 91 0 - 7.5-10.1 HE2 LYS 33 - QD2 LEU 6 far 0 43 0 - 7.9-11.0 HE3 LYS 33 - QD2 LEU 14 far 0 70 0 - 8.1-11.9 HE2 LYS 33 - QD2 LEU 14 far 0 70 0 - 8.2-12.5 HE3 LYS 33 - QD2 LEU 6 far 0 43 0 - 8.2-10.2 HE3 LYS 13 - QD2 LEU 14 far 0 81 0 - 8.4-10.3 HE2 LYS 13 - QD2 LEU 14 far 0 84 0 - 8.5-10.3 HE3 LYS 12 - QD2 LEU 14 far 0 91 0 - 8.6-10.8 HB2 SER 9 - QD2 LEU 6 far 0 72 0 - 9.0-10.4 HE2 LYS 12 - QD2 LEU 6 far 0 60 0 - 9.7-14.3 HE2 LYS 47 - QD2 LEU 6 far 0 68 0 - 9.8-14.4 HE3 LYS 12 - QD2 LEU 6 far 0 60 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 8415 from cnoeabs.peaks (2.43, 0.71, 24.35 ppm; 4.62 A): 2 out of 5 assignments used, quality = 0.94: HB2 ASP 11 + QD2 LEU 14 OK 90 100 90 100 4.4-6.3 6143/8369=72...(21) HB3 TYR 4 + QD2 LEU 6 OK 45 55 85 96 2.9-6.1 2.5/8209=41, ~8213=39...(19) HG3 GLU 17 - QD2 LEU 14 far 15 100 15 - 4.8-7.3 HB3 MET 21 - QD2 LEU 14 far 0 70 0 - 7.3-9.8 HG3 MET 21 - QD2 LEU 14 far 0 71 0 - 8.0-10.7 Violated in 6 structures by 0.08 A. Peak 8416 from cnoeabs.peaks (2.98, 0.68, 25.64 ppm; 4.18 A): 2 out of 13 assignments used, quality = 1.00: HB2 SER 9 + QD1 LEU 14 OK 99 100 100 100 3.6-4.9 8324/2.1=54, 2.8/8403=53...(21) HB3 ASP 11 + QD1 LEU 14 OK 99 99 100 100 3.4-5.0 4.0/8398=43, 1.8/8417=40...(23) HB2 PHE 45 - QD1 LEU 42 far 0 97 0 - 5.6-6.5 HE2 LYS 73 - QD1 LEU 42 far 0 65 0 - 5.8-10.0 HE3 LYS 73 - QD1 LEU 42 far 0 56 0 - 6.7-10.1 HB3 PHE 45 - QD1 LEU 42 far 0 89 0 - 6.8-7.8 HE3 LYS 13 - QD1 LEU 14 far 0 84 0 - 6.9-9.9 HE2 LYS 13 - QD1 LEU 14 far 0 87 0 - 7.6-9.8 HE2 LYS 12 - QD1 LEU 14 far 0 88 0 - 9.1-11.1 HE2 LYS 33 - QD1 LEU 14 far 0 65 0 - 9.7-14.2 HE3 LYS 47 - QD1 LEU 42 far 0 94 0 - 9.8-13.7 HE3 LYS 12 - QD1 LEU 14 far 0 93 0 - 9.9-11.7 HE3 LYS 33 - QD1 LEU 14 far 0 65 0 - 9.9-13.8 Violated in 3 structures by 0.01 A. Peak 8417 from cnoeabs.peaks (2.43, 0.68, 25.64 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: HB2 ASP 11 + QD1 LEU 14 OK 100 100 100 100 4.1-5.3 8406/3.1=64...(20) HG3 GLU 17 + QD1 LEU 14 OK 57 100 60 95 4.5-7.7 8478/4.0=49, 10431=30...(13) HG2 GLN 72 - QD1 LEU 42 far 0 96 0 - 6.4-8.0 HB3 TYR 4 - QD1 LEU 42 far 0 71 0 - 8.2-9.2 HB3 MET 21 - QD1 LEU 14 far 0 79 0 - 8.2-11.1 HG3 MET 21 - QD1 LEU 14 far 0 81 0 - 8.3-10.6 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 4.6-5.4 8422/3.0=97, 8412/3.1=93...(20) Violated in 0 structures by 0.00 A. Peak 8421 from cnoeabs.peaks (4.61, 1.90, 41.23 ppm; 6.19 A): 1 out of 3 assignments used, quality = 0.99: HA ASP 11 + HB3 LEU 14 OK 99 99 100 100 4.9-5.6 3.0/8406=94, 3.0/8370=73...(27) HA ILE 8 - HB3 LEU 14 far 0 100 0 - 7.4-8.9 HA THR 84 - HB3 LEU 14 far 0 82 0 - 7.8-9.9 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 2 assignments used, quality = 0.98: HA PRO 86 + HA LEU 14 OK 98 99 100 100 2.7-3.9 9885=91, 8411/4.0=56...(21) HA PRO 86 - HA GLU 88 far 0 52 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 8424 from cnoeabs.peaks (5.13, 0.68, 25.64 ppm; 4.26 A): 1 out of 6 assignments used, quality = 1.00: HA SER 85 + QD1 LEU 14 OK 100 100 100 100 2.6-3.6 9867=79, 3.0/10413=63...(17) HA ILE 7 - QD1 LEU 14 far 0 100 0 - 6.7-7.7 HA VAL 54 - QD1 LEU 42 far 0 76 0 - 7.6-8.9 HA VAL 5 - QD1 LEU 42 far 0 77 0 - 8.0-9.8 HA ILE 7 - QD1 LEU 42 far 0 97 0 - 8.6-10.4 HA TYR 4 - QD1 LEU 42 far 0 94 0 - 10.0-11.2 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 = 0.92: HA THR 84 + QD1 LEU 14 OK 92 98 95 98 4.2-5.5 3.6/10413=60...(7) HA ASP 11 - QD1 LEU 14 far 0 100 0 - 5.9-7.0 HA ILE 8 - QD1 LEU 14 far 0 92 0 - 7.1-8.4 HA ASP 77 - QD1 LEU 42 far 0 83 0 - 7.4-8.6 HA ILE 8 - QD1 LEU 42 far 0 86 0 - 9.0-10.8 HB THR 34 - QD1 LEU 42 far 0 96 0 - 9.7-10.2 Violated in 11 structures by 0.18 A. Peak 8426 from cnoeabs.peaks (4.59, 0.71, 24.35 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.98: HA THR 84 + QD2 LEU 14 OK 83 98 85 100 5.3-7.0 8425/2.1=94...(6) HA ILE 8 + QD2 LEU 14 OK 78 92 90 94 5.4-6.5 6102/6107=86...(8) HA ASP 11 + QD2 LEU 14 OK 55 100 55 100 5.8-6.8 3.0/8369=92, ~8398=57...(31) HA ILE 8 - QD2 LEU 6 poor 18 61 60 50 5.8-7.6 11115/6076=23...(4) HB THR 34 - QD2 LEU 6 far 0 72 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 8427 from cnoeabs.peaks (5.13, 0.71, 24.35 ppm; 4.96 A): 4 out of 8 assignments used, quality = 1.00: HA ILE 7 + QD2 LEU 14 OK 99 100 100 99 4.6-5.3 237/12015=74...(13) HA SER 85 + QD2 LEU 14 OK 94 99 95 100 4.9-6.0 8424/2.1=89...(16) HA ILE 7 + QD2 LEU 6 OK 68 72 95 99 5.0-5.9 3.0/6076=66, 8220/3.1=51...(12) HA VAL 5 + QD2 LEU 6 OK 59 60 100 98 3.5-5.6 6059/4.6=67, 8224/2.1=30...(20) HA TYR 4 - QD2 LEU 6 poor 16 65 25 - 4.5-7.1 HA VAL 54 - QD2 LEU 6 poor 11 46 25 - 4.5-7.3 HA LEU 3 - QD2 LEU 6 far 0 72 0 - 7.5-9.9 HA VAL 5 - QD2 LEU 14 far 0 91 0 - 9.4-9.9 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 4 assignments used, quality = 0.94: HG3 GLU 17 + HA LEU 14 OK 87 87 100 100 2.4-5.4 1.8/8477=87, 8478=82...(17) HB2 ASP 11 + HA LEU 14 OK 36 91 40 100 6.1-6.7 8406/3.0=67, 8377/3.0=61...(18) HD2 ARG 91 + HA GLU 88 OK 33 33 100 99 2.5-5.6 3.5/4024=68, 1.8/9960=50...(20) HG3 GLU 17 - HA GLU 88 far 0 42 0 - 8.9-12.1 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 95 100 95 100 4.9-6.3 10398/3.0=59, ~10273=50...(19) QG2 ILE 15 + HB3 LEU 14 OK 93 98 95 100 5.5-6.5 6218/609=86, 3.2/8465=58...(16) QD1 ILE 15 + HB3 LEU 14 OK 61 61 100 100 2.7-4.8 2.1/8465=67, 5.0/609=65...(17) QD1 LEU 57 - HB3 LEU 14 far 0 77 0 - 6.8-9.4 QD1 ILE 93 - HB3 LEU 14 far 0 81 0 - 7.3-8.7 QG2 ILE 8 - HB3 LEU 14 far 0 99 0 - 7.5-8.6 QD2 LEU 57 - HB3 LEU 14 far 0 100 0 - 7.8-9.6 QG2 VAL 32 - HB3 LEU 14 far 0 70 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 8430 from cnoeabs.peaks (1.73, 1.90, 41.23 ppm; 4.79 A): 2 out of 10 assignments used, quality = 0.98: HB ILE 15 + HB3 LEU 14 OK 95 100 95 100 4.6-5.8 6217/609=81, 6194/602=61...(18) HG12 ILE 15 + HB3 LEU 14 OK 65 71 95 96 5.1-6.7 4.6/609=57, 1.8/8465=57...(11) HG2 PRO 86 - HB3 LEU 14 far 3 70 5 - 5.1-7.5 HD2 LYS 13 - HB3 LEU 14 far 0 84 0 - 6.2-8.6 HD2 LYS 12 - HB3 LEU 14 far 0 84 0 - 6.6-10.3 HD3 LYS 13 - HB3 LEU 14 far 0 87 0 - 6.7-8.7 HD3 LYS 12 - HB3 LEU 14 far 0 84 0 - 7.3-9.8 HD3 LYS 90 - HB3 LEU 14 far 0 77 0 - 7.7-12.0 HD2 LYS 90 - HB3 LEU 14 far 0 98 0 - 7.7-12.2 HG3 ARG 19 - HB3 LEU 14 far 0 70 0 - 8.0-9.9 Violated in 1 structures by 0.04 A. Peak 8431 from cnoeabs.peaks (2.43, 1.52, 41.23 ppm; 4.68 A): 2 out of 6 assignments used, quality = 1.00: HB2 ASP 11 + HB2 LEU 14 OK 100 100 100 100 3.8-5.3 8363=83, 8406/1.8=80...(20) HG3 GLU 17 + HB2 LEU 14 OK 63 100 65 98 4.7-7.7 8478/3.0=57, ~8477=42...(18) HB3 MET 21 - HB ILE 7 far 0 63 0 - 8.1-10.3 HG3 MET 21 - HB ILE 7 far 0 64 0 - 8.4-11.7 HB3 TYR 4 - HB ILE 7 far 0 68 0 - 9.4-10.7 HG3 GLU 17 - HB ILE 7 far 0 91 0 - 9.5-11.4 Violated in 1 structures by 0.02 A. Peak 8432 from cnoeabs.peaks (3.00, 1.52, 41.23 ppm; 4.38 A): 2 out of 12 assignments used, quality = 1.00: HB3 ASP 11 + HB2 LEU 14 OK 100 100 100 100 2.6-4.1 1.8/8363=60, 8366=56...(21) HB2 SER 9 + HB2 LEU 14 OK 89 100 90 99 3.4-5.6 8324/3.1=48, 8405/1.8=33...(21) HB2 SER 9 - HB ILE 7 far 0 90 0 - 6.0-6.9 HE3 LYS 13 - HB2 LEU 14 far 0 59 0 - 6.5-9.4 HE2 LYS 13 - HB2 LEU 14 far 0 63 0 - 7.3-9.7 HE2 LYS 12 - HB2 LEU 14 far 0 99 0 - 8.8-10.9 HE2 LYS 12 - HB ILE 7 far 0 88 0 - 8.9-13.9 HE2 LYS 33 - HB ILE 7 far 0 75 0 - 9.4-13.1 HE3 LYS 33 - HB ILE 7 far 0 75 0 - 9.5-13.4 HB3 ASP 11 - HB ILE 7 far 0 91 0 - 9.5-10.9 HE3 LYS 12 - HB ILE 7 far 0 61 0 - 9.6-14.3 HE3 LYS 12 - HB2 LEU 14 far 0 73 0 - 9.8-11.7 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 6 assignments used, quality = 0.99: H ALA 89 + QD2 LEU 14 OK 99 99 100 100 4.4-5.7 8402/2.1=99, 8404/2.1=87...(19) HE ARG 19 - QD2 LEU 6 far 6 64 10 - 6.7-11.5 H ARG 91 - QD2 LEU 14 far 3 68 5 - 7.0-9.0 HE ARG 19 - QD2 LEU 14 far 0 95 0 - 7.4-10.2 HE3 TRP 92 - QD2 LEU 14 far 0 100 0 - 7.8-11.0 H LYS 47 - QD2 LEU 6 far 0 39 0 - 9.9-11.4 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 3.7-4.6 6277=100, 6283/643=89...(17) H LEU 57 - HA ILE 15 far 0 71 0 - 7.8-8.7 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 99 100 100 5.8-6.2 10390/2.9=93...(10) H ASP 11 + HG13 ILE 15 OK 97 100 100 98 4.6-6.4 10389/2.1=63...(12) H ASN 10 + HG13 ILE 15 OK 72 85 85 99 5.6-7.3 ~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 2.8-3.5 8314/8467=58...(14) H LYS 20 - QD1 ILE 15 far 0 100 0 - 8.1-9.3 HE ARG 30 - QD1 ILE 15 far 0 100 0 - 8.8-12.0 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 3.4-4.4 6194/3.2=92...(16) H GLU 88 - QD1 ILE 15 far 0 98 0 - 9.4-11.7 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 3.3-4.2 8380=100, 2.9/8446=96...(28) H VAL 58 - QD1 ILE 15 far 0 95 0 - 8.1-9.6 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 3.0-3.7 3.6/8356=73, 10389=62...(18) H ASN 10 + QD1 ILE 15 OK 85 85 100 100 3.9-4.5 3.0/8356=81, 4.6/8436=47...(14) H ALA 18 - QD1 ILE 15 far 15 99 15 - 5.5-6.5 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 4.4-4.8 6209/6217=99...(12) 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 5.1-5.3 6209/3.0=99, 6194/3.0=96...(14) H GLU 88 - HA ILE 15 far 0 98 0 - 9.8-11.0 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 3.8-5.1 2.8/10417=84...(13) 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 - 9.9-11.4 Violated in 20 structures by 4.58 A. Peak 8444 from cnoeabs.peaks (2.99, 0.75, 29.43 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: HB2 SER 9 + HG13 ILE 15 OK 100 100 100 100 3.0-4.4 8320/1.8=52, ~10417=51...(22) HB3 ASP 11 + HG13 ILE 15 OK 38 100 45 85 5.1-7.2 8461/669=33, 8445/2.1=32...(12) HE2 LYS 12 - HG13 ILE 15 far 5 94 5 - 5.2-9.5 HE3 LYS 33 - HG13 ILE 15 far 0 75 0 - 6.2-11.4 HE2 LYS 33 - HG13 ILE 15 far 0 75 0 - 6.4-11.8 HE3 LYS 12 - HG13 ILE 15 far 0 87 0 - 6.5-9.9 HE2 LYS 13 - HG13 ILE 15 far 0 79 0 - 9.9-13.4 HE3 LYS 13 - HG13 ILE 15 far 0 75 0 - 10.0-12.5 Violated in 0 structures by 0.00 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 1.9-4.3 1.8/10417=44...(25) HB3 ASP 11 + QD1 ILE 15 OK 81 100 90 90 3.9-4.9 4.5/8380=36...(14) HE2 LYS 12 + QD1 ILE 15 OK 43 98 45 98 2.4-6.7 1.8/10393=51...(14) HE3 LYS 12 - QD1 ILE 15 far 12 79 15 - 3.8-7.1 HE2 LYS 33 - QD1 ILE 15 far 8 84 10 - 3.6-8.4 HE3 LYS 33 - QD1 ILE 15 poor 5 84 25 23 3.6-7.9 8735/8467=8, 10392=6...(4) HE3 LYS 13 - QD1 ILE 15 far 0 65 0 - 7.4-9.4 HE2 LYS 13 - QD1 ILE 15 far 0 70 0 - 7.9-9.8 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 1.9-3.1 8381=54, 644/3.2=49...(23) HA ALA 89 - QD1 ILE 15 far 0 61 0 - 8.0-9.9 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 2 assignments used, quality = 1.00: HB THR 31 + QD1 ILE 15 OK 100 100 100 100 3.9-4.6 2.1/8467=99, ~10123=62...(14) HA ASP 87 - QD1 ILE 15 far 0 91 0 - 9.5-11.9 Violated in 0 structures by 0.00 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 4.1-4.5 369/8380=90...(17) HA ILE 8 + QD1 ILE 15 OK 82 92 100 89 4.2-5.1 3.6/8436=78...(7) HA THR 84 - QD1 ILE 15 far 0 98 0 - 9.0-11.3 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 3.4-3.9 8356=100, 3.0/8357=41...(7) HA ARG 30 - QD1 ILE 15 far 0 88 0 - 7.6-8.2 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 3.9-5.1 8446/2.1=98, 644/2.9=85...(16) HA ALA 89 - HG13 ILE 15 far 0 71 0 - 8.7-10.1 Violated in 1 structures by 0.01 A. Peak 8451 from cnoeabs.peaks (3.02, 3.26, 65.94 ppm; 5.91 A): 2 out of 5 assignments used, quality = 0.94: HB2 SER 9 + HA ILE 15 OK 87 87 100 100 4.7-6.1 8325/8261=65...(15) HB3 ASP 11 + HA ILE 15 OK 56 91 65 96 6.4-7.7 12269/8441=43...(10) HE2 LYS 12 - HA ILE 15 far 10 99 10 - 6.2-10.0 HE3 LYS 33 - HA ILE 15 far 0 100 0 - 8.1-13.4 HE2 LYS 33 - HA ILE 15 far 0 100 0 - 8.4-13.6 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 5.9-6.8 3.0/6277=95, 8511/643=90...(16) HA ALA 18 + HA ILE 15 OK 65 65 100 100 5.4-6.0 2.1/772=100, 2.9/6263=97...(13) 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 16 + HA ILE 15 OK 99 99 100 100 4.7-4.9 8530/3.2=96, 8454/3.0=74...(25) HA GLU 17 + HA ILE 15 OK 94 100 95 99 6.7-7.1 3.6/6263=92, 5.0/643=85...(4) HA PRO 86 + HA ILE 15 OK 53 70 95 80 6.1-7.4 8407/8409=31...(8) HB3 SER 59 - HA ILE 15 far 0 93 0 - 8.4-10.2 HA LYS 20 - HA ILE 15 far 0 100 0 - 8.8-10.1 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 5 assignments used, quality = 0.99: HA GLU 16 + HB ILE 15 OK 99 99 100 100 4.3-4.7 3.0/6231=100...(20) HA GLU 17 - HB ILE 15 far 0 100 0 - 7.5-7.9 HA PRO 86 - HB ILE 15 far 0 70 0 - 8.1-9.1 HA LYS 20 - HB ILE 15 far 0 100 0 - 9.6-11.2 HB3 SER 59 - HB ILE 15 far 0 93 0 - 9.7-11.2 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 3.5-4.3 10123/3.2=91...(14) HB2 LEU 29 - HA ILE 15 far 0 97 0 - 7.5-8.7 HB2 LEU 6 - HA ILE 15 far 0 70 0 - 8.9-10.8 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 3.8-5.6 2.1/12020=98...(23) QB ALA 89 + HA ILE 15 OK 82 100 100 82 4.5-5.5 9940/6263=54...(5) HG12 ILE 8 - HA ILE 15 far 0 94 0 - 8.2-9.2 HB3 ARG 30 - HA ILE 15 far 0 84 0 - 9.7-10.6 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 4 assignments used, quality = 1.00: HB2 LEU 14 + HA ILE 15 OK 96 96 100 100 3.9-5.6 3.1/12020=97...(22) HB ILE 7 + HA ILE 15 OK 96 96 100 100 3.9-4.6 3.2/8261=92...(17) HG LEU 57 - HA ILE 15 far 0 63 0 - 6.7-8.3 HG3 LYS 33 - HA ILE 15 far 0 70 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 8458 from cnoeabs.peaks (1.91, 3.26, 65.94 ppm; 5.13 A): 2 out of 10 assignments used, quality = 1.00: HB3 LEU 14 + HA ILE 15 OK 99 99 100 100 4.1-5.5 3.1/12020=91, 609/3.0=86...(24) HB3 ARG 19 + HA ILE 15 OK 79 93 85 100 4.5-7.3 3.9/6277=66, 8516/3.2=58...(14) HB2 ARG 19 - HA ILE 15 far 14 94 15 - 4.6-7.5 HB2 GLU 17 - HA ILE 15 far 0 75 0 - 6.4-7.2 HB2 LYS 13 - HA ILE 15 far 0 100 0 - 7.4-8.1 HB3 LYS 13 - HA ILE 15 far 0 100 0 - 7.5-8.2 HB3 LYS 20 - HA ILE 15 far 0 87 0 - 7.7-9.8 HB2 LYS 20 - HA ILE 15 far 0 91 0 - 8.1-10.8 HB ILE 8 - HA ILE 15 far 0 96 0 - 8.6-9.4 HB VAL 32 - HA ILE 15 far 0 77 0 - 8.8-9.9 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 = 0.99: QD1 ILE 7 + HA ILE 15 OK 96 97 100 99 1.9-2.9 8261=79, 8469/678=45...(22) QD2 LEU 29 + HA ILE 15 OK 39 99 45 88 4.0-5.2 8693/6277=31...(14) QD1 LEU 29 + HA ILE 15 OK 31 93 40 83 4.1-5.1 8672/643=48, 8689=23...(13) QG2 ILE 56 - HA ILE 15 far 0 68 0 - 8.3-10.1 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 3.6-3.9 10123/2.1=90...(13) 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 2.2-4.0 8467/2.1=91...(16) HB2 LEU 29 - HG13 ILE 15 far 0 77 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 8464 from cnoeabs.peaks (1.51, 0.75, 29.43 ppm; 5.55 A): 2 out of 8 assignments used, quality = 1.00: HB ILE 7 + HG13 ILE 15 OK 99 99 100 100 4.3-5.2 2.9/10118=87...(21) HB2 LEU 14 + HG13 ILE 15 OK 79 99 80 100 3.3-6.8 1.8/8465=87, 6211/669=84...(17) HG3 LYS 33 - HG13 ILE 15 far 0 99 0 - 6.9-9.1 HG LEU 57 - HG13 ILE 15 far 0 99 0 - 7.6-9.1 HG3 LYS 13 - HG13 ILE 15 far 0 96 0 - 7.8-10.1 HG2 LYS 33 - HG13 ILE 15 far 0 65 0 - 8.3-10.8 HG3 ARG 30 - HG13 ILE 15 far 0 94 0 - 9.7-12.6 HG LEU 6 - HG13 ILE 15 far 0 98 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 8465 from cnoeabs.peaks (1.88, 0.75, 29.43 ppm; 5.29 A): 1 out of 10 assignments used, quality = 0.88: HB3 LEU 14 + HG13 ILE 15 OK 88 88 100 99 3.3-5.1 4.4/669=73, ~10406=42...(18) HB2 ARG 19 - HG13 ILE 15 far 0 98 0 - 6.3-9.4 HB2 LYS 12 - HG13 ILE 15 far 0 96 0 - 6.4-7.4 HB3 LYS 12 - HG13 ILE 15 far 0 98 0 - 6.8-8.0 HB2 LYS 13 - HG13 ILE 15 far 0 63 0 - 7.0-8.8 HB3 LYS 13 - HG13 ILE 15 far 0 68 0 - 7.3-9.5 HB ILE 8 - HG13 ILE 15 far 0 96 0 - 7.3-8.0 HB3 LYS 33 - HG13 ILE 15 far 0 65 0 - 8.7-11.6 HB2 LYS 33 - HG13 ILE 15 far 0 61 0 - 8.8-11.4 HB VAL 5 - HG13 ILE 15 far 0 94 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 8466 from cnoeabs.peaks (1.87, 0.76, 13.00 ppm; 4.20 A): 3 out of 8 assignments used, quality = 0.99: HB2 LYS 12 + QD1 ILE 15 OK 89 99 90 100 4.0-5.3 3.0/8446=73, 3.0/8468=60...(23) HB3 LYS 12 + QD1 ILE 15 OK 79 99 80 100 4.3-5.4 3.0/8446=73, 3.0/8468=60...(24) HB3 LEU 14 + QD1 ILE 15 OK 78 81 100 97 2.7-4.8 8465/2.1=48, 3.8/8437=33...(19) HB ILE 8 - QD1 ILE 15 far 0 91 0 - 6.0-7.1 HB3 LYS 13 - QD1 ILE 15 far 0 57 0 - 6.0-7.2 HB2 ARG 19 - QD1 ILE 15 far 0 94 0 - 6.3-8.6 HB VAL 5 - QD1 ILE 15 far 0 98 0 - 9.4-10.4 HB2 LYS 20 - QD1 ILE 15 far 0 96 0 - 9.7-12.1 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 = 0.98: QG2 THR 31 + QD1 ILE 15 OK 98 100 100 98 2.5-3.3 10123/3.0=57...(15) QG2 THR 34 - QD1 ILE 15 far 0 70 0 - 7.7-9.0 HB2 LEU 6 - QD1 ILE 15 far 0 59 0 - 8.1-9.9 HB2 LEU 29 - QD1 ILE 15 far 0 93 0 - 9.1-10.1 HG3 LYS 82 - QD1 ILE 15 far 0 100 0 - 9.4-11.7 Violated in 4 structures by 0.01 A. Peak 8468 from cnoeabs.peaks (1.45, 0.76, 13.00 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: HG2 LYS 12 + QD1 ILE 15 OK 100 100 100 100 2.8-4.9 384/8446=69...(14) HG12 ILE 7 - QD1 ILE 15 poor 18 90 20 - 4.2-6.0 HG2 LYS 13 - QD1 ILE 15 far 0 96 0 - 6.3-7.9 HG LEU 29 - QD1 ILE 15 far 0 99 0 - 7.3-8.3 QB ALA 22 - QD1 ILE 15 far 0 99 0 - 8.4-9.4 HG2 LYS 20 - QD1 ILE 15 far 0 99 0 - 8.8-10.9 HB2 LEU 38 - QD1 ILE 15 far 0 99 0 - 9.7-12.5 HG LEU 38 - QD1 ILE 15 far 0 98 0 - 9.9-12.2 Violated in 2 structures by 0.04 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 99 2.5-4.7 8261/678=46...(26) QD2 LEU 29 - QD1 ILE 15 far 0 98 0 - 5.3-6.1 QD1 LEU 29 - QD1 ILE 15 far 0 87 0 - 5.9-6.9 QG2 ILE 56 - QD1 ILE 15 far 0 77 0 - 7.2-8.9 Violated in 13 structures by 0.11 A. Peak 8470 from cnoeabs.peaks (0.61, 0.75, 29.43 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.98: QD1 ILE 7 + HG13 ILE 15 OK 98 99 100 100 2.0-4.0 2.1/10118=77...(26) QD2 LEU 29 - HG13 ILE 15 poor 19 71 35 75 4.6-6.4 8731/8463=30...(7) QG2 ILE 56 - HG13 ILE 15 far 0 99 0 - 7.9-9.7 Violated in 0 structures by 0.00 A. Peak 8471 from cnoeabs.peaks (0.63, 1.69, 29.43 ppm; 4.92 A): 3 out of 23 assignments used, quality = 1.00: QD1 ILE 7 + HG12 ILE 15 OK 99 99 100 100 2.8-5.4 8469/2.1=95...(22) QD2 LEU 29 + HG12 ILE 15 OK 79 98 100 81 4.5-5.7 10501/3.2=42...(7) QD1 LEU 29 + HG12 ILE 15 OK 24 87 40 69 5.3-6.9 8689/4.1=37, ~10501=28...(5) QD1 ILE 7 - HD3 LYS 90 far 5 99 5 - 5.6-9.1 QD2 LEU 29 - HD2 LYS 20 far 3 69 5 - 5.6-8.9 QD1 LEU 29 - HD3 LYS 90 far 0 86 0 - 5.9-9.3 QD2 LEU 29 - HD3 LYS 20 far 0 64 0 - 5.9-9.1 QD1 LEU 29 - HD2 LYS 20 far 0 58 0 - 6.2-9.0 QD1 LEU 29 - HD3 LYS 20 far 0 53 0 - 6.6-9.3 QD2 LEU 29 - HD3 LYS 12 far 0 63 0 - 6.8-10.9 QD1 ILE 7 - HD3 LYS 12 far 0 65 0 - 7.2-10.2 QD2 LEU 29 - HD3 LYS 90 far 0 97 0 - 7.3-11.3 QD1 ILE 7 - HD2 LYS 12 far 0 65 0 - 7.3-10.0 QD1 ILE 7 - HD3 LYS 20 far 0 66 0 - 7.3-10.3 QG2 VAL 54 - HD2 LYS 47 far 0 70 0 - 7.4-10.9 QG2 VAL 54 - HD3 LYS 47 far 0 71 0 - 7.5-11.3 QD2 LEU 29 - HD2 LYS 12 far 0 63 0 - 7.5-10.6 QG2 ILE 56 - HG12 ILE 15 far 0 77 0 - 7.8-9.7 QD1 ILE 7 - HD2 LYS 20 far 0 72 0 - 7.8-10.0 QD1 LEU 29 - HD3 LYS 12 far 0 52 0 - 8.6-12.0 QD1 ILE 7 - HB3 ARG 91 far 0 88 0 - 8.6-10.4 QD1 LEU 29 - HD2 LYS 12 far 0 52 0 - 9.1-11.9 QD1 LEU 29 - HB3 ARG 91 far 0 74 0 - 9.2-10.7 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 7 assignments used, quality = 0.99: HA LEU 14 + HG2 GLU 17 OK 99 100 100 100 3.4-4.6 8478/1.8=79, 593/748=67...(12) HA3 GLY 100 - HG2 GLU 99 far 4 39 10 - 4.0-7.2 HA LYS 90 - HG2 GLU 17 far 0 99 0 - 6.2-9.6 HA3 GLY 100 - HG2 GLU 98 far 0 30 0 - 7.6-8.9 HA LYS 90 - HG2 GLU 23 far 0 53 0 - 8.8-11.0 HA GLU 88 - HG2 GLU 17 far 0 94 0 - 8.9-12.2 HA LYS 90 - HG2 GLU 98 far 0 58 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 8478 from cnoeabs.peaks (3.68, 2.43, 36.00 ppm; 5.13 A): 1 out of 5 assignments used, quality = 1.00: HA LEU 14 + HG3 GLU 17 OK 100 100 100 100 2.4-5.4 8477/1.8=82, 593/3.0=67...(17) HA3 GLY 100 - HG3 GLU 99 far 7 67 10 - 4.2-7.1 HA LYS 90 - HG3 GLU 17 far 0 98 0 - 6.5-9.1 HA GLU 88 - HG3 GLU 17 far 0 88 0 - 8.9-12.1 HA LEU 42 - HG3 GLU 48 far 0 70 0 - 9.2-11.4 Violated in 1 structures by 0.01 A. Peak 8479 from cnoeabs.peaks (4.13, 2.30, 36.00 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.90: HA LYS 13 + HG3 GLU 16 OK 82 88 100 93 2.2-4.0 493/3.0=61, 6226/6240=57...(6) HA GLU 23 + HG2 GLU 23 OK 45 45 100 100 2.3-3.5 4.2=100 HB2 SER 59 - HG2 GLU 63 far 8 82 10 - 4.7-7.9 HA GLU 62 - HG2 GLU 63 far 0 99 0 - 5.2-7.2 HA LYS 24 - HG2 GLU 23 far 0 32 0 - 6.2-6.7 HA LYS 47 - HG3 GLU 43 far 0 45 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 8480 from cnoeabs.peaks (0.76, 3.77, 54.96 ppm; 3.32 A): 1 out of 10 assignments used, quality = 0.99: QD1 ILE 93 + HA ALA 18 OK 99 100 100 99 1.9-3.4 10020/2.1=68, 10026=62...(22) QG2 ILE 93 - HA ALA 18 far 10 98 10 - 4.1-5.4 HG13 ILE 93 - HA ALA 18 far 5 93 5 - 3.2-5.8 QG1 VAL 5 - HA ALA 18 far 0 65 0 - 4.9-6.2 QD2 LEU 57 - HA ALA 18 far 0 71 0 - 5.5-7.8 QG2 ILE 7 - HA ALA 18 far 0 65 0 - 6.0-6.5 QD1 LEU 27 - HA ALA 18 far 0 100 0 - 7.1-8.4 QD1 ILE 15 - HA ALA 18 far 0 100 0 - 7.5-8.5 HG13 ILE 15 - HA ALA 18 far 0 99 0 - 7.6-8.1 QD2 LEU 27 - HA ALA 18 far 0 71 0 - 9.5-10.6 Violated in 1 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 100 100 100 100 3.4-4.0 8672/2.1=92, 8691/3.6=34...(15) QD1 ILE 7 + HA ALA 18 OK 74 77 100 96 4.1-5.0 ~8283=41, 8278/2.1=37...(17) QD2 LEU 29 + HA ALA 18 OK 39 99 40 99 4.9-5.6 ~8672=59, 8693/3.6=56...(14) QD1 LEU 14 - HA ALA 18 far 0 82 0 - 6.0-8.0 QD2 LEU 6 - HA ALA 18 far 0 65 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 8482 from cnoeabs.peaks (0.77, 1.23, 17.96 ppm; 2.91 A): 2 out of 14 assignments used, quality = 0.99: QD1 ILE 93 + QB ALA 18 OK 96 100 100 96 1.8-2.4 10020=75, 8480/2.1=50...(17) QG2 ILE 7 + QB ALA 18 OK 60 75 100 79 3.2-3.7 8283=30, 3.0/8278=24...(18) HG13 ILE 93 - QB ALA 18 poor 17 87 20 - 3.4-4.7 QD2 LEU 57 - QB ALA 18 lone 2 81 25 12 3.6-5.6 2.1/2627=3, 244/8276=2...(5) QG2 ILE 93 - QB ALA 18 far 0 95 0 - 3.9-5.1 HG13 ILE 15 - QB ALA 18 far 0 98 0 - 4.4-5.0 QD1 ILE 15 - QB ALA 18 far 0 99 0 - 4.7-5.8 QD1 LEU 27 - QB ALA 18 far 0 100 0 - 6.5-7.5 QG1 VAL 54 - QB ALA 18 far 0 100 0 - 7.5-8.4 QD1 LEU 6 - QB ALA 18 far 0 100 0 - 7.7-8.6 QG2 ILE 8 - QB ALA 18 far 0 93 0 - 7.9-8.5 QD2 LEU 27 - QB ALA 18 far 0 61 0 - 8.3-9.3 HG3 ARG 81 - QB ALA 18 far 0 81 0 - 8.7-10.9 QG1 VAL 78 - QB ALA 18 far 0 90 0 - 9.4-12.0 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 93 100 100 93 2.9-3.5 2.1/8672=49...(24) QD1 ILE 7 + QB ALA 18 OK 86 96 100 89 1.9-2.5 8278=39, 3.0/8283=31...(18) QD1 LEU 29 + QB ALA 18 OK 86 94 100 92 1.8-2.3 8672=61, 8505/6283=15...(21) QG2 ILE 56 - QB ALA 18 far 0 65 0 - 6.6-8.0 QG2 VAL 54 - QB ALA 18 far 0 93 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 8484 from cnoeabs.peaks (1.45, 1.23, 17.96 ppm; 4.03 A): 3 out of 8 assignments used, quality = 1.00: HG LEU 29 + QB ALA 18 OK 97 99 100 99 3.8-4.6 2.1/8672=84, 2.1/8483=33...(16) QB ALA 22 + QB ALA 18 OK 96 99 100 97 4.0-4.9 10327/10020=51...(15) HG12 ILE 7 + QB ALA 18 OK 88 90 100 98 3.7-4.8 3.2/8283=60, 2.1/8278=50...(14) HG2 LYS 20 - QB ALA 18 far 0 99 0 - 5.2-7.9 HB2 LEU 27 - QB ALA 18 far 0 99 0 - 7.2-8.3 HG3 ARG 91 - QB ALA 18 far 0 100 0 - 7.5-10.5 HG2 LYS 12 - QB ALA 18 far 0 100 0 - 8.5-9.4 HG2 LYS 13 - QB ALA 18 far 0 96 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 8485 from cnoeabs.peaks (1.94, 1.23, 17.96 ppm; 4.34 A): 2 out of 11 assignments used, quality = 1.00: HB2 GLU 17 + QB ALA 18 OK 99 100 100 99 4.3-5.0 742/2.9=61, ~6269=50...(14) HB3 ARG 19 + QB ALA 18 OK 98 98 100 100 3.8-5.1 799/6283=69, 10440=59...(13) HB3 LEU 14 - QB ALA 18 poor 12 59 20 - 5.0-6.5 HB3 LYS 20 - QB ALA 18 far 0 100 0 - 5.4-7.1 HB2 LYS 94 - QB ALA 18 far 0 93 0 - 7.5-9.2 HB3 LYS 13 - QB ALA 18 far 0 82 0 - 7.6-8.6 HB2 LYS 13 - QB ALA 18 far 0 85 0 - 7.6-8.7 HB3 LYS 24 - QB ALA 18 far 0 91 0 - 8.0-10.7 HG3 GLU 88 - QB ALA 18 far 0 100 0 - 8.1-9.6 HB VAL 32 - QB ALA 18 far 0 100 0 - 8.2-9.2 HB2 LYS 24 - QB ALA 18 far 0 91 0 - 8.6-10.8 Violated in 3 structures by 0.01 A. Peak 8486 from cnoeabs.peaks (1.88, 1.23, 17.96 ppm; 4.49 A): 3 out of 8 assignments used, quality = 0.89: HB2 ARG 19 + QB ALA 18 OK 61 95 65 100 4.0-5.5 3.9/6283=72...(14) HB VAL 5 + QB ALA 18 OK 58 97 80 75 4.7-5.6 8671/8672=42...(9) HB3 LEU 14 + QB ALA 18 OK 31 82 40 94 5.0-6.5 3.1/12013=57, ~8395=30...(13) HB2 LYS 20 - QB ALA 18 far 0 97 0 - 5.6-7.5 HB3 LYS 13 - QB ALA 18 far 0 59 0 - 7.6-8.6 HB ILE 8 - QB ALA 18 far 0 92 0 - 8.2-8.9 HB2 LYS 12 - QB ALA 18 far 0 99 0 - 8.3-8.8 HB3 LYS 12 - QB ALA 18 far 0 99 0 - 9.0-9.5 Violated in 3 structures by 0.01 A. Peak 8487 from cnoeabs.peaks (1.72, 1.23, 17.96 ppm; 4.88 A): 2 out of 13 assignments used, quality = 0.99: HB ILE 15 + QB ALA 18 OK 98 98 100 100 5.0-5.5 3.0/643=89, 10390/2.9=70...(11) HG12 ILE 15 + QB ALA 18 OK 72 87 85 98 4.7-6.2 4.1/643=74, ~10390=40...(13) HD2 LYS 90 - QB ALA 18 poor 18 90 20 - 3.0-7.2 HD3 LYS 90 - QB ALA 18 poor 6 91 25 28 3.6-7.6 6.1/8494=10, ~8490=8...(4) HG2 PRO 86 - QB ALA 18 far 0 85 0 - 7.1-8.3 HB3 ARG 91 - QB ALA 18 far 0 68 0 - 7.2-8.9 HD2 LYS 13 - QB ALA 18 far 0 95 0 - 7.4-10.4 HD3 LYS 12 - QB ALA 18 far 0 95 0 - 7.7-11.0 HD2 LYS 12 - QB ALA 18 far 0 95 0 - 8.1-11.1 HD3 LYS 13 - QB ALA 18 far 0 96 0 - 8.3-10.8 HD3 LYS 24 - QB ALA 18 far 0 91 0 - 8.5-11.4 HD2 LYS 24 - QB ALA 18 far 0 90 0 - 8.8-11.3 HB2 GLU 28 - QB ALA 18 far 0 85 0 - 9.5-10.5 Violated in 4 structures by 0.03 A. Peak 8488 from cnoeabs.peaks (1.57, 1.23, 17.96 ppm; 4.53 A): 2 out of 13 assignments used, quality = 0.94: HB3 LEU 29 + QB ALA 18 OK 77 82 95 98 4.7-5.5 3.1/8672=80, 3.1/8483=31...(15) HG2 ARG 19 + QB ALA 18 OK 76 96 80 99 3.6-6.1 6287/6283=66...(12) HG3 LYS 90 - QB ALA 18 far 14 96 15 - 5.1-6.4 HB2 ARG 30 - QB ALA 18 far 0 70 0 - 8.0-8.9 HG3 ARG 30 - QB ALA 18 far 0 59 0 - 8.3-10.0 HG3 LYS 12 - QB ALA 18 far 0 85 0 - 8.4-10.3 HG12 ILE 56 - QB ALA 18 far 0 61 0 - 8.6-10.2 HD3 LYS 94 - QB ALA 18 far 0 79 0 - 8.7-9.9 HG LEU 27 - QB ALA 18 far 0 79 0 - 8.7-9.9 HG2 LYS 24 - QB ALA 18 far 0 95 0 - 9.0-10.6 HB3 GLU 28 - QB ALA 18 far 0 100 0 - 9.6-10.9 HG2 ARG 79 - QB ALA 18 far 0 68 0 - 9.9-12.7 HB2 LEU 3 - QB ALA 18 far 0 96 0 - 9.9-11.2 Violated in 6 structures by 0.06 A. Peak 8489 from cnoeabs.peaks (1.81, 3.77, 54.96 ppm; 5.44 A): 3 out of 5 assignments used, quality = 1.00: HB ILE 93 + HA ALA 18 OK 100 100 100 100 3.9-5.5 3.2/8480=96, ~10020=69...(16) HB2 LYS 90 + HA ALA 18 OK 69 100 90 77 2.9-6.6 4.1/8497=29...(12) HB3 LYS 90 + HA ALA 18 OK 61 85 95 75 2.3-6.7 4.1/8497=29...(11) HB3 LEU 57 - HA ALA 18 far 0 96 0 - 6.5-7.7 HB2 GLU 88 - HA ALA 18 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 8490 from cnoeabs.peaks (2.93, 3.77, 54.96 ppm; 5.48 A): 2 out of 8 assignments used, quality = 0.98: HG2 MET 21 + HA ALA 18 OK 97 97 100 100 3.1-4.8 8545=79, 6335/769=76...(16) HE3 LYS 90 + HA ALA 18 OK 23 99 45 52 2.8-8.4 7.0/8497=18, 4.8/8489=16...(9) HE3 LYS 20 - HA ALA 18 far 5 98 5 - 6.2-9.2 HE2 LYS 20 - HA ALA 18 far 5 97 5 - 5.8-9.8 HE2 LYS 94 - HA ALA 18 far 0 100 0 - 8.5-12.1 HE3 LYS 24 - HA ALA 18 far 0 65 0 - 8.5-13.2 HE3 LYS 94 - HA ALA 18 far 0 96 0 - 9.1-12.2 HE2 LYS 24 - HA ALA 18 far 0 65 0 - 9.5-13.6 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, 8492/2.1=70...(16) HA GLU 16 + QB ALA 18 OK 98 99 100 100 4.6-5.0 6278/6283=51...(16) HA PRO 86 + QB ALA 18 OK 38 70 100 55 4.3-5.5 9854/10976=29...(7) HA LYS 20 - QB ALA 18 far 0 100 0 - 6.5-6.9 HB3 SER 59 - QB ALA 18 far 0 93 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 8492 from cnoeabs.peaks (4.07, 3.77, 54.96 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.97: HA GLU 17 + HA ALA 18 OK 97 98 100 100 4.7-4.8 ~6259=52, ~6266=51...(18) HA PRO 86 - HA ALA 18 far 4 87 5 - 5.6-7.1 HA GLU 16 - HA ALA 18 far 0 91 0 - 6.2-6.5 HA LYS 20 - HA ALA 18 far 0 97 0 - 6.5-6.9 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 5.2-6.2 3.0/769=95, 3.0/959=75...(12) Violated in 2 structures by 0.02 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 GLU 17 + QB ALA 18 OK 99 100 100 100 4.4-4.6 6259/2.9=85...(11) H ILE 15 + QB ALA 18 OK 99 100 100 99 4.6-5.1 3.0/643=80...(11) H LYS 90 + QB ALA 18 OK 70 88 95 83 3.7-5.4 7408/10976=43...(10) H LYS 13 - QB ALA 18 far 0 100 0 - 7.8-8.3 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 4.3-5.0 8526=97, 6291/6283=97...(16) H SER 9 - QB ALA 18 far 0 95 0 - 7.2-7.9 HE ARG 30 - QB ALA 18 far 0 100 0 - 8.2-11.2 H GLU 28 - QB ALA 18 far 0 100 0 - 8.7-10.2 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 4.5-4.9 8560=88, 769/2.1=81...(14) H SER 85 - QB ALA 18 far 0 97 0 - 7.4-9.2 H ALA 25 - QB ALA 18 far 0 99 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 8497 from cnoeabs.peaks (8.05, 3.77, 54.96 ppm; 5.49 A): 2 out of 4 assignments used, quality = 1.00: H LYS 90 + HA ALA 18 OK 98 100 100 98 3.9-5.5 7415/12030=85...(9) H GLU 17 + HA ALA 18 OK 97 97 100 100 5.3-5.4 6266/2.9=95, 6279/3.6=79...(7) H GLU 16 - HA ALA 18 far 0 71 0 - 6.7-7.1 H ILE 15 - HA ALA 18 far 0 85 0 - 7.2-7.7 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 1 assignment used, quality = 1.00: H LYS 20 + HA ALA 18 OK 100 100 100 100 4.2-5.0 6291/3.6=94, 8526/2.1=88...(10) Violated in 0 structures by 0.00 A. Peak 8502 from cnoeabs.peaks (4.03, 3.18, 43.16 ppm; 4.13 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 16 + HD2 ARG 19 OK 95 98 100 98 2.0-4.9 8503/3.0=40, 8529=39...(18) HA GLU 16 + HD3 ARG 19 OK 91 98 95 98 2.0-5.0 8503/3.0=40, 8529=39...(19) HA LYS 20 - HD3 ARG 19 far 5 92 5 - 5.0-6.7 HA LYS 20 - HD2 ARG 19 far 0 92 0 - 5.5-7.8 HA GLU 17 - HD3 ARG 19 far 0 91 0 - 6.2-8.8 HA GLU 17 - HD2 ARG 19 far 0 91 0 - 6.6-9.0 Violated in 2 structures by 0.00 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 98 100 100 98 2.0-4.7 798/3.0=46, 788/3.0=42...(18) HA LYS 20 + HG2 ARG 19 OK 29 97 30 100 3.1-6.5 2.9/6302=63, ~6303=49...(18) HA GLU 17 - HG2 ARG 19 far 10 96 10 - 5.1-8.1 HA LEU 70 - HD2 LYS 66 far 0 77 0 - 6.5-10.4 Violated in 0 structures by 0.00 A. Peak 8507 from cnoeabs.peaks (0.64, 3.81, 59.98 ppm; 3.14 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 29 + HA ARG 19 OK 99 100 100 99 1.9-2.9 8685=66, 8693/3.0=34...(28) QD1 LEU 29 + HA ARG 19 OK 94 96 100 99 2.0-2.8 2.1/8685=52...(27) QG2 ILE 56 - HA LYS 68 far 0 60 0 - 5.2-6.5 QD1 ILE 7 - HA ARG 19 far 0 95 0 - 5.4-6.3 QG2 VAL 58 - HA LYS 68 far 0 60 0 - 6.7-7.7 QG2 VAL 54 - HA LYS 68 far 0 94 0 - 8.3-9.6 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 = 0.90: QD1 LEU 64 + HA LYS 68 OK 77 97 90 89 4.0-4.9 10762/10260=40...(19) QD1 ILE 93 + HA ARG 19 OK 41 96 50 85 3.9-5.2 10020/8511=36...(12) QG2 VAL 78 + HA LYS 68 OK 28 70 65 60 2.9-6.3 8182=22, 10194/4.9=18...(10) QG1 VAL 78 - HA LYS 68 far 15 99 15 - 4.3-5.6 QG2 ILE 93 - HA ARG 19 far 5 100 5 - 4.3-6.3 HG13 ILE 93 - HA ARG 19 far 0 99 0 - 4.9-8.5 QD2 LEU 42 - HA LYS 68 far 0 97 0 - 4.9-6.9 QG1 VAL 5 - HA ARG 19 far 0 81 0 - 4.9-6.0 QG1 VAL 58 - HA LYS 68 far 0 69 0 - 6.0-7.3 QD1 LEU 27 - HA ARG 19 far 0 97 0 - 6.9-8.4 HG13 ILE 15 - HA ARG 19 far 0 100 0 - 7.0-8.8 QG1 VAL 54 - HA LYS 68 far 0 99 0 - 7.3-8.5 QD1 LEU 6 - HA LYS 68 far 0 95 0 - 7.4-9.1 QD1 ILE 15 - HA ARG 19 far 0 100 0 - 7.7-8.6 QD2 LEU 27 - HA ARG 19 far 0 85 0 - 8.2-9.4 HG3 ARG 81 - HA LYS 68 far 0 96 0 - 9.1-11.1 QG1 VAL 54 - HA ARG 19 far 0 100 0 - 9.4-10.5 QG2 ILE 8 - HA LYS 68 far 0 72 0 - 9.4-10.6 QG2 ILE 52 - HA LYS 68 far 0 86 0 - 9.7-12.5 QD1 LEU 6 - HA ARG 19 far 0 96 0 - 9.7-10.7 Violated in 11 structures by 0.06 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 2.4-4.0 9529/2.9=65...(22) QG2 VAL 5 - HA ARG 19 far 0 91 0 - 5.9-7.0 HB2 ARG 81 - HA LYS 68 far 0 67 0 - 8.4-11.6 HG LEU 55 - HA LYS 68 far 0 100 0 - 9.4-11.7 QG2 VAL 83 - HA ARG 19 far 0 100 0 - 9.6-10.5 HG LEU 55 - HA ARG 19 far 0 100 0 - 9.8-11.4 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...(25) HB2 LEU 6 - HA LYS 68 far 0 58 0 - 9.0-11.1 HB2 LEU 6 - HA ARG 19 far 0 59 0 - 9.5-11.3 HB2 LEU 57 - HA ARG 19 far 0 88 0 - 9.9-10.9 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 3.1-4.3 3.1/8685=86, 8577/787=49...(21) QG2 THR 31 + HA ARG 19 OK 45 95 60 79 5.4-6.4 8731/8685=61...(5) HB2 LEU 6 - HA LYS 68 far 0 89 0 - 9.0-11.1 HB2 LEU 6 - HA ARG 19 far 0 90 0 - 9.5-11.3 HB2 LEU 57 - HA ARG 19 far 0 61 0 - 9.9-10.9 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 = 0.98: HG3 GLU 23 + HA ARG 19 OK 95 99 100 96 4.5-6.2 10459/787=59, 12338=47...(6) HG3 GLN 72 + HA LYS 68 OK 60 60 100 99 4.1-6.4 3.9/10791=66...(18) HG2 MET 74 - HA LYS 68 far 0 80 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 8514 from cnoeabs.peaks (0.80, 1.89, 29.57 ppm; 4.58 A): 2 out of 18 assignments used, quality = 0.99: QG2 ILE 15 + HB2 ARG 19 OK 98 99 100 99 2.9-5.3 10415/789=56...(13) QD1 ILE 76 + HB2 GLU 43 OK 29 62 65 72 4.4-5.9 10609/3.0=34...(7) QG2 ILE 7 - HB2 ARG 19 far 15 100 15 - 4.8-7.5 QD1 ILE 93 - HB2 ARG 19 far 0 75 0 - 5.7-7.3 QD2 LEU 103 - HB3 GLU 104 far 0 42 0 - 6.1-7.5 QD2 LEU 42 - HB2 GLU 43 far 0 36 0 - 7.2-7.6 QD2 LEU 57 - HB2 ARG 19 far 0 100 0 - 8.0-11.1 QD1 LEU 6 - HB2 GLU 43 far 0 41 0 - 8.1-9.4 QD1 LEU 27 - HB2 ARG 19 far 0 73 0 - 8.3-10.3 QD1 LEU 70 - HB2 GLU 43 far 0 56 0 - 8.6-11.1 QD2 LEU 70 - HB2 GLU 43 far 0 61 0 - 8.7-11.4 QG2 ILE 52 - HB2 GLU 43 far 0 50 0 - 8.8-10.3 QG1 VAL 54 - HB2 GLU 43 far 0 30 0 - 9.2-10.7 QD1 LEU 57 - HB3 GLU 104 far 0 41 0 - 9.4-20.5 QG2 VAL 32 - HB2 ARG 19 far 0 75 0 - 9.5-11.6 QD1 LEU 57 - HB2 ARG 19 far 0 82 0 - 10.0-11.9 QD1 LEU 6 - HB2 ARG 19 far 0 77 0 - 10.0-12.2 QG1 VAL 54 - HB2 ARG 19 far 0 59 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 8515 from cnoeabs.peaks (0.65, 1.89, 29.57 ppm; 4.14 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 29 + HB2 ARG 19 OK 100 100 100 100 1.9-3.9 8685/3.0=70, 8673/3.0=68...(31) QD1 LEU 29 + HB2 ARG 19 OK 100 100 100 100 3.0-5.0 2.1/8674=54...(27) QD1 ILE 7 - HB2 ARG 19 far 4 82 5 - 5.0-7.7 QD2 LEU 6 - HB2 ARG 19 far 0 59 0 - 7.6-10.8 QG2 VAL 54 - HB2 GLU 43 far 0 61 0 - 8.2-9.7 QD1 LEU 14 - HB2 ARG 19 far 0 77 0 - 8.8-11.3 QD2 LEU 6 - HB2 GLU 43 far 0 30 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 8516 from cnoeabs.peaks (0.80, 1.93, 29.57 ppm; 4.53 A): 1 out of 15 assignments used, quality = 0.98: QG2 ILE 15 + HB3 ARG 19 OK 98 99 100 99 2.8-5.0 10415/799=55...(14) QD1 ILE 76 - HB2 GLU 43 poor 17 47 55 67 4.4-5.9 10609/3.0=34...(6) QG2 ILE 7 - HB3 ARG 19 far 15 100 15 - 4.5-7.4 QD1 ILE 93 - HB3 ARG 19 far 4 75 5 - 5.3-7.1 QD2 LEU 42 - HB2 GLU 43 far 0 27 0 - 7.2-7.6 QD2 LEU 57 - HB3 ARG 19 far 0 100 0 - 7.7-11.1 QD1 LEU 6 - HB2 GLU 43 far 0 30 0 - 8.1-9.4 QD1 LEU 70 - HB2 GLU 43 far 0 42 0 - 8.6-11.1 QD2 LEU 70 - HB2 GLU 43 far 0 46 0 - 8.7-11.4 QG2 VAL 32 - HB3 ARG 19 far 0 75 0 - 8.8-12.1 QG2 ILE 52 - HB2 GLU 43 far 0 37 0 - 8.8-10.3 QD1 LEU 27 - HB3 ARG 19 far 0 73 0 - 9.1-10.7 QG1 VAL 54 - HB2 GLU 43 far 0 22 0 - 9.2-10.7 QD1 LEU 57 - HB3 ARG 19 far 0 82 0 - 9.8-11.7 QD1 LEU 6 - HB3 ARG 19 far 0 77 0 - 9.9-12.8 Violated in 2 structures by 0.05 A. Peak 8517 from cnoeabs.peaks (0.65, 1.93, 29.57 ppm; 4.12 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 29 + HB3 ARG 19 OK 100 100 100 100 1.9-4.6 8685/3.0=69, 8673/3.0=67...(32) QD1 LEU 29 + HB3 ARG 19 OK 95 100 95 100 3.2-5.1 10499/3.0=50...(28) QD1 ILE 7 - HB3 ARG 19 far 0 82 0 - 5.1-7.2 QD2 LEU 6 - HB3 ARG 19 far 0 59 0 - 7.7-11.4 QG2 VAL 54 - HB2 GLU 43 far 0 46 0 - 8.2-9.7 QD1 LEU 14 - HB3 ARG 19 far 0 77 0 - 8.6-10.9 QD2 LEU 6 - HB2 GLU 43 far 0 22 0 - 9.4-10.4 Violated in 1 structures by 0.01 A. Peak 8518 from cnoeabs.peaks (0.66, 1.58, 27.71 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.97: QD2 LEU 29 + HG2 ARG 19 OK 92 92 100 100 1.9-4.3 8673/1.8=65, 8685/809=40...(27) QD1 LEU 29 + HG2 ARG 19 OK 69 99 70 99 2.9-5.4 10499/1.8=46, ~8673=45...(26) QD2 LEU 6 - HG2 ARG 19 far 0 87 0 - 7.2-10.4 QG2 VAL 58 - HD2 LYS 66 far 0 82 0 - 8.0-9.7 QD1 LEU 42 - HD2 LYS 66 far 0 67 0 - 8.0-10.4 QD1 LEU 14 - HG2 ARG 19 far 0 96 0 - 8.8-11.3 Violated in 5 structures by 0.04 A. Peak 8519 from cnoeabs.peaks (0.80, 1.76, 27.71 ppm; 4.32 A): 2 out of 9 assignments used, quality = 0.98: QG2 ILE 15 + HG3 ARG 19 OK 96 97 100 99 1.9-4.8 10415/6288=50...(13) QG2 ILE 7 + HG3 ARG 19 OK 42 100 65 65 3.9-7.2 10501/8673=38...(7) QD1 ILE 15 - HG3 ARG 19 far 0 65 0 - 5.4-7.9 QD1 ILE 93 - HG3 ARG 19 far 0 84 0 - 5.4-6.6 QD2 LEU 57 - HG3 ARG 19 far 0 100 0 - 7.4-10.3 QG2 VAL 32 - HG3 ARG 19 far 0 65 0 - 8.6-11.9 QD1 LEU 57 - HG3 ARG 19 far 0 73 0 - 8.7-11.8 QD1 LEU 27 - HG3 ARG 19 far 0 82 0 - 9.5-11.0 QG1 VAL 54 - HG3 ARG 19 far 0 70 0 - 10.0-12.7 Violated in 3 structures by 0.05 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 2.0-4.1 8673=100, 8685/782=50...(26) QD1 LEU 29 + HG3 ARG 19 OK 79 99 80 100 3.1-5.3 2.1/8673=70, 10499=46...(25) QD1 ILE 7 - HG3 ARG 19 far 13 90 15 - 4.5-7.5 QD1 LEU 14 - HG3 ARG 19 far 0 68 0 - 8.3-10.1 Violated in 3 structures by 0.02 A. Peak 8521 from cnoeabs.peaks (0.80, 3.18, 43.16 ppm; 3.96 A): 2 out of 14 assignments used, quality = 1.00: QG2 ILE 15 + HD3 ARG 19 OK 95 97 100 98 2.1-4.6 8516/3.6=37, 8519/3.0=36...(16) QG2 ILE 15 + HD2 ARG 19 OK 95 97 100 98 1.9-4.2 8516/3.6=37, 8519/3.0=36...(16) QG2 ILE 7 - HD2 ARG 19 poor 17 100 30 55 4.5-7.1 8519/3.0=16...(8) QD1 ILE 15 - HD2 ARG 19 far 0 65 0 - 5.1-7.5 QG2 ILE 7 - HD3 ARG 19 far 0 100 0 - 5.3-7.5 QD1 ILE 15 - HD3 ARG 19 far 0 65 0 - 5.9-7.9 QD1 ILE 93 - HD3 ARG 19 far 0 84 0 - 7.0-8.5 QD1 ILE 93 - HD2 ARG 19 far 0 84 0 - 7.0-8.4 QG2 VAL 32 - HD2 ARG 19 far 0 65 0 - 8.3-11.6 QD2 LEU 57 - HD2 ARG 19 far 0 100 0 - 8.8-11.6 QG2 VAL 32 - HD3 ARG 19 far 0 65 0 - 8.9-12.0 QD1 LEU 27 - HD3 ARG 19 far 0 82 0 - 9.5-12.1 QD2 LEU 57 - HD3 ARG 19 far 0 100 0 - 9.5-12.0 QD1 LEU 6 - HD2 ARG 19 far 0 85 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 8522 from cnoeabs.peaks (0.64, 3.18, 43.16 ppm; 4.09 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 29 + HD2 ARG 19 OK 100 100 100 100 2.3-4.8 8673/3.0=66, 8686=41...(22) QD2 LEU 29 + HD3 ARG 19 OK 100 100 100 100 2.0-5.0 8673/3.0=66, 8686=41...(21) QD1 LEU 29 - HD2 ARG 19 far 15 99 15 - 4.2-6.0 QD1 LEU 29 - HD3 ARG 19 far 10 99 10 - 3.7-6.4 QD1 ILE 7 - HD2 ARG 19 far 0 90 0 - 5.7-8.3 QD1 ILE 7 - HD3 ARG 19 far 0 90 0 - 6.1-8.0 QD1 LEU 14 - HD2 ARG 19 far 0 68 0 - 9.1-11.1 QD1 LEU 14 - HD3 ARG 19 far 0 68 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 8523 from cnoeabs.peaks (1.44, 3.18, 43.16 ppm; 5.47 A): 2 out of 11 assignments used, quality = 0.59: HG2 LYS 20 + HD3 ARG 19 OK 45 97 75 62 3.5-7.1 6309/6304=39...(6) HG LEU 29 + HD2 ARG 19 OK 25 99 25 100 4.9-8.1 ~8673=68, ~10499=57...(16) QB ALA 22 - HD3 ARG 19 poor 20 99 20 - 4.5-7.6 HG2 LYS 20 - HD2 ARG 19 poor 19 97 35 56 4.4-7.9 6309/6304=27...(5) HG2 LYS 12 - HD2 ARG 19 far 10 100 10 - 6.4-9.4 HG LEU 29 - HD3 ARG 19 far 10 99 10 - 4.7-8.4 QB ALA 22 - HD2 ARG 19 far 10 99 10 - 5.6-7.4 HG2 LYS 12 - HD3 ARG 19 far 0 100 0 - 6.6-9.9 HG12 ILE 7 - HD2 ARG 19 far 0 93 0 - 8.7-11.6 HB2 LEU 27 - HD3 ARG 19 far 0 97 0 - 9.0-12.2 HG12 ILE 7 - HD3 ARG 19 far 0 93 0 - 9.3-11.4 Violated in 6 structures by 0.11 A. Peak 8524 from cnoeabs.peaks (1.14, 3.18, 43.16 ppm; 5.81 A): 2 out of 4 assignments used, quality = 0.98: QG2 THR 31 + HD2 ARG 19 OK 88 100 100 88 2.6-5.9 10123/10120=46...(6) QG2 THR 31 + HD3 ARG 19 OK 87 100 100 87 4.0-6.6 10123/10120=46...(5) HB2 LEU 29 - HD3 ARG 19 far 13 90 15 - 5.3-8.8 HB2 LEU 29 - HD2 ARG 19 far 4 90 5 - 6.2-8.5 Violated in 0 structures by 0.00 A. Peak 8525 from cnoeabs.peaks (2.14, 3.18, 43.16 ppm; 5.99 A): 2 out of 9 assignments used, quality = 0.89: HB3 GLU 16 + HD3 ARG 19 OK 71 81 90 98 3.6-8.0 3.0/8502=47, ~8503=45...(12) HB3 GLU 16 + HD2 ARG 19 OK 63 81 80 98 3.5-7.7 3.0/8502=49, ~8503=45...(11) HB3 GLU 23 - HD3 ARG 19 far 10 96 10 - 6.5-9.2 HB3 GLU 23 - HD2 ARG 19 far 0 96 0 - 7.2-10.3 QE MET 21 - HD3 ARG 19 far 0 59 0 - 9.2-10.3 HB2 PRO 86 - HD2 ARG 19 far 0 94 0 - 9.4-12.2 HB2 PRO 86 - HD3 ARG 19 far 0 94 0 - 9.7-12.1 QE MET 21 - HD2 ARG 19 far 0 59 0 - 9.8-10.8 HB3 PRO 86 - HD2 ARG 19 far 0 71 0 - 9.9-12.3 Violated in 3 structures by 0.08 A. Peak 8529 from cnoeabs.peaks (3.18, 4.04, 59.03 ppm; 4.43 A): 2 out of 7 assignments used, quality = 1.00: HD3 ARG 19 + HA GLU 16 OK 99 100 100 99 2.0-5.0 8502=47, 3.0/8503=46...(19) HD2 ARG 19 + HA GLU 16 OK 99 100 100 99 2.0-4.9 8502=49, 3.0/8503=46...(18) HD3 ARG 19 - HA LYS 20 far 12 81 15 - 5.0-6.7 HD2 ARG 19 - HA LYS 20 far 0 81 0 - 5.5-7.8 HD3 ARG 19 - HA GLU 17 far 0 55 0 - 6.2-8.8 HD2 ARG 19 - HA GLU 17 far 0 55 0 - 6.6-9.0 HB3 TRP 92 - HA GLU 95 far 0 41 0 - 7.3-8.1 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 20 assignments used, quality = 0.98: QG2 ILE 15 + HA GLU 16 OK 98 98 100 100 2.8-3.3 10122=73, 660/3.0=58...(27) QG2 ILE 7 - HA GLU 16 far 0 100 0 - 5.6-6.3 QD1 ILE 93 - HA GLU 17 far 0 38 0 - 5.6-7.4 QD1 ILE 15 - HA GLU 16 far 0 61 0 - 5.8-6.0 QD1 LEU 27 - HA GLU 95 far 0 32 0 - 6.3-6.9 QD1 ILE 93 - HA LYS 20 far 0 58 0 - 6.3-8.0 QG2 ILE 15 - HA GLU 17 far 0 52 0 - 6.4-6.7 QD1 ILE 93 - HA GLU 16 far 0 81 0 - 6.6-8.0 QG2 ILE 15 - HA LYS 20 far 0 76 0 - 7.0-8.3 QD2 LEU 103 - HA GLU 95 far 0 32 0 - 7.2-15.2 QD1 ILE 93 - HA GLU 95 far 0 33 0 - 7.6-8.6 QD1 ILE 15 - HA GLU 17 far 0 27 0 - 7.7-8.6 QG2 ILE 7 - HA GLU 17 far 0 55 0 - 7.9-8.5 QD1 LEU 27 - HA LYS 20 far 0 57 0 - 8.5-9.7 QD1 LEU 57 - HA GLU 95 far 0 31 0 - 8.9-10.2 QG2 ILE 7 - HA LYS 20 far 0 81 0 - 8.9-10.2 QD2 LEU 57 - HA GLU 95 far 0 48 0 - 9.0-10.0 QD1 LEU 57 - HA GLU 17 far 0 36 0 - 9.1-11.3 QD2 LEU 57 - HA GLU 17 far 0 55 0 - 9.2-11.6 QD2 LEU 57 - HA GLU 16 far 0 100 0 - 9.2-11.6 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 3.9-4.6 6360=99, 6354/3.6=90...(12) H LYS 94 + HA MET 21 OK 48 100 50 96 5.6-6.6 8534/3.9=68, 8536/954=46...(7) H LEU 27 - HA MET 21 far 0 84 0 - 7.4-8.0 H LEU 103 - HA HIS 106 far 0 89 0 - 7.7-11.4 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 4.6-5.4 6354/4.6=78, 6360/3.0=74...(8) H LYS 94 + HB3 MET 21 OK 99 99 100 100 3.1-5.9 8534/3.0=79...(14) H LYS 94 + HG3 MET 21 OK 97 97 100 100 3.2-6.1 8534/1.8=93, 10034=48...(15) H GLU 23 + HG3 MET 21 OK 65 98 70 95 5.9-7.2 6360/3.9=65, 6339/5.1=54...(6) H LEU 27 - HB3 MET 21 far 0 75 0 - 7.2-8.6 H LEU 27 - HG3 MET 21 far 0 71 0 - 8.3-10.3 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 3.9-5.5 7507/10011=60...(15) H GLU 23 - HG2 MET 21 far 5 99 5 - 4.6-7.2 H LEU 27 - HG2 MET 21 far 0 84 0 - 6.9-10.4 Violated in 5 structures by 0.09 A. Peak 8535 from cnoeabs.peaks (8.37, 2.10, 17.93 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.98: H ILE 93 + QE MET 21 OK 91 99 95 98 4.2-5.7 4.0/10319=63...(11) H GLU 95 + QE MET 21 OK 77 97 85 93 4.5-6.0 7528/8536=40...(11) Violated in 7 structures by 0.06 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 2.5-4.1 4.3/10319=42...(24) H GLU 23 + QE MET 21 OK 71 93 80 96 4.3-5.2 6354/6351=55...(11) H LEU 27 - QE MET 21 far 0 96 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 8537 from cnoeabs.peaks (8.05, 2.10, 17.93 ppm; 4.53 A): 0 out of 2 assignments used, quality = 0.00: H LYS 90 - QE MET 21 far 0 100 0 - 5.4-7.3 H GLU 17 - QE MET 21 far 0 99 0 - 8.4-9.6 Violated in 20 structures by 1.81 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 3.3-4.3 3.0/8540=81, 6373/954=81...(13) H GLU 88 - QE MET 21 far 0 100 0 - 9.2-10.3 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 = 0.48: H ARG 91 + QE MET 21 OK 48 99 50 97 5.4-6.6 3.6/8543=78...(11) HD22 ASN 26 - QE MET 21 far 0 99 0 - 6.9-9.0 HE ARG 19 - QE MET 21 far 0 84 0 - 8.9-11.0 Violated in 20 structures by 0.89 A. Peak 8540 from cnoeabs.peaks (4.07, 2.10, 17.93 ppm; 4.52 A): 1 out of 5 assignments used, quality = 0.61: HA LYS 24 + QE MET 21 OK 61 79 85 92 4.6-5.5 3.0/8538=51, 4.8/8624=48...(8) HA LYS 20 - QE MET 21 far 0 92 0 - 5.8-6.3 HA GLU 17 - QE MET 21 far 0 93 0 - 6.5-7.8 HA PRO 86 - QE MET 21 far 0 94 0 - 8.9-10.3 HA GLU 16 - QE MET 21 far 0 82 0 - 9.1-9.8 Violated in 20 structures by 0.56 A. Peak 8541 from cnoeabs.peaks (3.86, 2.10, 17.93 ppm; 3.71 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 94 + QE MET 21 OK 96 99 100 97 2.1-3.6 12249/10319=37...(25) HA ALA 22 + QE MET 21 OK 74 77 100 96 3.4-4.2 3.0/6351=58...(19) HA ARG 91 - QE MET 21 poor 15 75 30 68 4.0-5.8 3.0/8539=34...(13) HA2 GLY 100 - QE MET 21 far 0 99 0 - 10.0-12.3 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 4 assignments used, quality = 0.83: HA ALA 22 + QE MET 21 OK 73 73 100 99 3.4-4.2 3.0/6351=74, ~6349=26...(21) HA ALA 18 + QE MET 21 OK 36 93 40 98 4.9-6.2 769/6337=54, 8545/3.4=49...(11) HA ARG 19 - QE MET 21 far 0 96 0 - 6.5-7.1 HA SER 97 - QE MET 21 far 0 90 0 - 6.8-8.5 Violated in 0 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 = 0.90: HA LYS 90 + QE MET 21 OK 90 100 90 100 3.0-5.2 10312=72, 3920/3.4=58...(24) HA GLU 88 - QE MET 21 far 0 100 0 - 8.2-9.6 HA LEU 14 - QE MET 21 far 0 92 0 - 9.9-10.9 Violated in 16 structures by 0.38 A. Peak 8545 from cnoeabs.peaks (3.80, 2.94, 31.91 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.86: HA ALA 18 + HG2 MET 21 OK 86 87 100 99 3.1-4.8 769/6335=54...(16) HA ALA 22 - HG2 MET 21 far 4 82 5 - 2.9-6.6 HA ARG 19 - HG2 MET 21 far 0 99 0 - 6.5-7.7 HA SER 97 - HG2 MET 21 far 0 95 0 - 9.0-12.3 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 2.0-3.9 3920=99, 9948/3.0=67...(23) HA GLU 88 - HG2 MET 21 far 0 100 0 - 7.7-10.3 HA LEU 14 - HG2 MET 21 far 0 92 0 - 8.0-11.3 Violated in 0 structures by 0.00 A. Peak 8547 from cnoeabs.peaks (3.79, 2.40, 31.91 ppm; 4.95 A): 4 out of 8 assignments used, quality = 1.00: HA ALA 18 + HG3 MET 21 OK 93 93 100 100 3.6-5.5 8545/1.8=81, 770/3.0=57...(16) HA ALA 18 + HB3 MET 21 OK 89 89 100 100 2.3-5.2 8545/3.0=67, 770/1.8=66...(15) HA ALA 22 + HB3 MET 21 OK 69 69 100 100 3.8-4.9 ~6347=67, ~967=57...(18) HA ARG 19 + HB3 MET 21 OK 35 93 45 84 5.0-6.5 786/4.6=54, 6321/4.0=38...(6) HA ALA 22 - HG3 MET 21 far 4 73 5 - 4.3-6.6 HA ARG 19 - HG3 MET 21 far 0 96 0 - 6.7-7.7 HA SER 97 - HB3 MET 21 far 0 85 0 - 8.7-11.5 HA SER 97 - HG3 MET 21 far 0 90 0 - 9.8-12.7 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 2.0-4.6 3920/1.8=92, 9948/3.0=74...(26) HA LYS 90 + HB3 MET 21 OK 98 98 100 100 2.8-3.9 9948/1.8=90, 3920/3.0=75...(26) HA GLU 88 - HG3 MET 21 far 0 98 0 - 7.9-9.9 HA LEU 14 - HB3 MET 21 far 0 96 0 - 8.4-10.9 HA LEU 14 - HG3 MET 21 far 0 99 0 - 8.5-10.3 HA GLU 88 - HB3 MET 21 far 0 94 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 8549 from cnoeabs.peaks (3.67, 2.05, 32.03 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 90 + HB2 MET 21 OK 100 100 100 100 2.8-3.9 9948=100, 3920/3.0=79...(21) HA LYS 90 + HB3 LYS 94 OK 21 53 50 81 3.7-7.4 7501/7509=66...(7) HA GLU 88 - HB3 LYS 94 far 0 51 0 - 7.7-10.0 HA LEU 14 - HB2 MET 21 far 0 96 0 - 8.5-10.9 HA GLU 88 - HB2 MET 21 far 0 99 0 - 9.2-10.2 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 = 0.91: QB ALA 25 + QE MET 21 OK 86 96 100 90 2.4-3.3 8624=44, 2.9/8612=21...(15) HG2 LYS 94 + QE MET 21 OK 36 96 45 83 3.6-4.8 1.8/12253=26...(15) HG2 LYS 90 - QE MET 21 far 0 65 0 - 4.6-7.0 QB ALA 89 - QE MET 21 far 0 96 0 - 5.6-7.6 HB3 LEU 27 - QE MET 21 far 0 91 0 - 6.8-7.7 HG LEU 14 - QE MET 21 far 0 82 0 - 9.7-10.8 HG LEU 3 - QE MET 21 far 0 87 0 - 9.9-12.0 Violated in 1 structures by 0.00 A. Peak 8552 from cnoeabs.peaks (0.76, 2.10, 17.93 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 93 + QE MET 21 OK 99 100 100 99 2.1-3.7 10319=64, 10012/3.4=33...(29) QD1 ILE 93 + QE MET 21 OK 72 98 75 98 3.5-5.0 3.1/10319=42, 10318=41...(21) QD1 LEU 27 - QE MET 21 far 5 98 5 - 4.3-5.3 HG13 ILE 93 - QE MET 21 far 0 98 0 - 4.7-6.2 QG1 VAL 5 - QE MET 21 far 0 77 0 - 5.9-7.0 QD2 LEU 27 - QE MET 21 far 0 82 0 - 6.2-7.0 QD2 LEU 57 - QE MET 21 far 0 59 0 - 6.9-8.4 QG1 VAL 54 - QE MET 21 far 0 100 0 - 9.9-10.9 Violated in 1 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 2.0-4.2 2.1/10013=56...(22) HB2 LYS 90 + HG3 MET 21 OK 93 98 95 100 2.4-5.2 ~3920=42, ~8546=39...(39) HB3 LYS 90 + HG3 MET 21 OK 85 85 100 100 2.0-4.9 ~3920=42, ~8546=39...(39) HB3 LYS 90 + HB3 MET 21 OK 71 90 80 99 3.0-5.9 ~9948=42, 10309/1.8=30...(37) HB ILE 93 + HG3 MET 21 OK 58 96 60 100 2.0-5.1 10011/1.8=63, ~10012=45...(23) HB2 LYS 90 + HB3 MET 21 OK 54 100 55 99 3.8-6.1 ~9948=42, ~8549=29...(38) HB3 LEU 57 - HG3 MET 21 far 0 95 0 - 8.2-12.0 HB3 LEU 57 - HB3 MET 21 far 0 98 0 - 8.9-10.7 HB2 GLU 88 - HG3 MET 21 far 0 98 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 8554 from cnoeabs.peaks (1.33, 2.40, 32.03 ppm; 4.60 A): 1 out of 10 assignments used, quality = 0.57: QB ALA 25 + HB3 MET 21 OK 57 99 65 89 4.2-5.9 8624/4.3=55, 8570/4.6=34...(9) QB ALA 89 - HB3 MET 21 poor 16 99 25 67 4.9-7.0 9932/8555=30...(7) QB ALA 89 - HG3 MET 21 poor 16 95 25 67 4.6-7.6 8557/1.8=27...(6) HG2 LYS 94 - HB3 MET 21 far 5 99 5 - 5.0-9.3 HG2 LYS 94 - HG3 MET 21 far 5 95 5 - 4.2-8.3 QB ALA 25 - HG3 MET 21 far 5 95 5 - 5.1-6.8 HB3 LEU 27 - HB3 MET 21 far 0 96 0 - 7.6-9.2 HB3 LEU 27 - HG3 MET 21 far 0 92 0 - 7.9-11.3 HG LEU 14 - HB3 MET 21 far 0 90 0 - 8.2-11.1 HG LEU 14 - HG3 MET 21 far 0 85 0 - 8.7-10.7 Violated in 10 structures by 0.48 A. Peak 8555 from cnoeabs.peaks (0.75, 2.40, 32.03 ppm; 3.57 A): 3 out of 12 assignments used, quality = 1.00: QG2 ILE 93 + HB3 MET 21 OK 99 100 100 99 2.0-4.1 10013=52, 10012/3.0=40...(27) QD1 ILE 93 + HB3 MET 21 OK 93 94 100 99 2.6-4.2 4166/1.8=37...(27) QD1 ILE 93 + HG3 MET 21 OK 49 90 55 99 2.0-6.2 10024/1.8=38...(29) QG2 ILE 93 - HG3 MET 21 poor 20 98 20 - 2.9-5.4 HG13 ILE 93 - HB3 MET 21 far 10 99 10 - 3.4-5.6 HG13 ILE 93 - HG3 MET 21 far 5 97 5 - 3.8-7.6 QG1 VAL 5 - HG3 MET 21 far 0 81 0 - 4.9-8.8 QD1 LEU 27 - HB3 MET 21 far 0 95 0 - 5.3-7.3 QD1 LEU 27 - HG3 MET 21 far 0 91 0 - 5.5-8.6 QG1 VAL 5 - HB3 MET 21 far 0 85 0 - 5.6-6.6 QD2 LEU 27 - HB3 MET 21 far 0 90 0 - 7.6-9.3 QD2 LEU 27 - HG3 MET 21 far 0 85 0 - 8.0-10.5 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 5 assignments used, quality = 1.00: HB ILE 93 + HG2 MET 21 OK 100 100 100 100 2.6-4.7 10011=67, 2.1/10012=60...(21) HB2 LYS 90 + HG2 MET 21 OK 94 100 95 100 1.9-6.3 3.0/3920=64...(28) HB3 LYS 90 + HG2 MET 21 OK 82 82 100 100 1.9-4.8 3.0/3920=64...(28) HB2 GLU 88 - HG2 MET 21 far 0 100 0 - 9.1-11.4 HB3 LEU 57 - HG2 MET 21 far 0 95 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 8557 from cnoeabs.peaks (1.32, 2.94, 31.91 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.75: HG2 LYS 90 + HG2 MET 21 OK 62 65 95 100 2.3-7.1 4.0/3920=66...(18) QB ALA 89 + HG2 MET 21 OK 35 96 40 92 4.2-6.6 9932/10024=60...(8) QB ALA 25 - HG2 MET 21 far 5 96 5 - 3.7-6.8 HG2 LYS 94 - HG2 MET 21 far 0 96 0 - 6.0-7.6 HB3 LEU 27 - HG2 MET 21 far 0 91 0 - 6.9-11.2 HG LEU 14 - HG2 MET 21 far 0 82 0 - 7.9-10.2 Violated in 2 structures by 0.06 A. Peak 8558 from cnoeabs.peaks (0.75, 2.94, 31.91 ppm; 3.71 A): 2 out of 7 assignments used, quality = 0.97: QD1 ILE 93 + HG2 MET 21 OK 84 88 95 100 2.8-5.1 3.1/10012=41, 10024=39...(27) QG2 ILE 93 + HG2 MET 21 OK 80 100 80 100 2.3-4.8 10012=55, 10319/3.4=48...(23) HG13 ILE 93 - HG2 MET 21 far 5 100 5 - 3.8-6.9 QD1 LEU 27 - HG2 MET 21 far 0 90 0 - 4.6-8.2 QG1 VAL 5 - HG2 MET 21 far 0 92 0 - 5.3-8.4 QD2 LEU 27 - HG2 MET 21 far 0 95 0 - 7.0-10.3 QD2 LEU 14 - HG2 MET 21 far 0 61 0 - 7.0-9.7 Violated in 4 structures by 0.07 A. Peak 8559 from cnoeabs.peaks (0.76, 2.05, 32.03 ppm; 3.75 A): 2 out of 16 assignments used, quality = 1.00: QD1 ILE 93 + HB2 MET 21 OK 97 98 100 100 2.5-4.3 4166=44, 10024/3.0=39...(25) QG2 ILE 93 + HB2 MET 21 OK 95 100 95 100 2.2-4.7 10013/1.8=51...(22) QG2 ILE 93 - HB3 LYS 94 poor 16 52 30 - 4.0-5.5 HG13 ILE 93 - HB2 MET 21 far 15 98 15 - 3.6-6.3 QD1 LEU 27 - HB2 MET 21 far 0 98 0 - 5.0-7.2 QD1 ILE 93 - HB3 LYS 94 far 0 49 0 - 5.2-6.8 HG13 ILE 93 - HB3 LYS 94 far 0 49 0 - 5.6-8.3 QG1 VAL 5 - HB2 MET 21 far 0 77 0 - 5.6-6.9 QD1 LEU 27 - HB3 LYS 94 far 0 49 0 - 6.1-7.4 QD2 LEU 57 - HB2 MET 21 far 0 59 0 - 6.7-8.5 QD2 LEU 27 - HB2 MET 21 far 0 82 0 - 7.6-9.4 QG1 VAL 5 - HB3 LYS 94 far 0 34 0 - 7.8-9.2 QD2 LEU 27 - HB3 LYS 94 far 0 37 0 - 8.2-9.7 QD2 LEU 57 - HB3 LYS 94 far 0 25 0 - 8.2-9.8 QD1 ILE 15 - HB2 MET 21 far 0 100 0 - 9.4-11.8 HG13 ILE 15 - HB2 MET 21 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 8564 from cnoeabs.peaks (1.68, 4.41, 57.01 ppm; 4.67 A): 2 out of 10 assignments used, quality = 0.95: HD3 LYS 24 + HA MET 21 OK 79 95 85 99 3.7-6.2 11063=84, 3.0/8565=50...(10) HD2 LYS 24 + HA MET 21 OK 76 96 80 99 4.5-6.0 1.8/11063=91...(10) HG3 LYS 20 - HA MET 21 far 10 100 10 - 3.7-6.6 HD3 LYS 90 - HA MET 21 far 9 95 10 - 4.5-8.3 HD3 LYS 20 - HA MET 21 far 0 100 0 - 5.9-7.9 HD2 LYS 20 - HA MET 21 far 0 100 0 - 6.1-7.9 HD2 LYS 68 - HA HIS 106 far 0 79 0 - 8.7-21.3 HB3 ARG 79 - HA HIS 106 far 0 82 0 - 9.1-18.2 HB3 ARG 91 - HA MET 21 far 0 100 0 - 9.3-10.7 HD3 LYS 68 - HA HIS 106 far 0 77 0 - 9.6-19.9 Violated in 5 structures by 0.10 A. Peak 8565 from cnoeabs.peaks (1.60, 4.41, 57.01 ppm; 4.81 A): 2 out of 10 assignments used, quality = 0.98: HG2 LYS 24 + HA MET 21 OK 98 98 100 100 3.0-5.0 3.0/11063=78...(11) HG3 LYS 90 + HA MET 21 OK 25 97 30 87 5.0-7.7 ~8561=44, ~10309=18...(15) HD3 LYS 94 - HA MET 21 far 10 100 10 - 5.6-8.5 HB2 LEU 103 - HA HIS 106 far 5 95 5 - 5.0-12.4 HD2 LYS 94 - HA MET 21 far 0 84 0 - 6.5-8.9 HG LEU 103 - HA HIS 106 far 0 93 0 - 6.8-13.2 HG2 ARG 19 - HA MET 21 far 0 98 0 - 7.1-9.5 HG LEU 27 - HA MET 21 far 0 100 0 - 7.8-8.5 HB3 LEU 29 - HA MET 21 far 0 100 0 - 7.8-8.8 HB2 ARG 79 - HA HIS 106 far 0 99 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 8566 from cnoeabs.peaks (0.75, 4.41, 57.01 ppm; 4.90 A): 2 out of 9 assignments used, quality = 1.00: QG2 ILE 93 + HA MET 21 OK 100 100 100 100 4.0-4.8 10319/954=72...(22) QD1 ILE 93 + HA MET 21 OK 84 88 95 100 4.8-6.4 11004/3.6=53...(21) HG13 ILE 93 - HA MET 21 far 0 100 0 - 6.0-8.0 QD1 LEU 27 - HA MET 21 far 0 90 0 - 6.3-7.5 QG1 VAL 5 - HA MET 21 far 0 92 0 - 7.6-8.6 QD2 LEU 27 - HA MET 21 far 0 95 0 - 8.5-9.1 QD1 LEU 64 - HA HIS 106 far 0 98 0 - 8.5-17.4 HG3 ARG 81 - HA HIS 106 far 0 98 0 - 9.2-18.2 QD2 LEU 14 - HA MET 21 far 0 61 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 8572 from cnoeabs.peaks (1.61, 3.83, 55.43 ppm; 4.11 A): 2 out of 20 assignments used, quality = 0.99: HG LEU 27 + HA ALA 22 OK 98 98 100 100 3.5-4.4 6442/8638=58...(15) HB ILE 76 + HA ALA 71 OK 34 35 100 96 2.6-4.5 4.0/9649=43, 9648=39...(18) HG3 LYS 73 - HA ALA 71 poor 11 57 20 - 4.7-7.8 HB3 LEU 29 - HA ALA 22 far 10 97 10 - 4.7-6.3 HG2 LYS 68 - HA ALA 67 far 0 41 0 - 5.5-6.8 HD3 LYS 39 - HA ALA 71 far 0 39 0 - 6.2-9.6 HG2 LYS 24 - HA ALA 22 far 0 87 0 - 6.6-8.1 HD2 LYS 66 - HA ALA 67 far 0 63 0 - 6.6-7.9 HB3 LEU 6 - HA ALA 67 far 0 33 0 - 6.9-8.6 HG3 LYS 73 - HA ALA 67 far 0 61 0 - 7.5-10.5 HG2 ARG 19 - HA ALA 22 far 0 85 0 - 7.7-9.4 HG2 LYS 68 - HA ALA 71 far 0 37 0 - 7.8-9.4 HD3 LYS 94 - HA ALA 22 far 0 98 0 - 7.8-10.0 HD3 LYS 39 - HA ALA 67 far 0 42 0 - 8.1-9.9 HG3 LYS 90 - HA ALA 22 far 0 84 0 - 8.6-10.9 HB ILE 76 - HA ALA 67 far 0 38 0 - 8.6-10.4 HB3 LEU 6 - HA ALA 71 far 0 30 0 - 8.8-10.8 HD2 LYS 94 - HA ALA 22 far 0 97 0 - 8.8-10.8 HB2 ARG 79 - HA ALA 71 far 0 58 0 - 9.2-12.3 HB2 LYS 40 - HA ALA 67 far 0 36 0 - 9.9-12.4 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 16 assignments used, quality = 1.00: QE MET 21 + HA ALA 22 OK 93 93 100 100 3.4-4.2 6351/3.0=79, 8542=39...(20) HB2 MET 21 + HA ALA 22 OK 78 79 100 99 3.8-5.5 6347/3.0=71, ~6349=36...(14) HB2 MET 74 + HA ALA 71 OK 53 53 100 99 3.2-5.6 2.9/9613=60...(12) HB3 LEU 38 + HA ALA 67 OK 41 64 95 68 3.6-6.3 ~9526=23, ~9519=12...(16) HB3 GLU 35 - HA ALA 67 far 10 65 15 - 5.0-7.4 HB3 LEU 38 - HA ALA 71 far 0 59 0 - 5.9-9.2 HB2 GLU 23 - HA ALA 22 far 0 100 0 - 6.5-6.6 HG2 GLU 28 - HA ALA 22 far 0 96 0 - 7.6-10.5 HB2 LEU 64 - HA ALA 67 far 0 39 0 - 7.9-8.1 HG3 GLU 28 - HA ALA 22 far 0 96 0 - 8.3-10.4 HB2 MET 74 - HA ALA 67 far 0 57 0 - 8.6-10.9 HB3 GLU 43 - HA ALA 71 far 0 55 0 - 8.9-10.7 HB3 GLU 62 - HA ALA 67 far 0 63 0 - 9.1-11.5 HB3 GLU 35 - HA ALA 71 far 0 61 0 - 9.2-12.1 HG3 GLU 37 - HA ALA 67 far 0 43 0 - 9.6-11.9 HB2 GLU 98 - HA ALA 22 far 0 68 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 8575 from cnoeabs.peaks (0.76, 3.83, 55.43 ppm; 3.09 A): 4 out of 26 assignments used, quality = 1.00: QG2 ILE 93 + HA ALA 22 OK 93 99 100 94 1.9-3.1 10028=36, 11002/3.0=26...(26) QD1 LEU 27 + HA ALA 22 OK 88 99 95 94 2.6-4.0 8641=33, 3.1/8636=30...(18) QD2 LEU 42 + HA ALA 71 OK 45 59 100 76 1.9-3.3 8924=33, ~10414=16...(16) QG1 VAL 78 + HA ALA 71 OK 38 56 70 97 2.4-4.6 10210/2.1=54, 10658=35...(18) QG2 VAL 78 - HA ALA 71 poor 19 31 65 93 2.6-5.5 2.1/10658=32, ~10210=29...(14) QD1 ILE 93 - HA ALA 22 far 5 99 5 - 3.7-5.1 HG13 ILE 93 - HA ALA 22 far 0 96 0 - 4.1-7.2 QG1 VAL 58 - HA ALA 67 far 0 33 0 - 4.5-5.4 QD2 LEU 27 - HA ALA 22 far 0 79 0 - 4.8-5.3 QG1 VAL 5 - HA ALA 22 far 0 73 0 - 4.8-6.3 QD2 LEU 42 - HA ALA 67 far 0 64 0 - 4.9-6.3 QG2 VAL 78 - HA ALA 67 far 0 34 0 - 5.1-7.3 QD1 LEU 64 - HA ALA 67 far 0 57 0 - 5.6-6.2 QG1 VAL 78 - HA ALA 67 far 0 61 0 - 5.6-6.9 QD1 LEU 6 - HA ALA 67 far 0 61 0 - 5.6-7.2 QD1 LEU 6 - HA ALA 71 far 0 57 0 - 5.9-7.1 QG1 VAL 54 - HA ALA 71 far 0 60 0 - 6.1-7.7 QG2 ILE 8 - HA ALA 67 far 0 46 0 - 6.3-7.5 QD2 LEU 57 - HA ALA 22 far 0 63 0 - 7.0-9.0 QG2 ILE 52 - HA ALA 71 far 0 51 0 - 7.1-9.2 QG1 VAL 54 - HA ALA 67 far 0 65 0 - 7.2-8.1 QD1 LEU 64 - HA ALA 71 far 0 53 0 - 8.4-9.6 QD2 LEU 57 - HA ALA 67 far 0 34 0 - 8.6-9.4 QG1 VAL 58 - HA ALA 71 far 0 30 0 - 8.9-10.1 QG1 VAL 54 - HA ALA 22 far 0 100 0 - 9.0-10.0 QG1 VAL 5 - HA ALA 67 far 0 41 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8576 from cnoeabs.peaks (0.93, 3.83, 55.43 ppm; 5.04 A): 1 out of 4 assignments used, quality = 0.95: QG2 VAL 5 + HA ALA 22 OK 95 96 100 100 3.7-5.1 8578/2.1=86...(14) QG1 VAL 32 - HA ALA 67 poor 6 50 60 21 5.3-6.9 10336/2.1=11...(6) QG1 VAL 32 - HA ALA 71 far 0 46 0 - 8.6-9.9 HG LEU 55 - HA ALA 22 far 0 70 0 - 8.7-10.5 Violated in 1 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 1.9-2.8 1.8/8581=44, 1275=40...(23) HB3 LEU 3 - QB ALA 22 far 0 82 0 - 6.2-7.6 QG2 THR 31 - QB ALA 22 far 0 65 0 - 6.4-7.7 HB2 LEU 6 - QB ALA 22 far 0 100 0 - 8.6-9.2 HB2 LEU 57 - QB ALA 22 far 0 93 0 - 8.7-9.7 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 4 assignments used, quality = 0.90: QG2 VAL 5 + QB ALA 22 OK 90 91 100 99 2.3-4.0 8576/2.1=59...(15) HG LEU 55 - QB ALA 22 far 0 59 0 - 7.0-8.5 QG2 VAL 83 - QB ALA 22 far 0 61 0 - 8.7-9.6 HG13 ILE 7 - QB ALA 22 far 0 71 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 8579 from cnoeabs.peaks (0.76, 1.44, 18.06 ppm; 3.19 A): 4 out of 15 assignments used, quality = 1.00: QG2 ILE 93 + QB ALA 22 OK 95 99 100 95 1.9-3.2 3.1/10327=34...(25) QD1 LEU 27 + QB ALA 22 OK 94 99 100 95 3.0-4.1 1222=32, 8641/2.1=27...(23) QD1 ILE 93 + QB ALA 22 OK 92 99 100 94 2.7-4.1 10327=53, 11004/6353=28...(25) QG1 VAL 5 + QB ALA 22 OK 35 73 60 80 3.2-4.6 2.1/8578=34...(12) HG13 ILE 93 - QB ALA 22 far 14 96 15 - 3.2-6.3 QD2 LEU 27 - QB ALA 22 far 0 79 0 - 4.3-5.1 QD2 LEU 57 - QB ALA 22 far 0 63 0 - 5.2-7.2 QG1 VAL 54 - QB ALA 22 far 0 100 0 - 6.7-7.5 QD1 LEU 6 - QB ALA 22 far 0 98 0 - 7.7-8.6 HG13 ILE 15 - QB ALA 22 far 0 100 0 - 8.1-9.7 QD1 ILE 15 - QB ALA 22 far 0 100 0 - 8.4-9.4 QG1 VAL 78 - QB ALA 22 far 0 98 0 - 9.3-11.8 QG2 VAL 78 - QB ALA 22 far 0 63 0 - 9.6-11.4 QG2 ILE 52 - QB ALA 22 far 0 92 0 - 9.8-11.5 QD2 LEU 42 - QB ALA 22 far 0 99 0 - 10.0-11.5 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 99 100 100 99 3.0-4.1 1299=45, 3.1/8577=41...(21) QD1 LEU 29 + QB ALA 22 OK 97 98 100 99 1.9-3.5 1307=47, 3.1/8577=41...(25) QD1 ILE 7 - QB ALA 22 far 0 92 0 - 6.0-7.0 QG2 VAL 54 - QB ALA 22 far 0 97 0 - 7.8-8.8 QD1 LEU 14 - QB ALA 22 far 0 63 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 8581 from cnoeabs.peaks (1.60, 1.44, 18.06 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 29 + QB ALA 22 OK 99 99 100 100 2.1-3.3 1.8/8577=68, 1283=46...(23) HG LEU 27 + QB ALA 22 OK 77 100 80 97 3.8-4.9 8572/2.1=42, 2.1/1222=29...(17) HG2 ARG 19 - QB ALA 22 far 9 92 10 - 4.5-6.1 HG2 LYS 24 - QB ALA 22 far 0 93 0 - 6.9-8.0 HB2 ARG 30 - QB ALA 22 far 0 100 0 - 7.6-8.8 HG3 LYS 90 - QB ALA 22 far 0 91 0 - 7.6-9.5 HD3 LYS 94 - QB ALA 22 far 0 100 0 - 8.3-9.9 HD2 LYS 94 - QB ALA 22 far 0 93 0 - 8.7-10.7 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 3.3-3.9 2.1/8578=72, 10193=46...(17) HB2 ARG 19 + QB ALA 22 OK 89 95 95 99 4.2-5.7 3.0/787=59, 3.0/10456=57...(14) HB2 LYS 20 - QB ALA 22 far 0 97 0 - 6.2-6.9 HB2 LYS 53 - QB ALA 22 far 0 70 0 - 9.5-11.1 HB VAL 54 - QB ALA 22 far 0 99 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 8583 from cnoeabs.peaks (2.05, 1.44, 18.06 ppm; 4.78 A): 3 out of 9 assignments used, quality = 1.00: HB2 MET 21 + QB ALA 22 OK 100 100 100 100 4.1-5.2 6347/6353=92...(18) HG12 ILE 93 + QB ALA 22 OK 98 98 100 99 3.2-5.2 2.1/10327=81, ~11004=45...(16) HB2 GLU 23 + QB ALA 22 OK 63 63 100 100 5.2-5.5 4.0/6363=73, 1.8/8584=73...(11) HG2 GLU 28 - QB ALA 22 poor 19 97 20 - 5.1-7.5 HG3 GLU 28 - QB ALA 22 far 15 97 15 - 5.2-7.5 HB3 LYS 94 - QB ALA 22 far 0 82 0 - 7.2-8.9 HB2 GLU 16 - QB ALA 22 far 0 84 0 - 8.4-9.2 HB2 GLU 98 - QB ALA 22 far 0 100 0 - 9.7-11.4 HB2 GLU 99 - QB ALA 22 far 0 100 0 - 9.7-13.4 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 4.3-5.1 6366/6363=89...(9) HB3 GLU 16 - QB ALA 22 far 0 100 0 - 8.3-9.6 HB3 GLU 95 - QB ALA 22 far 0 100 0 - 9.4-11.4 Violated in 2 structures by 0.00 A. Peak 8585 from cnoeabs.peaks (2.50, 1.44, 18.06 ppm; 5.68 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLU 23 + QB ALA 22 OK 99 99 100 100 3.7-4.4 10459=99, 1042/6363=94...(11) HG3 GLU 98 - QB ALA 22 far 0 85 0 - 9.0-10.5 HG3 GLU 95 - QB ALA 22 far 0 82 0 - 9.2-11.6 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 2.7-4.0 6468/8577=66...(15) H ILE 7 - QB ALA 22 far 0 100 0 - 7.0-8.6 H LYS 53 - QB ALA 22 far 0 96 0 - 9.3-10.5 H VAL 32 - QB ALA 22 far 0 81 0 - 9.6-10.8 H VAL 54 - QB ALA 22 far 0 61 0 - 10.0-10.9 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 4.8-5.3 8608/2.1=76...(11) H GLU 28 + QB ALA 22 OK 89 90 100 100 3.6-5.0 3.0/10452=75...(13) H LYS 20 + QB ALA 22 OK 80 81 100 100 4.8-5.4 6343/6353=71, 3.6/787=66...(12) HE ARG 30 - QB ALA 22 far 4 75 5 - 6.4-9.7 H LEU 3 - QB ALA 22 far 0 87 0 - 6.5-8.3 H GLU 99 - QB ALA 22 far 0 84 0 - 9.5-11.4 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 4.2-4.6 6345/6353=99...(16) H ALA 25 + QB ALA 22 OK 81 81 100 100 4.3-4.5 6394/2.1=72...(19) H GLU 98 - QB ALA 22 far 0 82 0 - 8.0-9.6 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 4.3-4.9 6376/6363=92...(14) 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 4.1-4.8 6376/3.6=79, 6375=78...(13) H ILE 76 + HA ALA 71 OK 58 58 100 100 3.5-4.9 9649=97, 7254/9648=58...(14) H LEU 38 - HA ALA 67 far 0 32 0 - 6.2-8.2 H LEU 38 - HA ALA 71 far 0 29 0 - 9.0-10.6 H GLU 44 - HA ALA 71 far 0 39 0 - 9.1-10.1 H ILE 76 - HA ALA 67 far 0 63 0 - 9.8-10.7 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 6 assignments used, quality = 1.00: HA MET 21 + HG2 LYS 24 OK 100 100 100 100 3.0-5.0 11063/3.0=76, 8565=71...(11) HA MET 74 + HG3 LYS 73 OK 23 94 25 99 3.8-6.6 3.0/7220=58...(19) HA MET 21 + HG3 LYS 90 OK 20 79 30 85 5.0-7.7 ~8561=42, 8565=18...(15) HA ALA 25 - HG2 LYS 24 far 5 100 5 - 3.6-6.8 HA ILE 76 - HG3 LYS 73 far 0 87 0 - 8.6-11.2 HA SER 9 - HG3 LYS 12 far 0 90 0 - 8.6-11.1 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 9 assignments used, quality = 0.99: HA VAL 32 + HG3 LYS 33 OK 92 93 100 98 3.5-3.9 10145=76, 6515/6523=70...(8) HA MET 21 + HG3 LYS 24 OK 86 99 90 97 2.5-6.0 11063/3.0=58...(10) HA GLU 48 + HG2 LYS 47 OK 34 87 40 98 3.4-6.7 3.0/6784=46...(15) HA MET 74 - HG2 LYS 73 poor 16 81 20 - 3.2-6.7 HA ALA 25 - HG3 LYS 24 far 0 99 0 - 5.4-6.6 HA SER 9 - HG3 LYS 33 far 0 94 0 - 7.2-8.8 HA ILE 76 - HG2 LYS 73 far 0 89 0 - 8.8-11.7 HA GLN 50 - HG2 LYS 47 far 0 73 0 - 9.2-12.2 HA ILE 76 - HG2 LYS 47 far 0 87 0 - 9.8-12.2 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 4.8-5.5 6419/6412=91...(9) H SER 97 - HA ALA 25 far 0 90 0 - 6.1-7.6 H GLU 23 - HA ALA 25 far 0 61 0 - 6.6-6.9 H LYS 94 - HA ALA 25 far 0 84 0 - 7.6-8.6 H PHE 96 - HA ALA 25 far 0 84 0 - 8.0-9.9 Violated in 18 structures by 0.31 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 4.0-4.3 6397/6408=83...(12) Violated in 1 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 4.2-5.3 2.1/10472=83, ~8622=73...(15) QG2 ILE 93 + HA ALA 25 OK 80 99 85 95 5.1-6.3 10320/2.1=50...(11) QD2 LEU 27 + HA ALA 25 OK 77 77 100 100 4.8-5.5 2.1/10472=83, ~8622=73...(14) QD1 ILE 93 - HA ALA 25 far 0 99 0 - 8.1-9.1 QG1 VAL 5 - HA ALA 25 far 0 71 0 - 8.7-10.5 HG13 ILE 93 - HA ALA 25 far 0 96 0 - 9.0-11.1 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: HB2 LYS 24 + HA ALA 25 OK 98 98 100 99 4.3-5.7 8623/2.1=43, ~6400=39...(18) HB3 LYS 24 + HA ALA 25 OK 97 98 100 99 4.2-5.2 6399/3.0=53, 8623/2.1=45...(18) HB3 MET 1 - HA ALA 25 far 0 81 0 - 10.0-14.8 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 7 assignments used, quality = 1.00: QD1 LEU 27 + QB ALA 25 OK 94 97 100 97 1.9-2.7 2.1/8622=48, 1223=37...(22) QG2 ILE 93 + QB ALA 25 OK 85 100 100 85 2.5-3.6 10319/8624=23, 10320=22...(19) QD2 LEU 27 + QB ALA 25 OK 77 85 95 95 3.1-3.9 2.1/8622=48, 2.1/1223=27...(18) QD1 ILE 93 - QB ALA 25 far 0 96 0 - 5.1-6.1 QG1 VAL 5 - QB ALA 25 far 0 81 0 - 5.6-7.2 HG13 ILE 93 - QB ALA 25 far 0 99 0 - 5.6-7.3 QG1 VAL 54 - QB ALA 25 far 0 100 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 8622 from cnoeabs.peaks (1.62, 1.34, 18.52 ppm; 3.39 A): 1 out of 7 assignments used, quality = 0.91: HG LEU 27 + QB ALA 25 OK 91 93 100 98 2.0-2.7 2.1/1223=35, 2.1/1215=33...(17) HG2 LYS 24 - QB ALA 25 far 4 75 5 - 3.4-6.2 HD3 LYS 94 - QB ALA 25 far 0 93 0 - 5.5-7.9 HD2 LYS 94 - QB ALA 25 far 0 100 0 - 6.1-7.5 HB3 LEU 29 - QB ALA 25 far 0 91 0 - 6.5-8.0 HG3 LYS 90 - QB ALA 25 far 0 71 0 - 7.7-10.2 HG2 ARG 19 - QB ALA 25 far 0 73 0 - 8.6-10.9 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 7 assignments used, quality = 1.00: HB3 LYS 24 + QB ALA 25 OK 98 100 100 99 3.7-5.1 4.4/6408=60, 4.0/8607=47...(18) HB2 LYS 24 + QB ALA 25 OK 94 100 95 99 3.6-5.2 4.4/6408=60, 4.0/8607=47...(18) HB3 LYS 20 - QB ALA 25 far 0 68 0 - 7.6-8.8 HB3 MET 1 - QB ALA 25 far 0 71 0 - 8.1-12.1 QE MET 1 - QB ALA 25 far 0 100 0 - 8.5-10.0 HB2 MET 1 - QB ALA 25 far 0 81 0 - 8.7-10.9 HB2 GLU 17 - QB ALA 25 far 0 81 0 - 9.6-10.8 Violated in 0 structures by 0.00 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 2.4-3.3 8551=66, 6351/8570=40...(16) HB2 GLU 23 - QB ALA 25 far 0 96 0 - 6.4-6.9 HG2 GLU 28 - QB ALA 25 far 0 61 0 - 7.7-10.4 HG3 GLU 28 - QB ALA 25 far 0 61 0 - 8.2-10.0 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 5.1-6.8 3.4/8624=95, 3.0/8554=58...(10) HB3 MET 21 + QB ALA 25 OK 86 87 100 99 4.2-5.9 4.3/8624=86, 4.6/8570=66...(8) HG3 GLU 99 - QB ALA 25 far 0 96 0 - 7.9-10.7 HB3 TYR 4 - QB ALA 25 far 0 68 0 - 9.1-10.2 HG3 MET 1 - QB ALA 25 far 0 100 0 - 9.1-12.0 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 = 1.00: HB2 LEU 27 + HA ASN 26 OK 97 99 100 98 5.0-5.4 1188/6434=78...(11) QB ALA 22 + HA ASN 26 OK 87 98 95 94 5.0-5.6 10463/10478=56...(7) Violated in 8 structures by 0.02 A. Peak 8627 from cnoeabs.peaks (1.34, 4.36, 54.31 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 25 + HA ASN 26 OK 100 100 100 100 4.6-4.9 6413/6414=89...(13) HB3 LEU 27 - HA ASN 26 far 0 100 0 - 6.0-6.2 HG LEU 3 - HA ASN 26 far 0 61 0 - 8.7-10.7 HB3 LEU 2 - HA ASN 26 far 0 100 0 - 9.1-10.9 Violated in 14 structures by 0.03 A. Peak 8628 from cnoeabs.peaks (1.34, 2.74, 36.97 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 25 + HB2 ASN 26 OK 100 100 100 100 4.6-4.7 6413/6415=89...(9) HB3 LEU 27 - HB2 ASN 26 far 0 100 0 - 6.4-7.4 HB3 LEU 2 - HB2 ASN 26 far 0 99 0 - 8.2-11.0 HG3 LYS 94 - HB2 ASN 26 far 0 59 0 - 9.1-13.1 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 5 assignments used, quality = 0.99: QD1 LEU 27 + HB2 ASN 26 OK 92 93 100 98 5.5-6.4 4.7/6435=68, ~8631=45...(9) QD2 LEU 27 + HB2 ASN 26 OK 90 92 100 98 3.5-5.2 4.7/6435=68, 8631/1.8=59...(9) QG2 ILE 93 - HB2 ASN 26 far 0 100 0 - 7.0-8.1 QG1 VAL 5 - HB2 ASN 26 far 0 88 0 - 9.8-11.9 QD1 ILE 93 - HB2 ASN 26 far 0 92 0 - 9.9-11.1 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 4 assignments used, quality = 1.00: QB ALA 25 + HB3 ASN 26 OK 100 100 100 100 4.6-5.7 6413/6416=92...(9) HB3 LEU 27 + HB3 ASN 26 OK 44 100 45 98 6.1-7.1 4.0/6436=81, 3.1/8631=53...(6) HG LEU 3 - HB3 ASN 26 far 0 61 0 - 6.9-10.2 HB3 LEU 2 - HB3 ASN 26 far 0 100 0 - 7.9-10.3 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 4 assignments used, quality = 0.90: QD2 LEU 27 + HB3 ASN 26 OK 83 85 100 97 3.1-5.2 4.7/6436=60, 10139=40...(10) QD1 LEU 27 + HB3 ASN 26 OK 43 97 45 97 5.2-6.7 4.7/6436=60...(10) QG2 ILE 93 - HB3 ASN 26 far 0 100 0 - 7.4-8.9 QG1 VAL 5 - HB3 ASN 26 far 0 81 0 - 9.8-11.7 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 = 0.98: QG2 VAL 5 + HB2 LEU 27 OK 98 100 100 98 2.7-4.5 8634/1.8=73...(10) HG LEU 55 - HB2 LEU 27 far 0 95 0 - 8.2-10.6 Violated in 1 structures by 0.01 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 97 2.1-4.4 8633/1.8=69...(11) HG LEU 55 - HB3 LEU 27 far 0 73 0 - 7.9-10.5 Violated in 1 structures by 0.01 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 2.4-3.2 8639/1.8=66...(18) HA SER 97 - HB2 LEU 27 far 0 98 0 - 5.6-7.3 HA ARG 19 - HB2 LEU 27 far 0 92 0 - 6.2-7.6 HA LYS 94 - HB2 LEU 27 far 0 65 0 - 6.7-7.8 HA2 GLY 100 - HB2 LEU 27 far 0 65 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 8639 from cnoeabs.peaks (3.83, 1.34, 44.09 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.99: HA ALA 22 + HB3 LEU 27 OK 99 99 100 100 4.0-4.9 8636/1.8=87, 8638/4.0=63...(15) HA SER 97 - HB3 LEU 27 far 5 94 5 - 5.5-6.8 HA ARG 19 - HB3 LEU 27 far 0 85 0 - 7.0-9.0 HA LYS 94 - HB3 LEU 27 far 0 75 0 - 7.6-8.9 HA2 GLY 100 - HB3 LEU 27 far 0 75 0 - 8.4-11.2 Violated in 4 structures by 0.02 A. Peak 8640 from cnoeabs.peaks (3.81, 0.73, 25.25 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: HA SER 97 + QD2 LEU 27 OK 100 100 100 100 2.8-4.0 10068=60, 8090/10136=37...(19) HA ALA 22 - QD2 LEU 27 far 0 98 0 - 4.8-5.3 HA ARG 19 - QD2 LEU 27 far 0 100 0 - 8.2-9.4 HB3 SER 102 - QD2 LEU 27 far 0 100 0 - 9.5-13.4 HA ALA 18 - QD2 LEU 27 far 0 61 0 - 9.5-10.6 Violated in 6 structures by 0.05 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 SER 97 + QD1 LEU 27 OK 99 99 100 99 2.1-3.7 8640/2.1=60...(18) HA ALA 22 + QD1 LEU 27 OK 98 100 100 98 2.6-4.0 8636/3.1=40, 8572/2.1=39...(18) HA ARG 19 - QD1 LEU 27 far 0 96 0 - 6.9-8.4 HB3 SER 102 - QD1 LEU 27 far 0 97 0 - 8.5-13.3 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 1.9-3.4 10077/2.1=40...(19) HB3 SER 97 + QD1 LEU 27 OK 87 88 100 99 2.0-3.9 8643/2.1=33, ~8640=32...(20) 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 = 0.99: HB2 SER 97 + QD2 LEU 27 OK 94 95 100 100 3.1-4.7 3.0/8640=61...(18) HB3 SER 97 + QD2 LEU 27 OK 89 94 95 100 2.2-5.2 3.0/8640=61, 10074=48...(19) Violated in 1 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 2.7-4.9 2.2/8645=82, 8646/2.1=72...(21) Violated in 3 structures by 0.04 A. Peak 8645 from cnoeabs.peaks (7.04, 0.77, 26.59 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.98: QD PHE 96 + QD1 LEU 27 OK 98 99 100 99 1.9-3.3 8647/2.1=64, 2.2/8644=57...(22) HZ PHE 96 - QD1 LEU 27 far 5 91 5 - 4.6-6.8 HZ3 TRP 92 - QD1 LEU 27 far 0 90 0 - 8.4-11.8 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 1 assignment used, quality = 0.90: QE PHE 96 + QD2 LEU 27 OK 90 100 90 100 3.6-5.3 2.2/8647=76, 8644/2.1=69...(16) Violated in 16 structures by 0.32 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 3.8-4.9 8645/2.1=77, 2.2/8646=66...(21) HZ PHE 96 - QD2 LEU 27 far 0 91 0 - 5.3-7.3 Violated in 15 structures by 0.15 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 4.6-6.2 ~8646=74, ~8644=73...(14) Violated in 12 structures by 0.15 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: QD TYR 4 + HA GLU 28 OK 99 99 100 100 4.7-5.6 14579=63, 8652/3.0=48...(16) QE TYR 4 + HA GLU 28 OK 94 100 95 99 5.5-6.5 2.2/14579=60...(13) 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 2.1-4.6 3.7/8656=42, 8653/1.8=34...(18) QE TYR 4 + HB2 GLU 28 OK 86 98 100 88 3.1-4.7 8653/1.8=33, 5.7/8656=25...(15) Violated in 2 structures by 0.02 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 2.3-3.6 3.7/8657=47, 8652/1.8=42...(17) QE TYR 4 + HB3 GLU 28 OK 94 100 100 94 3.1-3.9 8652/1.8=38, 5.7/8657=29...(17) 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 + HG3 GLU 28 OK 97 99 100 97 3.1-5.3 8652/3.0=38, 8653/3.0=35...(18) QD TYR 4 + HG2 GLU 28 OK 92 99 95 97 2.6-5.4 8652/3.0=38, 8653/3.0=35...(18) QE TYR 4 + HG2 GLU 28 OK 90 100 95 95 3.2-5.4 8653/3.0=35, 8652/3.0=34...(16) QE TYR 4 + HG3 GLU 28 OK 85 100 90 95 3.5-6.2 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 3.2-5.3 8657/1.8=76, 10366=64...(10) HA LEU 3 - HB2 GLU 28 far 0 90 0 - 6.9-8.2 HA VAL 54 - HB2 GLU 28 far 0 99 0 - 7.4-9.7 Violated in 5 structures by 0.14 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 2.6-4.0 8656/1.8=79...(10) HA LEU 3 - HB3 GLU 28 far 0 90 0 - 5.5-6.9 HA VAL 54 - HB3 GLU 28 far 0 99 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 8658 from cnoeabs.peaks (4.67, 1.56, 30.51 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.89: HA LEU 27 + HB3 GLU 28 OK 89 97 100 92 4.2-4.7 1187/1242=86, ~8661=22...(4) Violated in 0 structures by 0.00 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 + HG2 GLU 28 OK 100 100 100 100 3.9-6.2 8656/3.0=97, 8657/3.0=97...(7) HA TYR 4 + HG3 GLU 28 OK 100 100 100 100 4.4-6.5 8656/3.0=97, 8657/3.0=97...(7) HA LEU 3 - HG3 GLU 28 far 4 90 5 - 6.5-9.8 HA LEU 3 - HG2 GLU 28 far 0 90 0 - 7.7-9.2 HA VAL 54 - HG2 GLU 28 far 0 99 0 - 7.8-10.4 HA VAL 54 - HG3 GLU 28 far 0 99 0 - 8.2-10.6 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 5 assignments used, quality = 1.00: HB2 LEU 27 + HA GLU 28 OK 99 99 100 100 4.4-5.3 1195/3.0=76, ~6450=56...(16) QB ALA 22 + HA GLU 28 OK 96 98 100 98 3.2-4.7 10452=70, 8586/6462=65...(7) HG LEU 29 - HA GLU 28 far 0 98 0 - 6.4-6.6 HG2 LYS 20 - HA GLU 28 far 0 99 0 - 9.6-12.8 HG13 ILE 52 - HA GLU 28 far 0 99 0 - 9.8-11.2 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 3 assignments used, quality = 1.00: HB2 LEU 29 + HA GLU 28 OK 100 100 100 100 4.4-5.1 6468/6462=90...(6) HB3 LEU 3 - HA GLU 28 far 0 97 0 - 6.8-8.8 QG2 THR 31 - HA GLU 28 far 0 88 0 - 8.8-9.4 Violated in 1 structures by 0.00 A. Peak 8666 from cnoeabs.peaks (0.94, 5.66, 53.19 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 5 + HA LEU 29 OK 99 99 100 100 3.1-4.5 8175=99, 2.1/8173=93...(18) HG LEU 55 - HA LEU 29 far 0 82 0 - 7.5-8.9 QG1 VAL 32 - HA LEU 29 far 0 75 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 8667 from cnoeabs.peaks (0.73, 5.66, 53.19 ppm; 4.35 A): 1 out of 17 assignments used, quality = 0.99: QG1 VAL 5 + HA LEU 29 OK 99 99 100 100 3.4-4.5 8174=90, 2.1/8173=83...(18) QG1 VAL 54 - HA LEU 29 poor 16 82 20 - 4.9-5.8 QG2 ILE 93 - HA LEU 29 far 5 96 5 - 5.2-6.2 QD1 ILE 93 - HA LEU 29 far 3 68 5 - 5.1-6.4 HG13 ILE 93 - HA LEU 29 far 0 99 0 - 5.5-8.3 QD1 LEU 27 - HA LEU 29 far 0 70 0 - 5.6-6.5 QD1 LEU 6 - HA LEU 29 far 0 65 0 - 5.9-6.6 QD2 LEU 27 - HA LEU 29 far 0 100 0 - 6.4-7.5 QD1 ILE 56 - HA LEU 29 far 0 82 0 - 6.7-10.1 HG13 ILE 56 - HA LEU 29 far 0 92 0 - 7.6-11.0 QG1 VAL 78 - HA LEU 29 far 0 99 0 - 8.5-11.0 QD1 ILE 8 - HA LEU 29 far 0 85 0 - 8.6-10.4 QD2 LEU 42 - HA LEU 29 far 0 73 0 - 8.8-10.4 QG2 VAL 78 - HA LEU 29 far 0 98 0 - 9.1-11.3 HG13 ILE 15 - HA LEU 29 far 0 92 0 - 9.1-10.9 QD1 ILE 15 - HA LEU 29 far 0 85 0 - 9.5-10.3 QD2 LEU 14 - HA LEU 29 far 0 84 0 - 9.5-10.3 Violated in 1 structures by 0.01 A. Peak 8668 from cnoeabs.peaks (1.86, 5.66, 53.19 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 5 + HA LEU 29 OK 100 100 100 100 2.0-3.5 8173=100, 2.1/8667=63...(20) HB2 ARG 19 - HA LEU 29 far 0 77 0 - 5.6-8.2 HB3 LEU 57 - HA LEU 29 far 0 61 0 - 8.1-8.9 HB VAL 54 - HA LEU 29 far 0 88 0 - 8.3-9.2 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 5 assignments used, quality = 0.99: HB VAL 5 + HB2 LEU 29 OK 99 99 100 100 2.1-3.0 8191=96, 8173/2.9=83...(27) HB2 ARG 19 + HB2 LEU 29 OK 32 92 35 100 4.2-6.6 8674/3.1=58, 3.0/8512=45...(22) HB2 LYS 20 - HB2 LEU 29 far 0 95 0 - 8.8-10.3 HB3 LYS 90 - HB2 LEU 29 far 0 61 0 - 9.2-11.9 HB VAL 54 - HB2 LEU 29 far 0 98 0 - 10.0-10.9 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 4 assignments used, quality = 1.00: HB VAL 5 + HB3 LEU 29 OK 100 100 100 100 3.7-4.7 8191/1.8=97, 8173/2.9=91...(27) HB2 ARG 19 + HB3 LEU 29 OK 81 81 100 100 2.7-5.4 8674/3.1=59, ~8685=52...(25) HB2 LYS 20 - HB3 LEU 29 far 0 85 0 - 8.5-9.7 HB3 LYS 90 - HB3 LEU 29 far 0 77 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 8671 from cnoeabs.peaks (1.85, 0.65, 26.64 ppm; 3.81 A): 1 out of 7 assignments used, quality = 0.96: HB VAL 5 + QD1 LEU 29 OK 96 96 100 100 2.3-3.1 2.1/10500=68, 8192=52...(26) HB3 LEU 57 - QD1 LEU 29 far 4 90 5 - 4.6-5.6 HB3 LYS 90 - QD1 LEU 29 far 0 98 0 - 5.7-8.7 HB2 LYS 90 - QD1 LEU 29 far 0 70 0 - 5.9-8.6 HB VAL 54 - QD1 LEU 29 far 0 59 0 - 8.8-10.0 HB2 GLU 88 - QD1 LEU 29 far 0 63 0 - 9.3-10.2 HB2 LYS 12 - QD1 LEU 29 far 0 94 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 8672 from cnoeabs.peaks (1.21, 0.65, 26.64 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 18 + QD1 LEU 29 OK 92 98 100 94 1.8-2.3 12032=29, 8483/2.1=25...(22) HB2 LEU 6 - QD1 LEU 29 far 0 68 0 - 5.7-7.1 HB2 LEU 57 - QD1 LEU 29 far 0 93 0 - 5.7-6.7 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 7 assignments used, quality = 1.00: HG3 ARG 19 + QD2 LEU 29 OK 100 100 100 100 2.0-4.1 8520=54, 782/8685=49...(26) HB ILE 15 - QD2 LEU 29 far 0 75 0 - 5.1-6.3 HB2 GLU 28 - QD2 LEU 29 far 0 94 0 - 6.3-7.4 HD2 LYS 90 - QD2 LEU 29 far 0 91 0 - 7.2-10.6 HB ILE 56 - QD2 LEU 29 far 0 100 0 - 9.4-10.9 HD3 LYS 33 - QD2 LEU 29 far 0 65 0 - 9.6-11.4 HD2 LYS 33 - QD2 LEU 29 far 0 65 0 - 9.8-10.8 Violated in 5 structures by 0.06 A. Peak 8674 from cnoeabs.peaks (1.88, 0.64, 24.70 ppm; 3.53 A): 2 out of 10 assignments used, quality = 0.98: HB2 ARG 19 + QD2 LEU 29 OK 96 96 100 100 1.9-3.9 3.0/8685=53, 3.0/8673=51...(34) HB VAL 5 + QD2 LEU 29 OK 47 96 50 99 3.8-5.1 8675/2.1=39, 8191/3.1=37...(21) HB2 LYS 20 - QD2 LEU 29 far 0 98 0 - 6.8-8.4 HB3 LEU 14 - QD2 LEU 29 far 0 85 0 - 7.7-9.5 HB2 LYS 12 - QD2 LEU 29 far 0 98 0 - 8.0-9.3 HB ILE 8 - QD2 LEU 29 far 0 94 0 - 8.3-9.9 HB3 LYS 12 - QD2 LEU 29 far 0 99 0 - 9.1-10.3 HB VAL 54 - QD2 LEU 29 far 0 99 0 - 9.3-10.8 HB2 LYS 13 - QD2 LEU 29 far 0 59 0 - 9.9-11.3 HB3 LYS 13 - QD2 LEU 29 far 0 63 0 - 9.9-11.1 Violated in 2 structures by 0.01 A. Peak 8675 from cnoeabs.peaks (1.87, 1.44, 27.00 ppm; 4.33 A): 2 out of 23 assignments used, quality = 0.99: HB VAL 5 + HG LEU 29 OK 98 99 100 100 2.1-4.2 8191/3.0=60, 8173/3.6=59...(19) HB2 ARG 19 + HG LEU 29 OK 23 92 25 100 4.5-7.0 8674/2.1=59, ~8685=44...(25) HB3 LYS 66 - HG LEU 38 poor 17 70 25 - 4.9-8.6 HB3 LYS 39 - HG LEU 38 far 11 70 15 - 3.4-7.8 HB3 LYS 90 - HG3 ARG 91 far 4 40 10 - 4.4-8.4 HG LEU 42 - HG LEU 38 far 3 57 5 - 5.2-6.5 HB VAL 54 - HG13 ILE 52 far 0 63 0 - 5.4-7.9 HB2 LYS 53 - HG13 ILE 52 far 0 43 0 - 6.0-7.1 HB ILE 8 - HG LEU 38 far 0 58 0 - 6.0-9.1 HG LEU 42 - HG13 ILE 76 far 0 68 0 - 6.6-8.4 HB2 GLU 43 - HG13 ILE 76 far 0 52 0 - 6.9-8.9 HB3 LYS 68 - HG LEU 38 far 0 73 0 - 7.5-12.4 HB VAL 54 - HG13 ILE 76 far 0 80 0 - 7.7-8.8 HB VAL 54 - HG LEU 38 far 0 68 0 - 8.0-11.5 HG LEU 42 - HG13 ILE 52 far 0 52 0 - 8.2-10.7 HB3 LYS 39 - HG13 ILE 76 far 0 82 0 - 8.3-11.4 HB2 LYS 68 - HG LEU 38 far 0 44 0 - 8.5-13.1 HB3 LYS 90 - HG LEU 29 far 0 61 0 - 9.0-12.7 HB VAL 54 - HG LEU 29 far 0 98 0 - 9.3-10.6 HB2 LYS 20 - HG LEU 29 far 0 95 0 - 9.5-11.5 HB VAL 5 - HG13 ILE 52 far 0 64 0 - 9.8-11.4 HB ILE 8 - HG LEU 29 far 0 88 0 - 10.0-10.6 HB3 LEU 14 - HG LEU 29 far 0 77 0 - 10.0-11.8 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 4.2-4.7 6462/6469=99...(4) 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 2 assignments used, quality = 1.00: HA ARG 19 + HB3 LEU 29 OK 99 99 100 100 2.3-3.6 8685/3.1=76, 8512/1.8=59...(25) HA ALA 22 + HB3 LEU 29 OK 89 99 90 100 4.7-6.3 ~8577=79, 3.0/8571=71...(17) 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 4.4-5.1 6462/6468=98, 8662=97...(6) Violated in 0 structures by 0.00 A. Peak 8679 from cnoeabs.peaks (3.81, 1.16, 44.91 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 19 + HB2 LEU 29 OK 100 100 100 100 3.1-4.3 8685/3.1=90, 8512=69...(21) HA ALA 22 + HB2 LEU 29 OK 94 94 100 100 4.2-5.5 2.1/8577=91, ~8571=57...(19) HA ALA 18 - HB2 LEU 29 poor 14 71 20 - 6.0-7.0 HA SER 97 - HB2 LEU 29 far 0 99 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 8680 from cnoeabs.peaks (5.13, 5.66, 53.19 ppm; 6.27 A): 2 out of 5 assignments used, quality = 1.00: HA TYR 4 + HA LEU 29 OK 94 94 100 100 3.8-4.6 3.6/8172=97...(6) HA VAL 5 + HA LEU 29 OK 93 93 100 100 4.1-4.8 3.0/8172=100...(19) HA VAL 54 - HA LEU 29 lone 1 70 85 2 6.6-7.3 HA ILE 7 - HA LEU 29 far 0 100 0 - 7.5-8.2 HA LEU 3 - HA LEU 29 far 0 100 0 - 8.1-8.9 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 4.1-5.0 8698/6476=94...(8) 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...(7) 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 98 100 100 99 2.6-3.4 3.0/1302=58...(16) HA THR 31 + QD2 LEU 29 OK 77 81 100 95 3.8-4.4 3.0/12050=60...(8) HA ILE 56 - QD2 LEU 29 far 0 63 0 - 6.9-8.4 HA ASN 10 - QD2 LEU 29 far 0 90 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8684 from cnoeabs.peaks (5.46, 0.64, 24.70 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + QD2 LEU 29 OK 99 100 100 99 3.8-4.9 8698/1302=78...(9) Violated in 0 structures by 0.00 A. Peak 8685 from cnoeabs.peaks (3.80, 0.64, 24.70 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.98: HA ARG 19 + QD2 LEU 29 OK 98 99 100 100 1.9-2.9 8507=50, 3.0/8693=45...(32) HA ALA 18 - QD2 LEU 29 far 0 88 0 - 4.9-5.6 HA ALA 22 - QD2 LEU 29 far 0 81 0 - 5.6-6.9 Violated in 0 structures by 0.00 A. Peak 8686 from cnoeabs.peaks (3.19, 0.64, 24.70 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 19 + QD2 LEU 29 OK 99 99 100 100 2.0-5.0 3.0/8673=73, 8522=49...(21) HD2 ARG 19 + QD2 LEU 29 OK 99 99 100 100 2.3-4.8 3.0/8673=73, 8522=49...(22) HB3 TRP 92 - QD2 LEU 29 far 0 99 0 - 8.7-10.5 Violated in 0 structures by 0.00 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 3.8-5.3 8684/2.1=83...(9) Violated in 0 structures by 0.00 A. Peak 8688 from cnoeabs.peaks (3.80, 0.65, 26.64 ppm; 3.69 A): 3 out of 4 assignments used, quality = 1.00: HA ARG 19 + QD1 LEU 29 OK 98 99 100 100 2.0-2.8 8685/2.1=71, 8507=45...(31) HA ALA 18 + QD1 LEU 29 OK 86 88 100 97 3.4-4.0 2.1/8672=78, 8481=25...(16) HA ALA 22 + QD1 LEU 29 OK 59 81 75 98 4.0-5.6 2.1/1307=42, 3.0/8690=38...(17) HA SER 97 - QD1 LEU 29 far 0 94 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 8689 from cnoeabs.peaks (3.26, 0.65, 26.64 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 15 + QD1 LEU 29 OK 100 100 100 100 4.1-5.1 772/8672=94...(15) Violated in 0 structures by 0.00 A. Peak 8690 from cnoeabs.peaks (8.81, 0.65, 26.64 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: H ALA 22 + QD1 LEU 29 OK 100 100 100 100 3.0-4.3 8569/8672=66...(21) H ILE 8 - QD1 LEU 29 far 0 97 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 8691 from cnoeabs.peaks (8.90, 0.65, 26.64 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: H ARG 19 + QD1 LEU 29 OK 100 100 100 100 2.5-3.7 6283/8672=77...(27) H VAL 5 + QD1 LEU 29 OK 59 92 65 100 4.5-5.5 3.9/8671=58...(14) H LEU 57 - QD1 LEU 29 far 0 75 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 8692 from cnoeabs.peaks (8.82, 0.64, 24.70 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: H ALA 22 + QD2 LEU 29 OK 100 100 100 100 4.5-5.6 8690/2.1=85, 786/8685=77...(19) H ILE 8 - QD2 LEU 29 far 4 85 5 - 6.3-7.9 Violated in 2 structures by 0.01 A. Peak 8693 from cnoeabs.peaks (8.90, 0.64, 24.70 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: H ARG 19 + QD2 LEU 29 OK 100 100 100 100 2.8-4.0 3.0/8685=72...(29) H VAL 5 - QD2 LEU 29 far 0 96 0 - 5.3-5.8 H LEU 57 - QD2 LEU 29 far 0 84 0 - 6.4-7.9 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 2.3-2.9 8172=100, 6053/8173=60...(15) H ARG 19 - HA LEU 29 far 0 97 0 - 7.3-8.3 H LEU 57 - HA LEU 29 far 0 96 0 - 8.1-8.7 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 3.9-4.6 218/8717=88, 8698/4.0=84...(10) 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 2.7-4.2 8906=65, 8911/8717=52...(18) QD TYR 41 + HB2 ARG 30 OK 94 94 100 100 3.7-4.3 2.2/8906=59, 8700/1.8=38...(21) 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 3.2-4.8 8698/6484=87...(14) 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 4 assignments used, quality = 1.00: QD TYR 41 + HB3 ARG 30 OK 99 99 100 100 3.8-4.9 ~8906=49, ~14624=47...(21) QE TYR 41 + HB3 ARG 30 OK 93 93 100 100 3.2-5.3 8906/1.8=62, 8710/3.6=51...(18) HD21 ASN 60 - HB2 LYS 82 far 0 34 0 - 6.9-10.2 HD1 TRP 92 - HB2 LYS 82 far 0 36 0 - 8.3-12.1 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 = 0.94: HZ PHE 45 + HG2 ARG 30 OK 94 100 95 99 3.6-6.9 8707/3.0=75, 14693=66...(8) Violated in 2 structures by 0.10 A. Peak 8702 from cnoeabs.peaks (6.44, 1.29, 26.44 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.86: QD TYR 4 + HG2 ARG 30 OK 81 100 90 90 4.2-8.9 8209/8720=46...(11) QE TYR 4 + HG2 ARG 30 OK 26 99 35 75 5.8-10.2 ~8708=40, 2.2/14575=14...(9) Violated in 2 structures by 0.19 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 2.6-5.0 8906/2.9=57, 8710/3.0=55...(20) QD TYR 41 + HG2 ARG 30 OK 88 88 100 100 2.8-5.8 ~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): 3 out of 6 assignments used, quality = 1.00: QD TYR 41 + HG3 ARG 30 OK 99 99 100 100 2.8-5.8 ~8906=46, ~14624=45...(25) QE TYR 41 + HG3 ARG 30 OK 93 93 100 100 2.4-5.1 8710/3.0=62, 8906/2.9=61...(20) HD1 TRP 92 + HG LEU 57 OK 26 30 90 95 3.5-7.3 9342/2.1=81, ~9999=42...(8) HD1 TRP 92 - HG3 ARG 79 far 0 43 0 - 8.9-12.2 HE21 GLN 72 - HG3 ARG 79 far 0 65 0 - 9.0-14.5 HD1 TRP 92 - HG2 ARG 79 far 0 43 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 8705 from cnoeabs.peaks (7.02, 1.53, 26.44 ppm; 5.23 A): 2 out of 5 assignments used, quality = 0.80: QD PHE 96 + HG2 ARG 79 OK 60 69 100 88 3.2-5.4 ~10912=28, 9700/3.0=23...(15) QD PHE 96 + HG3 ARG 79 OK 50 68 85 86 2.9-6.4 ~10912=28, 9700/3.0=23...(14) QD PHE 96 - HG LEU 57 far 0 50 0 - 7.1-8.1 QD PHE 96 - HG LEU 2 far 0 51 0 - 8.7-11.2 HE ARG 91 - HG LEU 57 far 0 42 0 - 9.7-13.4 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 = 0.43: HZ PHE 45 + HD2 ARG 30 OK 43 99 45 95 4.2-7.4 8215/8722=66...(6) Violated in 16 structures by 0.88 A. Peak 8708 from cnoeabs.peaks (6.47, 2.67, 42.61 ppm; 6.08 A): 0 out of 2 assignments used, quality = 0.00: QD TYR 4 - HD2 ARG 30 poor 19 70 30 93 3.6-7.7 8209/8722=75...(8) QE TYR 4 - HD2 ARG 30 far 9 90 10 - 5.3-9.0 Violated in 18 structures by 0.68 A. Peak 8709 from cnoeabs.peaks (6.83, 2.67, 42.61 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.97: QD TYR 41 + HD2 ARG 30 OK 84 100 85 99 3.8-5.6 ~8710=40, ~8897=32...(20) QE TYR 41 + HD2 ARG 30 OK 82 87 95 99 2.1-6.0 8710/1.8=59, 8906/3.6=36...(16) Violated in 2 structures by 0.04 A. Peak 8710 from cnoeabs.peaks (6.84, 3.08, 42.61 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.94: QE TYR 41 + HD3 ARG 30 OK 91 97 95 99 2.1-6.0 8906/3.6=41, 8709/1.8=37...(16) QD TYR 41 + HD3 ARG 30 OK 29 98 30 99 3.9-6.1 8709/1.8=38, 2.2/8897=35...(19) Violated in 5 structures by 0.10 A. Peak 8716 from cnoeabs.peaks (0.81, 1.60, 32.55 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.97: QG2 VAL 32 + HB2 ARG 30 OK 87 93 100 94 3.6-4.5 8910/8906=49...(9) QG2 ILE 7 + HB2 ARG 30 OK 79 97 100 82 5.4-6.0 8256/8696=43...(6) QD2 LEU 38 - HB2 ARG 30 poor 20 99 20 - 5.9-9.1 QG2 ILE 15 - HB2 ARG 30 far 0 100 0 - 6.6-7.2 QD2 LEU 57 - HB2 ARG 30 far 0 95 0 - 7.6-9.7 QG2 ILE 8 - HB2 ARG 30 far 0 84 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 8717 from cnoeabs.peaks (0.69, 1.60, 32.55 ppm; 4.02 A): 1 out of 12 assignments used, quality = 0.99: QD2 LEU 6 + HB2 ARG 30 OK 99 100 100 100 1.9-3.1 8718/1.8=46, 8722/3.6=44...(20) QD1 LEU 29 - HB2 ARG 30 far 0 63 0 - 6.0-7.0 QG1 VAL 5 - HB2 ARG 30 far 0 65 0 - 6.2-7.5 QG2 VAL 54 - HB2 ARG 30 far 0 65 0 - 6.3-8.5 QD1 ILE 56 - HB2 ARG 30 far 0 95 0 - 6.4-9.8 QD1 ILE 8 - HB2 ARG 30 far 0 93 0 - 7.1-8.6 HG13 ILE 56 - HB2 ARG 30 far 0 87 0 - 7.5-10.6 QD1 LEU 42 - HB2 ARG 30 far 0 100 0 - 8.3-9.6 QG2 VAL 78 - HB2 ARG 30 far 0 75 0 - 8.9-11.2 QD1 ILE 52 - HB2 ARG 30 far 0 100 0 - 9.0-10.9 QG1 VAL 58 - HB2 ARG 30 far 0 77 0 - 9.3-10.2 QD2 LEU 27 - HB2 ARG 30 far 0 59 0 - 9.8-11.7 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 18 assignments used, quality = 1.00: QD2 LEU 6 + HB3 ARG 30 OK 99 100 100 99 1.9-2.7 8717/1.8=64, 8722/3.6=37...(21) QG2 VAL 58 + HB2 LYS 82 OK 59 59 100 100 1.9-3.0 9759/1.8=58...(25) QG1 VAL 58 + HB2 LYS 82 OK 24 35 70 97 4.2-5.0 ~9759=38, ~10228=31...(19) QD1 ILE 56 - HB3 ARG 30 far 0 90 0 - 5.6-10.2 QD1 LEU 29 - HB3 ARG 30 far 0 73 0 - 5.8-6.6 QG2 VAL 54 - HB3 ARG 30 far 0 75 0 - 5.9-7.6 QD1 ILE 8 - HB2 LYS 82 far 0 48 0 - 6.5-7.5 HG13 ILE 56 - HB3 ARG 30 far 0 79 0 - 7.0-10.2 QD1 ILE 8 - HB3 ARG 30 far 0 87 0 - 7.1-8.7 QD1 ILE 56 - HB2 LYS 82 far 0 50 0 - 7.6-9.4 QD2 LEU 14 - HB2 LYS 82 far 0 49 0 - 7.8-9.3 QD1 LEU 14 - HB2 LYS 82 far 0 60 0 - 8.0-9.5 QD1 LEU 42 - HB3 ARG 30 far 0 100 0 - 8.2-9.8 QD1 ILE 52 - HB3 ARG 30 far 0 99 0 - 8.4-10.2 QG2 VAL 78 - HB3 ARG 30 far 0 65 0 - 8.5-10.4 QG2 VAL 78 - HB2 LYS 82 far 0 34 0 - 8.6-12.1 HG13 ILE 56 - HB2 LYS 82 far 0 42 0 - 9.3-11.3 QG1 VAL 58 - HB3 ARG 30 far 0 68 0 - 9.6-10.9 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 21 assignments used, quality = 0.96: QD1 LEU 6 + HB3 ARG 30 OK 82 82 100 100 3.6-4.7 ~8717=71, 2.1/8718=53...(17) QG2 VAL 32 + HB3 ARG 30 OK 59 70 100 85 4.1-5.2 8716/1.8=37...(9) QG2 ILE 7 + HB3 ARG 30 OK 30 100 35 86 5.7-6.5 8256/8699=42...(6) QG1 VAL 54 + HB3 ARG 30 OK 24 65 90 42 4.7-6.5 10663/8233=23...(6) QD1 LEU 57 - HB2 LYS 82 poor 14 41 60 56 5.5-6.5 2648/9371=24...(5) QD2 LEU 38 - HB3 ARG 30 far 4 85 5 - 5.8-9.4 QD2 LEU 57 - HB2 LYS 82 far 0 62 0 - 6.1-8.6 QG2 ILE 15 - HB3 ARG 30 far 0 98 0 - 6.7-7.8 QG2 ILE 8 - HB2 LYS 82 far 0 59 0 - 7.2-8.9 QD2 LEU 57 - HB3 ARG 30 far 0 100 0 - 7.2-8.9 QD2 LEU 42 - HB3 ARG 30 far 0 75 0 - 7.3-8.8 QD1 ILE 93 - HB3 ARG 30 far 0 81 0 - 8.0-9.6 QD1 ILE 15 - HB3 ARG 30 far 0 61 0 - 8.4-9.6 QD2 LEU 38 - HB2 LYS 82 far 0 47 0 - 8.6-10.2 QD1 LEU 27 - HB3 ARG 30 far 0 79 0 - 8.9-10.9 QG2 ILE 8 - HB3 ARG 30 far 0 99 0 - 9.1-10.1 QG2 ILE 52 - HB3 ARG 30 far 0 93 0 - 9.3-11.8 QD1 LEU 57 - HB3 ARG 30 far 0 77 0 - 9.5-11.0 QD1 ILE 76 - HB3 ARG 30 far 0 100 0 - 9.6-11.0 QG2 ILE 7 - HB2 LYS 82 far 0 62 0 - 9.9-11.0 QD1 LEU 70 - HB2 LYS 82 far 0 54 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): 2 out of 9 assignments used, quality = 0.99: QD2 LEU 6 + HG2 ARG 30 OK 98 99 100 100 3.2-4.5 8717/2.9=64, 8722/3.0=55...(18) QD2 LEU 29 + HG2 ARG 30 OK 29 71 50 82 4.5-6.3 4.6/6485=46, 4.8/8665=30...(5) QD1 LEU 29 - HG2 ARG 30 far 0 90 0 - 6.3-7.8 QG2 VAL 54 - HG2 ARG 30 far 0 91 0 - 6.7-9.5 QD1 ILE 56 - HG2 ARG 30 far 0 73 0 - 7.2-12.0 QD1 ILE 52 - HG2 ARG 30 far 0 93 0 - 8.4-11.5 QD1 ILE 8 - HG2 ARG 30 far 0 70 0 - 8.9-10.7 HG13 ILE 56 - HG2 ARG 30 far 0 59 0 - 9.0-12.5 QD1 LEU 42 - HG2 ARG 30 far 0 98 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 8721 from cnoeabs.peaks (0.77, 1.29, 26.44 ppm; 5.27 A): 1 out of 15 assignments used, quality = 0.85: QD1 LEU 6 + HG2 ARG 30 OK 85 100 85 100 4.8-6.5 2.1/8720=72, ~8717=61...(20) QG1 VAL 54 - HG2 ARG 30 poor 20 100 20 - 6.0-8.4 QG2 ILE 7 - HG2 ARG 30 far 0 73 0 - 6.4-7.8 QD2 LEU 42 - HG2 ARG 30 far 0 100 0 - 8.4-10.8 QD1 ILE 15 - HG2 ARG 30 far 0 100 0 - 8.5-10.8 QD2 LEU 57 - HG2 ARG 30 far 0 79 0 - 8.7-10.7 QD1 ILE 93 - HG2 ARG 30 far 0 100 0 - 8.8-11.0 QG2 ILE 93 - HG2 ARG 30 far 0 96 0 - 8.9-10.9 QD1 LEU 27 - HG2 ARG 30 far 0 100 0 - 9.0-11.5 QD2 LEU 27 - HG2 ARG 30 far 0 63 0 - 9.1-11.8 QG1 VAL 78 - HG2 ARG 30 far 0 91 0 - 9.3-12.1 QG2 ILE 52 - HG2 ARG 30 far 0 98 0 - 9.8-14.2 HG13 ILE 93 - HG2 ARG 30 far 0 88 0 - 9.8-13.1 QD1 ILE 76 - HG2 ARG 30 far 0 70 0 - 9.9-12.8 HG13 ILE 15 - HG2 ARG 30 far 0 98 0 - 9.9-12.5 Violated in 14 structures by 0.49 A. Peak 8722 from cnoeabs.peaks (0.69, 2.67, 42.61 ppm; 4.59 A): 1 out of 10 assignments used, quality = 1.00: QD2 LEU 6 + HD2 ARG 30 OK 100 100 100 100 3.5-5.2 8717/3.6=66, 8720/3.0=48...(13) QD1 LEU 29 - HD2 ARG 30 far 0 63 0 - 6.1-8.3 QG1 VAL 5 - HD2 ARG 30 far 0 65 0 - 6.5-9.7 QG2 VAL 54 - HD2 ARG 30 far 0 65 0 - 6.8-9.9 QD1 ILE 56 - HD2 ARG 30 far 0 95 0 - 8.4-11.9 QD2 LEU 27 - HD2 ARG 30 far 0 59 0 - 8.5-12.0 QD1 ILE 8 - HD2 ARG 30 far 0 93 0 - 8.5-10.8 QD1 ILE 52 - HD2 ARG 30 far 0 100 0 - 8.6-12.0 HG13 ILE 56 - HD2 ARG 30 far 0 87 0 - 9.5-12.8 QG2 VAL 78 - HD2 ARG 30 far 0 75 0 - 9.6-13.1 Violated in 5 structures by 0.09 A. Peak 8723 from cnoeabs.peaks (0.68, 3.08, 42.61 ppm; 4.98 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 6 + HD3 ARG 30 OK 100 100 100 100 3.9-5.4 8722/1.8=86, 8717/3.6=73...(11) QD2 LEU 29 + HD3 ARG 30 OK 41 61 90 74 4.0-6.4 4.6/1365=44...(4) QD1 LEU 29 - HD3 ARG 30 far 0 82 0 - 6.3-8.4 QD1 ILE 56 - HD3 ARG 30 far 0 82 0 - 8.1-12.9 QG2 VAL 54 - HD3 ARG 30 far 0 84 0 - 8.3-10.3 QD1 ILE 8 - HD3 ARG 30 far 0 79 0 - 9.2-11.2 QD1 ILE 52 - HD3 ARG 30 far 0 97 0 - 9.8-12.0 QD1 LEU 42 - HD3 ARG 30 far 0 99 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 8724 from cnoeabs.peaks (0.79, 4.24, 69.49 ppm; 3.73 A): 3 out of 11 assignments used, quality = 1.00: QG2 ILE 7 + HB THR 31 OK 100 100 100 100 3.2-3.9 8282/2.1=81, 8255/3.0=56...(17) QG2 ILE 15 + HB THR 31 OK 94 95 100 99 3.7-4.3 10123/2.1=80...(14) QD1 ILE 15 + HB THR 31 OK 68 71 100 95 3.9-4.6 8467/2.1=49, ~10123=35...(12) QG2 VAL 32 - HB THR 31 poor 18 59 30 - 4.6-5.0 HG13 ILE 15 - HB THR 31 poor 12 61 20 - 4.0-6.4 QG2 ILE 8 - HB THR 31 far 0 100 0 - 5.8-6.9 QD2 LEU 38 - HB THR 31 far 0 77 0 - 6.7-9.1 QD1 LEU 6 - HB THR 31 far 0 90 0 - 6.9-8.1 QD2 LEU 57 - HB THR 31 far 0 100 0 - 8.2-10.3 QD1 ILE 93 - HB THR 31 far 0 88 0 - 9.2-10.4 QG1 VAL 54 - HB THR 31 far 0 75 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8725 from cnoeabs.peaks (0.64, 4.24, 69.49 ppm; 5.02 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 29 + HB THR 31 OK 99 100 100 99 5.2-5.8 8731/2.1=76...(7) QD1 ILE 7 - HB THR 31 far 9 87 10 - 5.9-6.9 QD1 LEU 29 - HB THR 31 far 0 99 0 - 7.0-7.7 QD1 LEU 14 - HB THR 31 far 0 71 0 - 9.4-10.5 Violated in 20 structures by 0.48 A. Peak 8726 from cnoeabs.peaks (1.51, 4.24, 69.49 ppm; 4.59 A): 2 out of 6 assignments used, quality = 0.84: HG3 LYS 33 + HB THR 31 OK 76 100 100 76 3.8-4.4 8315/8337=32...(5) HG2 LYS 33 + HB THR 31 OK 34 63 90 59 4.6-5.7 3.9/8729=24, 3.9/8729=22...(4) HB ILE 7 - HB THR 31 far 0 99 0 - 6.1-6.8 HG3 ARG 30 - HB THR 31 far 0 93 0 - 6.4-8.0 HG LEU 6 - HB THR 31 far 0 97 0 - 8.1-9.5 HB2 LEU 14 - HB THR 31 far 0 99 0 - 8.6-11.6 Violated in 0 structures by 0.00 A. Peak 8727 from cnoeabs.peaks (1.72, 4.24, 69.49 ppm; 5.30 A): 3 out of 7 assignments used, quality = 0.98: HG12 ILE 15 + HB THR 31 OK 90 90 100 100 3.5-4.7 2.1/8447=86, ~8467=82...(13) HD2 LYS 33 + HB THR 31 OK 75 99 85 89 5.3-6.5 3.0/8726=56, 3.0/8729=37...(5) HB ILE 15 + HB THR 31 OK 29 97 30 100 5.9-6.6 ~10123=86, 8462/2.1=74...(11) HD3 LYS 33 - HB THR 31 far 15 99 15 - 5.0-7.1 HD3 LYS 12 - HB THR 31 far 0 96 0 - 6.4-10.9 HD2 LYS 12 - HB THR 31 far 0 96 0 - 7.0-10.0 HB3 LYS 40 - HB THR 31 far 0 73 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 8728 from cnoeabs.peaks (1.94, 4.24, 69.49 ppm; 5.24 A): 1 out of 5 assignments used, quality = 0.98: HB VAL 32 + HB THR 31 OK 98 100 100 98 5.1-5.6 6509/6506=87, ~10165=57...(6) HB2 LYS 33 - HB THR 31 far 0 94 0 - 6.2-7.2 HB3 LYS 33 - HB THR 31 far 0 92 0 - 6.4-7.2 HB3 ARG 19 - HB THR 31 far 0 100 0 - 7.3-10.8 HB3 LEU 14 - HB THR 31 far 0 71 0 - 8.6-10.2 Violated in 16 structures by 0.15 A. Peak 8729 from cnoeabs.peaks (3.03, 4.24, 69.49 ppm; 5.21 A): 2 out of 4 assignments used, quality = 0.91: HE3 LYS 33 + HB THR 31 OK 73 98 90 83 3.8-7.8 3.9/8726=46, 8735/2.1=32...(6) HE2 LYS 33 + HB THR 31 OK 68 98 85 81 3.8-7.4 3.9/8726=46, 3.0/8727=26...(6) HE2 LYS 12 - HB THR 31 far 4 85 5 - 5.8-10.6 HB3 ASP 11 - HB THR 31 far 0 61 0 - 10.0-11.5 Violated in 2 structures by 0.14 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 95 99 100 96 1.8-2.0 8282=62, 2.1/8732=38...(17) QG2 ILE 15 + QG2 THR 31 OK 85 90 100 95 1.8-2.0 10123=69, 3.0/8467=34...(19) QD1 ILE 15 + QG2 THR 31 OK 74 81 100 91 2.5-3.3 8467=41, 3.0/10123=39...(14) HG13 ILE 15 + QG2 THR 31 OK 35 71 55 90 2.2-4.0 2.1/8467=44...(14) QG2 ILE 8 - QG2 THR 31 far 0 100 0 - 5.6-6.4 QD2 LEU 57 - QG2 THR 31 far 0 99 0 - 6.0-7.9 QD1 ILE 93 - QG2 THR 31 far 0 94 0 - 6.1-7.2 QD1 LEU 6 - QG2 THR 31 far 0 95 0 - 6.2-7.1 QD2 LEU 38 - QG2 THR 31 far 0 68 0 - 6.4-8.8 QG1 VAL 54 - QG2 THR 31 far 0 84 0 - 7.6-8.2 QD1 LEU 57 - QG2 THR 31 far 0 57 0 - 7.6-8.4 QG2 ILE 93 - QG2 THR 31 far 0 63 0 - 7.7-8.9 QD2 LEU 42 - QG2 THR 31 far 0 91 0 - 9.5-10.9 QD1 LEU 27 - QG2 THR 31 far 0 93 0 - 9.5-10.4 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): 2 out of 7 assignments used, quality = 0.94: QD2 LEU 29 + QG2 THR 31 OK 92 100 100 92 2.8-3.4 1297=42, 12050/6501=34...(15) QD1 ILE 7 + QG2 THR 31 OK 27 94 30 97 3.8-4.6 3.0/8282=50, 3.2/8732=40...(17) QD1 LEU 29 - QG2 THR 31 far 0 96 0 - 4.3-5.0 QG2 ILE 56 - QG2 THR 31 far 0 59 0 - 6.5-7.6 QD1 LEU 14 - QG2 THR 31 far 0 59 0 - 7.2-7.7 QG2 VAL 58 - QG2 THR 31 far 0 63 0 - 8.7-9.5 QG2 VAL 54 - QG2 THR 31 far 0 96 0 - 9.3-10.3 Violated in 6 structures by 0.01 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 3.8-4.2 2.1/8282=77, 8275=71...(14) HG3 LYS 33 - QG2 THR 31 far 0 98 0 - 4.7-5.6 HG2 LYS 33 - QG2 THR 31 far 0 73 0 - 5.6-6.7 HG3 ARG 30 - QG2 THR 31 far 0 97 0 - 5.9-6.9 HB2 LEU 14 - QG2 THR 31 far 0 100 0 - 6.4-8.3 HG LEU 6 - QG2 THR 31 far 0 99 0 - 6.7-7.9 HG LEU 57 - QG2 THR 31 far 0 96 0 - 7.5-8.8 HG12 ILE 56 - QG2 THR 31 far 0 96 0 - 8.6-11.2 HG3 LYS 13 - QG2 THR 31 far 0 93 0 - 9.2-10.2 Violated in 20 structures by 0.46 A. Peak 8733 from cnoeabs.peaks (1.72, 1.14, 22.10 ppm; 3.85 A): 2 out of 13 assignments used, quality = 1.00: HB ILE 15 + QG2 THR 31 OK 97 97 100 100 3.6-3.9 2.1/10123=89...(12) HG12 ILE 15 + QG2 THR 31 OK 89 90 100 100 1.9-2.6 2.1/8467=82...(15) HD3 LYS 12 - QG2 THR 31 far 14 96 15 - 4.6-8.5 HD2 LYS 12 - QG2 THR 31 far 0 96 0 - 5.0-7.9 HD2 LYS 33 - QG2 THR 31 far 0 99 0 - 5.8-7.2 HD3 LYS 33 - QG2 THR 31 far 0 99 0 - 5.9-7.7 HD2 LYS 20 - QG2 THR 31 far 0 61 0 - 8.0-10.5 HD2 LYS 90 - QG2 THR 31 far 0 87 0 - 8.8-12.9 HB2 GLU 28 - QG2 THR 31 far 0 82 0 - 8.9-10.5 HD2 LYS 13 - QG2 THR 31 far 0 96 0 - 8.9-11.4 HD3 LYS 90 - QG2 THR 31 far 0 93 0 - 8.9-13.2 HD3 LYS 13 - QG2 THR 31 far 0 98 0 - 9.0-11.4 HB3 LYS 40 - QG2 THR 31 far 0 73 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 8734 from cnoeabs.peaks (1.90, 1.14, 22.10 ppm; 4.40 A): 0 out of 13 assignments used, quality = 0.00: HB2 ARG 19 - QG2 THR 31 far 15 100 15 - 4.7-6.9 HB3 ARG 19 - QG2 THR 31 poor 14 70 20 - 4.2-7.0 HB2 LYS 12 - QG2 THR 31 far 0 75 0 - 6.1-7.1 HB3 LEU 14 - QG2 THR 31 far 0 100 0 - 6.3-7.7 HB2 LYS 33 - QG2 THR 31 far 0 90 0 - 6.7-8.0 HB ILE 8 - QG2 THR 31 far 0 100 0 - 6.8-7.6 HB VAL 5 - QG2 THR 31 far 0 70 0 - 6.8-7.9 HB3 LYS 33 - QG2 THR 31 far 0 92 0 - 6.8-8.0 HB3 LYS 12 - QG2 THR 31 far 0 79 0 - 7.0-7.9 HB2 LYS 13 - QG2 THR 31 far 0 91 0 - 8.9-9.9 HB3 LYS 20 - QG2 THR 31 far 0 59 0 - 9.0-10.4 HB2 LYS 20 - QG2 THR 31 far 0 100 0 - 9.2-11.4 HB3 LYS 13 - QG2 THR 31 far 0 93 0 - 9.2-9.9 Violated in 12 structures by 0.10 A. Peak 8735 from cnoeabs.peaks (3.03, 1.14, 22.10 ppm; 4.92 A): 3 out of 5 assignments used, quality = 0.85: HE3 LYS 33 + QG2 THR 31 OK 57 100 90 64 4.4-8.1 8729/2.1=36, ~8729=26...(4) HB2 SER 9 + QG2 THR 31 OK 52 65 85 94 5.2-6.9 4.0/8314=59...(9) HE2 LYS 33 + QG2 THR 31 OK 28 100 45 63 4.5-8.0 8729/2.1=33, ~8729=28...(4) HE2 LYS 12 - QG2 THR 31 poor 9 92 30 31 3.8-8.4 10392/8467=24, 10392/10123=9 HB3 ASP 11 - QG2 THR 31 far 0 71 0 - 7.6-8.8 Violated in 2 structures by 0.07 A. Peak 8742 from cnoeabs.peaks (9.11, 1.14, 22.10 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.96: H ARG 30 + QG2 THR 31 OK 96 96 100 100 4.6-5.5 4.6/6501=94, 4.6/8731=74...(8) Violated in 0 structures by 0.00 A. Peak 8746 from cnoeabs.peaks (1.17, 1.92, 34.35 ppm; 3.42 A): 3 out of 10 assignments used, quality = 1.00: QG2 THR 34 + HB3 LYS 33 OK 96 100 100 96 2.2-3.7 8757=50, 8755/2.8=48...(11) QG2 THR 34 + HB2 LYS 33 OK 96 100 100 96 2.2-3.8 8757=50, 8755/2.8=48...(10) HB2 LEU 6 + HB VAL 32 OK 28 63 45 97 3.2-6.1 10337/2.1=65, ~10160=36...(16) QG2 THR 31 - HB VAL 32 far 0 45 0 - 5.1-5.8 QG2 THR 34 - HB VAL 32 far 0 65 0 - 6.7-7.2 QG2 THR 31 - HB2 LYS 33 far 0 79 0 - 6.7-8.0 QG2 THR 31 - HB3 LYS 33 far 0 79 0 - 6.8-8.0 HB2 LEU 57 - HB VAL 32 far 0 48 0 - 8.3-9.4 HB2 LEU 6 - HB2 LYS 33 far 0 99 0 - 9.9-12.6 HB2 LEU 6 - HB3 LYS 33 far 0 99 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 8755 from cnoeabs.peaks (1.52, 1.17, 21.62 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.81: HG2 LYS 33 + QG2 THR 34 OK 81 84 100 97 3.4-4.2 10522=51, 4.9/6542=37...(10) HG3 LYS 33 - QG2 THR 34 far 14 94 15 - 4.6-5.0 HG3 LYS 66 - QG2 THR 34 far 0 79 0 - 6.9-10.9 HG2 LYS 66 - QG2 THR 34 far 0 75 0 - 8.4-12.3 Violated in 18 structures by 0.19 A. Peak 8756 from cnoeabs.peaks (1.73, 1.17, 21.62 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 33 + QG2 THR 34 OK 96 100 100 96 4.2-5.0 3.0/8755=72, 3.5/8757=37...(7) HD2 LYS 33 + QG2 THR 34 OK 92 100 95 96 4.6-5.3 3.0/8755=72, 3.5/8757=37...(7) HD3 LYS 66 - QG2 THR 34 far 0 85 0 - 8.2-12.6 HG LEU 70 - QG2 THR 34 far 0 81 0 - 8.9-11.5 HG12 ILE 15 - QG2 THR 34 far 0 71 0 - 9.5-10.7 HB3 LEU 70 - QG2 THR 34 far 0 99 0 - 9.9-11.5 Violated in 2 structures by 0.01 A. Peak 8757 from cnoeabs.peaks (1.92, 1.17, 21.62 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.99: HB2 LYS 33 + QG2 THR 34 OK 92 100 100 92 2.2-3.8 2.8/8755=42, 8746=36...(11) HB3 LYS 33 + QG2 THR 34 OK 92 100 100 92 2.2-3.7 2.8/8755=42, 8746=36...(11) HB VAL 32 - QG2 THR 34 far 0 92 0 - 6.7-7.2 HB ILE 8 - QG2 THR 34 far 0 85 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 8758 from cnoeabs.peaks (2.11, 1.17, 21.62 ppm; 4.46 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLU 37 + QG2 THR 34 OK 100 100 100 100 3.0-3.9 1.8/8759=71, 8848=59...(12) HB3 GLU 37 - QG2 THR 34 far 0 98 0 - 5.4-6.2 HB3 GLU 35 - QG2 THR 34 far 0 71 0 - 6.1-6.8 HB3 GLU 62 - QG2 THR 34 far 0 85 0 - 8.3-13.9 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 3.1-4.5 8843=86, 1.8/8758=85...(7) HG2 GLU 63 - QG2 THR 34 far 0 70 0 - 7.3-10.7 HG2 GLU 62 - QG2 THR 34 far 0 100 0 - 7.7-12.0 HG3 GLU 62 - QG2 THR 34 far 0 100 0 - 8.7-12.8 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: HB2 ASP 36 + QG2 THR 34 OK 93 95 100 98 3.8-5.4 3.6/8782=67, 4.0/8830=55...(9) HB3 ASP 36 + QG2 THR 34 OK 89 96 95 98 3.9-5.7 3.6/8782=67, 4.0/8830=55...(9) HG3 GLU 63 - QG2 THR 34 far 0 100 0 - 7.2-10.0 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 5 assignments used, quality = 0.95: HE2 LYS 33 + QG2 THR 34 OK 88 99 90 98 3.0-6.3 3.9/8755=81, 3.0/8756=44...(6) HE3 LYS 33 + QG2 THR 34 OK 59 99 60 98 3.4-6.6 3.9/8755=81, 3.0/8756=44...(6) HB3 ASN 60 - QG2 THR 34 far 0 79 0 - 8.9-12.8 HB2 SER 9 - QG2 THR 34 far 0 61 0 - 9.4-11.0 HE2 LYS 12 - QG2 THR 34 far 0 90 0 - 9.8-14.5 Violated in 9 structures by 0.02 A. Peak 8765 from cnoeabs.peaks (3.88, 1.17, 21.62 ppm; 6.30 A): 1 out of 5 assignments used, quality = 0.99: HA GLU 35 + QG2 THR 34 OK 99 99 100 100 5.6-5.7 3.0/6548=99, 3.6/8782=95...(11) HA GLU 63 - QG2 THR 34 far 0 63 0 - 7.2-10.5 HA LEU 38 - QG2 THR 34 far 0 100 0 - 7.7-8.3 HA ALA 67 - QG2 THR 34 far 0 88 0 - 9.2-11.1 HA LYS 40 - QG2 THR 34 far 0 98 0 - 9.5-10.2 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 4.2-4.5 8830=100, 8822/2.1=88...(13) 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 4.0-4.3 8782=99, 8794/2.1=94...(9) Violated in 0 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 3.6-4.1 8745=95, 6530/6542=83...(15) 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 2 assignments used, quality = 1.00: HB THR 34 + HA GLU 35 OK 100 100 100 100 4.8-5.1 6547/3.0=98, 8794/3.6=90...(10) HA ILE 8 - HA GLU 35 far 0 94 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 8783 from cnoeabs.peaks (1.66, 4.29, 56.96 ppm; 3.57 A): 3 out of 13 assignments used, quality = 0.73: HD3 LYS 68 + HA ASP 65 OK 39 46 90 96 2.1-6.4 10563=35, 1.8/10563=32...(23) HD2 LYS 68 + HA ASP 65 OK 38 46 85 96 2.0-5.9 10563=34, 1.8/10563=32...(23) HG2 LYS 68 + HA ASP 65 OK 29 40 75 97 1.8-4.9 7111/7100=38, 10268=27...(22) HD2 LYS 39 - HA ASP 36 far 10 100 10 - 3.7-7.1 HB2 LYS 40 - HA ASP 36 far 10 96 10 - 4.3-5.7 HD3 LYS 39 - HA ASP 36 far 5 92 5 - 3.8-6.6 HB3 LYS 40 - HA ASP 36 far 0 90 0 - 4.6-6.7 HG LEU 70 - HA ASP 36 far 0 63 0 - 5.7-9.1 HG LEU 70 - HA ASP 65 far 0 24 0 - 7.5-8.9 HD3 LYS 73 - HA ASP 36 far 0 100 0 - 7.8-14.2 HD3 LYS 73 - HA ASP 65 far 0 48 0 - 9.1-13.2 HD2 LYS 73 - HA ASP 36 far 0 100 0 - 9.1-14.7 HD2 LYS 73 - HA ASP 65 far 0 47 0 - 9.5-13.0 Violated in 3 structures by 0.08 A. Peak 8788 from cnoeabs.peaks (2.87, 4.29, 56.96 ppm; 4.42 A): 3 out of 10 assignments used, quality = 0.83: HE3 LYS 39 + HA ASP 36 OK 58 100 60 96 2.8-7.1 10564=54, 4.9/10537=48...(11) HE2 LYS 39 + HA ASP 36 OK 48 100 50 96 3.6-7.8 4.9/10537=48, 10564=46...(10) HE3 LYS 68 + HA ASP 65 OK 20 26 80 98 2.0-6.8 3.6/10268=42...(19) HE2 LYS 68 - HA ASP 65 poor 19 24 80 - 2.0-6.8 HE3 LYS 66 - HA ASP 65 far 0 33 0 - 5.4-8.6 HE2 LYS 66 - HA ASP 65 far 0 38 0 - 6.4-8.5 HE3 LYS 82 - HA ASP 65 far 0 41 0 - 7.2-11.4 HE2 LYS 66 - HA ASP 36 far 0 90 0 - 7.8-14.1 HE3 LYS 66 - HA ASP 36 far 0 81 0 - 8.3-13.9 HB2 ASN 60 - HA ASP 65 far 0 40 0 - 9.0-10.5 Violated in 3 structures by 0.04 A. Peak 8789 from cnoeabs.peaks (2.10, 2.50, 40.21 ppm; 3.75 A): 3 out of 23 assignments used, quality = 0.78: HG3 GLU 37 + HB3 ASP 36 OK 55 100 70 79 3.0-5.3 1608/4.0=41...(9) HG3 GLU 37 + HB2 ASP 36 OK 35 100 45 77 3.2-5.5 1608/4.0=41, 6559/3.6=17...(9) HB3 GLU 62 + HB2 ASP 61 OK 25 86 40 73 4.1-6.1 7007/4.4=44, ~10743=21...(8) HG2 GLU 88 - HB2 ASP 87 poor 15 59 25 - 3.2-6.2 HG2 GLU 88 - HB3 ASP 87 poor 12 59 20 - 3.4-7.1 HB3 GLU 88 - HB2 ASP 87 far 4 73 5 - 4.3-7.4 HB2 LEU 64 - HB2 ASP 61 far 0 93 0 - 4.8-5.9 HB3 GLU 88 - HB3 ASP 87 far 0 73 0 - 4.9-7.5 HB3 PRO 86 - HB2 ASP 87 far 0 96 0 - 5.0-6.4 HB3 PRO 86 - HB3 ASP 87 far 0 96 0 - 5.0-7.4 HB3 GLU 37 - HB3 ASP 36 far 0 92 0 - 5.3-7.5 HB2 PRO 86 - HB2 ASP 87 far 0 91 0 - 5.3-7.4 HB3 GLU 37 - HB2 ASP 36 far 0 92 0 - 5.4-7.5 HB3 GLU 35 - HB3 ASP 36 far 0 85 0 - 6.0-7.5 HB3 GLU 35 - HB2 ASP 36 far 0 85 0 - 6.0-7.0 HB2 PRO 86 - HB3 ASP 87 far 0 91 0 - 6.1-7.5 HB VAL 83 - HB2 ASP 87 far 0 95 0 - 6.5-8.0 HB VAL 83 - HB3 ASP 87 far 0 95 0 - 6.6-8.4 HB3 LEU 38 - HB2 ASP 36 far 0 71 0 - 6.7-9.2 HB3 LEU 38 - HB3 ASP 36 far 0 71 0 - 6.7-8.8 QE MET 21 - HB3 ASP 87 far 0 95 0 - 8.4-10.1 QE MET 21 - HB2 ASP 87 far 0 95 0 - 9.4-11.0 HG2 GLU 69 - HB2 ASP 61 far 0 81 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 8790 from cnoeabs.peaks (1.81, 2.50, 40.21 ppm; 4.58 A): 3 out of 13 assignments used, quality = 0.78: HB2 GLU 88 + HB2 ASP 87 OK 59 96 65 95 4.7-6.4 7393/4.6=59, 9901/4.0=47...(10) HB2 LYS 90 + HB3 ASP 87 OK 28 96 30 97 4.8-7.0 9908/3.0=62, ~9910=35...(10) HB2 LYS 39 + HB2 ASP 36 OK 24 99 25 98 5.1-6.6 10537/3.0=79...(13) HB2 LYS 39 - HB3 ASP 36 poor 20 98 20 - 4.7-6.6 HB3 LYS 90 - HB3 ASP 87 far 8 78 10 - 5.0-7.8 HB2 GLU 88 - HB3 ASP 87 far 5 96 5 - 4.8-6.4 HB2 LYS 90 - HB2 ASP 87 far 5 96 5 - 5.3-7.9 HB3 LYS 90 - HB2 ASP 87 far 0 78 0 - 5.7-7.9 HB3 GLU 63 - HB2 ASP 61 far 0 66 0 - 6.7-7.6 HB2 LEU 42 - HB3 ASP 36 far 0 100 0 - 9.3-10.8 HB2 LYS 68 - HB2 ASP 61 far 0 70 0 - 9.8-12.6 HB2 LEU 42 - HB2 ASP 36 far 0 100 0 - 9.9-10.8 HB ILE 93 - HB3 ASP 87 far 0 95 0 - 9.9-11.1 Violated in 13 structures by 0.18 A. Peak 8791 from cnoeabs.peaks (1.66, 2.50, 40.21 ppm; 5.09 A): 8 out of 23 assignments used, quality = 0.99: HD3 LYS 90 + HB2 ASP 87 OK 55 61 90 100 4.1-8.3 ~10316=52, ~9910=44...(16) HB2 LYS 40 + HB3 ASP 36 OK 53 96 75 74 4.0-6.5 1782/8833=31...(5) HD3 LYS 90 + HB3 ASP 87 OK 52 61 85 100 3.9-8.0 ~10316=52, ~9910=44...(18) HB3 ARG 91 + HB3 ASP 87 OK 47 84 75 75 4.4-6.6 1.8/4031=25, 3.9/8797=24...(10) HG2 PRO 86 + HB2 ASP 87 OK 41 68 70 86 3.9-7.1 ~10967=53, 7379/4.0=30...(8) HB2 LYS 40 + HB2 ASP 36 OK 29 96 45 68 5.0-7.0 1782/8833=30...(5) HB3 ARG 91 + HB2 ASP 87 OK 26 84 40 76 4.2-8.0 ~4031=21, 10313/3.0=17...(11) HB3 LYS 40 + HB3 ASP 36 OK 24 89 50 54 4.8-7.9 8828/4.0=30...(3) HG2 PRO 86 - HB3 ASP 87 poor 20 68 35 82 5.2-7.1 ~10967=53, 7379/4.0=30...(7) HB3 LYS 40 - HB2 ASP 36 poor 14 90 30 52 5.3-7.9 8828/4.0=30...(3) HD2 LYS 39 - HB2 ASP 36 far 5 100 5 - 5.4-9.9 HD2 LYS 39 - HB3 ASP 36 far 5 100 5 - 5.5-9.6 HD3 LYS 39 - HB2 ASP 36 far 5 92 5 - 5.7-9.5 HD3 LYS 39 - HB3 ASP 36 far 5 92 5 - 5.9-9.5 HD2 LYS 68 - HB2 ASP 61 far 0 92 0 - 7.6-13.0 HG LEU 70 - HB2 ASP 36 far 0 63 0 - 7.6-11.0 HG LEU 70 - HB3 ASP 36 far 0 63 0 - 8.0-11.5 HD2 LYS 94 - HB2 ASP 87 far 0 57 0 - 8.5-12.2 HG2 LYS 68 - HB2 ASP 61 far 0 84 0 - 8.5-11.8 HD3 LYS 68 - HB2 ASP 61 far 0 92 0 - 8.5-12.9 HD2 LYS 94 - HB3 ASP 87 far 0 57 0 - 8.7-10.7 HD3 LYS 73 - HB2 ASP 36 far 0 100 0 - 9.8-16.8 HD2 LYS 13 - HB2 ASP 87 far 0 53 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 8792 from cnoeabs.peaks (1.46, 2.50, 40.21 ppm; 4.91 A): 4 out of 22 assignments used, quality = 0.78: HD2 LYS 82 + HB2 ASP 61 OK 41 94 45 97 4.9-6.5 9766/3.0=68...(7) HB2 ARG 91 + HB3 ASP 87 OK 36 80 60 75 4.4-7.3 4031=23, 3.9/8797=23...(10) HG3 ARG 91 + HB3 ASP 87 OK 25 94 40 68 3.2-8.3 2.8/4031=20, 4.8/8797=19...(10) HG3 ARG 91 + HB2 ASP 87 OK 24 94 40 63 4.5-9.1 4059/1.8=17, ~4031=16...(10) HD3 LYS 40 - HB3 ASP 36 poor 20 100 20 - 4.5-8.7 HB2 ARG 91 - HB2 ASP 87 poor 17 80 30 70 4.4-8.0 4031/1.8=21, ~10315=15...(10) HD2 LYS 40 - HB3 ASP 36 far 15 100 15 - 5.0-8.3 HD3 LYS 40 - HB2 ASP 36 far 15 100 15 - 5.4-8.1 HD2 LYS 40 - HB2 ASP 36 far 5 100 5 - 5.7-9.1 HG LEU 38 - HB3 ASP 36 far 0 100 0 - 5.9-9.8 HG LEU 64 - HB2 ASP 61 far 0 85 0 - 5.9-7.3 HG3 LYS 39 - HB3 ASP 36 far 0 91 0 - 6.0-9.3 HG LEU 38 - HB2 ASP 36 far 0 100 0 - 6.4-9.7 HB3 LEU 64 - HB2 ASP 61 far 0 71 0 - 6.4-7.5 HG3 LYS 39 - HB2 ASP 36 far 0 91 0 - 6.5-8.9 HB2 LEU 38 - HB2 ASP 36 far 0 100 0 - 6.6-9.2 HB2 LEU 38 - HB3 ASP 36 far 0 100 0 - 6.6-9.4 HG2 LYS 66 - HB2 ASP 61 far 0 70 0 - 7.7-11.5 HG3 LYS 66 - HB2 ASP 36 far 0 75 0 - 8.2-12.8 HG3 LYS 66 - HB2 ASP 61 far 0 66 0 - 8.9-12.1 HG3 LYS 66 - HB3 ASP 36 far 0 75 0 - 9.3-13.7 HG2 LYS 66 - HB2 ASP 36 far 0 79 0 - 9.8-14.3 Violated in 6 structures by 0.05 A. Peak 8793 from cnoeabs.peaks (1.17, 2.50, 40.21 ppm; 5.48 A): 2 out of 5 assignments used, quality = 1.00: QG2 THR 34 + HB3 ASP 36 OK 99 99 100 100 3.9-5.7 8782/3.6=81, 8830/4.0=71...(9) QG2 THR 34 + HB2 ASP 36 OK 99 99 100 100 3.8-5.4 8782/3.6=81, 8830/4.0=71...(9) HG2 LYS 40 - HB3 ASP 36 far 0 99 0 - 6.7-9.0 HG3 LYS 82 - HB2 ASP 61 far 0 70 0 - 7.2-8.6 HG2 LYS 40 - HB2 ASP 36 far 0 99 0 - 7.6-9.3 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 4 assignments used, quality = 0.99: H GLU 88 + HB2 ASP 87 OK 92 95 100 97 2.5-4.0 7390=53, 7386/4.0=41...(16) H GLU 88 + HB3 ASP 87 OK 90 95 100 95 2.7-4.3 7391=46, 7391/1.8=43...(14) H LEU 38 - HB2 ASP 36 far 0 59 0 - 4.9-6.5 H LEU 38 - HB3 ASP 36 far 0 59 0 - 5.0-6.5 Violated in 0 structures by 0.00 A. Peak 8797 from cnoeabs.peaks (7.45, 2.51, 40.21 ppm; 4.73 A): 3 out of 4 assignments used, quality = 0.92: H ALA 89 + HB2 ASP 87 OK 65 77 85 98 4.9-6.0 7397/4.6=57, 9924/3.0=53...(10) H ARG 91 + HB3 ASP 87 OK 64 84 85 89 4.9-6.1 9963/3.0=59...(11) H ALA 89 + HB3 ASP 87 OK 38 77 50 98 4.9-6.6 7397/4.6=57, 9924/3.0=53...(9) H ARG 91 - HB2 ASP 87 far 8 84 10 - 5.0-6.3 Violated in 2 structures by 0.03 A. Peak 8798 from cnoeabs.peaks (8.39, 2.51, 40.21 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.95: H GLU 62 + HB2 ASP 61 OK 90 90 100 100 2.6-3.7 4.4=100 H GLU 63 + HB2 ASP 61 OK 49 93 60 88 4.9-6.0 9456/3.0=47, 4.5/7003=41...(7) H ILE 93 - HB3 ASP 87 far 0 71 0 - 8.9-10.3 H ILE 93 - HB2 ASP 87 far 0 71 0 - 9.4-10.5 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 1 assignment used, quality = 0.94: H ASP 61 + HB2 ASP 61 OK 94 94 100 100 2.1-3.6 4.0=100 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 4.6-5.4 6556/3.6=88, 8803/4.0=60...(11) H GLU 35 + HB3 ASP 36 OK 99 100 100 99 4.4-6.2 6556/3.6=88, 8803/4.0=60...(10) H THR 84 - HB2 ASP 87 far 0 80 0 - 7.1-9.2 H THR 84 - HB3 ASP 87 far 0 80 0 - 7.5-9.7 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): 2 out of 11 assignments used, quality = 0.60: HG3 LYS 39 + HA ASP 36 OK 45 100 45 100 4.0-6.6 3.0/10537=79...(13) HG LEU 64 + HA ASP 65 OK 27 27 100 100 2.9-3.2 ~7052=47, ~2841=45...(29) HG LEU 38 - HA ASP 36 poor 20 98 25 81 4.2-8.2 5.3/10541=36...(10) HB2 LEU 38 - HA ASP 36 far 10 99 10 - 5.0-7.4 HD3 LYS 40 - HA ASP 36 far 5 93 5 - 5.1-8.5 HD2 LYS 40 - HA ASP 36 far 0 94 0 - 6.0-8.5 QB ALA 71 - HA ASP 65 far 0 25 0 - 7.1-8.0 HG LEU 38 - HA ASP 65 far 0 44 0 - 8.4-13.0 HD2 LYS 82 - HA ASP 65 far 0 44 0 - 9.0-10.1 QB ALA 71 - HA ASP 36 far 0 65 0 - 9.3-11.2 HB2 LEU 38 - HA ASP 65 far 0 46 0 - 9.8-12.5 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 5.0-5.7 8752/3.0=93, 8810/3.0=87...(9) Violated in 14 structures by 0.12 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 3.7-4.8 14619/8935=53...(24) QE TYR 41 + HA GLU 37 OK 85 85 100 100 3.6-4.9 8813/1602=73...(21) 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 2.7-3.5 8752=98, 8810/1.8=76...(12) Violated in 0 structures by 0.00 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 3.0-4.3 8815/3.0=68, 8813/3.0=66...(16) QD TYR 41 + HB2 GLU 37 OK 95 95 100 100 3.6-4.8 14619/8836=45, ~8815=43...(21) 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 3.9-4.8 8752/1.8=89...(13) Violated in 19 structures by 0.33 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 2.9-4.3 14619/8839=55, ~8815=52...(26) QE TYR 41 + HB3 GLU 37 OK 96 96 100 100 2.0-3.2 8813/3.0=78, 8815/3.0=75...(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 1 assignment used, quality = 1.00: H THR 34 + HG2 GLU 37 OK 100 100 100 100 1.9-4.2 8754=99, 8752/3.0=87...(13) Violated in 0 structures by 0.00 A. Peak 8813 from cnoeabs.peaks (6.83, 2.26, 36.95 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.91: QE TYR 41 + HG2 GLU 37 OK 91 92 100 99 3.8-5.0 8815/1.8=71...(19) QD TYR 41 - HG2 GLU 37 far 15 100 15 - 5.2-6.6 HD21 ASN 60 - HG2 GLU 62 far 0 39 0 - 5.4-9.5 HD21 ASN 60 - HG3 GLU 62 far 0 39 0 - 6.1-9.4 Violated in 11 structures by 0.16 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 1.9-3.1 8754/1.8=85, 8752/3.0=81...(15) Violated in 0 structures by 0.00 A. Peak 8815 from cnoeabs.peaks (6.85, 2.11, 36.95 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.60: QE TYR 41 + HG3 GLU 37 OK 60 100 60 99 4.8-6.0 8813/1.8=70...(18) QD TYR 41 - HG3 GLU 37 far 0 88 0 - 5.6-6.7 Violated in 20 structures by 0.83 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 2.7-3.9 8817/1.8=77...(15) 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 1 assignment used, quality = 0.99: H LYS 33 + HG2 GLU 37 OK 99 99 100 100 1.9-4.4 8748=88, 8816/1.8=82...(13) 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 2 assignments used, quality = 0.96: H LYS 33 + HB3 GLU 37 OK 96 96 100 100 3.2-4.2 8819/1.8=83...(14) H LEU 6 - HB3 GLU 37 far 0 100 0 - 9.9-11.0 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 2 assignments used, quality = 0.96: H LYS 33 + HB2 GLU 37 OK 96 96 100 100 2.6-3.4 6530/8752=81...(12) H LEU 6 - HB2 GLU 37 far 0 100 0 - 9.7-10.8 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 2.5-3.3 3.2/8836=78...(21) Violated in 0 structures by 0.00 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 2.6-3.4 8823/1.8=89, 3.2/8839=84...(23) Violated in 0 structures by 0.00 A. Peak 8826 from cnoeabs.peaks (4.42, 2.26, 36.95 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 32 + HG2 GLU 37 OK 99 99 100 100 2.6-4.8 8827/1.8=85...(19) HA SER 9 - HG2 GLU 62 far 0 70 0 - 9.3-13.6 Violated in 0 structures by 0.00 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 3.9-4.7 3.2/8849=78...(21) Violated in 0 structures by 0.00 A. Peak 8833 from cnoeabs.peaks (2.50, 3.71, 58.70 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASP 36 + HA GLU 37 OK 99 100 100 99 4.0-5.7 6569/3.0=46, 3.6/8795=46...(15) HB2 ASP 36 + HA GLU 37 OK 93 100 95 98 4.0-5.7 3.6/8795=46, 6569/3.0=44...(15) HB2 ASP 87 - HA LEU 14 far 0 45 0 - 7.9-9.7 HB3 ASP 87 - HA LEU 14 far 0 45 0 - 8.2-9.7 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 2.4-6.0 4.8/1794=68, 4.8/1782=67...(14) HE2 LYS 40 + HA GLU 37 OK 99 100 100 100 3.6-6.1 4.8/1794=68, 4.8/1782=67...(14) HE2 LYS 90 - HA LEU 14 poor 5 24 20 - 4.0-9.3 Violated in 0 structures by 0.00 A. Peak 8835 from cnoeabs.peaks (1.17, 3.71, 58.70 ppm; 4.77 A): 1 out of 6 assignments used, quality = 0.96: HG2 LYS 40 + HA GLU 37 OK 96 96 100 100 4.4-5.2 2.9/1794=85, 2.9/1782=83...(18) QG2 THR 34 - HA GLU 37 far 10 100 10 - 5.6-6.6 QG2 THR 31 - HA LEU 14 far 0 26 0 - 7.4-8.0 HB2 LEU 6 - HA GLU 37 far 0 100 0 - 7.8-9.6 HB2 LEU 57 - HA LEU 14 far 0 36 0 - 7.8-9.1 QG2 THR 31 - HA GLU 37 far 0 71 0 - 8.9-9.6 Violated in 8 structures by 0.07 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 1.9-2.0 8839/1.8=69...(24) HG13 ILE 8 - HB2 GLU 37 far 0 96 0 - 5.1-7.4 Violated in 0 structures by 0.00 A. Peak 8837 from cnoeabs.peaks (0.79, 1.98, 30.20 ppm; 4.14 A): 1 out of 11 assignments used, quality = 0.59: QD2 LEU 38 + HB2 GLU 37 OK 59 73 100 80 4.1-4.3 4.5/6581=48, 8840/1.8=24...(11) QD1 LEU 6 - HB2 GLU 37 far 5 92 5 - 4.9-6.6 QG2 ILE 8 - HB2 GLU 37 far 0 100 0 - 5.4-6.3 QD1 LEU 70 - HB2 GLU 37 far 0 85 0 - 5.9-8.1 QD2 LEU 70 - HB2 GLU 37 far 0 95 0 - 7.0-9.3 QG2 ILE 7 - HB2 GLU 37 far 0 99 0 - 7.4-7.9 QD2 LEU 42 - HB2 GLU 37 far 0 87 0 - 8.3-8.9 QG1 VAL 54 - HB2 GLU 37 far 0 79 0 - 8.4-9.2 QD1 ILE 15 - HB2 GLU 37 far 0 75 0 - 8.7-9.6 QG2 ILE 15 - HB2 GLU 37 far 0 93 0 - 9.3-10.2 QD2 LEU 57 - HB2 GLU 37 far 0 100 0 - 9.9-11.6 Violated in 17 structures by 0.06 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 5.4-6.2 6542/8810=91...(6) HG2 LYS 40 + HB3 GLU 37 OK 79 99 80 100 5.8-7.1 8835/3.0=85, ~1794=62...(19) HB2 LEU 6 - HB3 GLU 37 poor 20 99 20 - 6.3-8.6 QG2 THR 31 - HB3 GLU 37 far 0 81 0 - 7.0-7.6 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 2.8-3.4 8836/1.8=80...(25) HG13 ILE 8 - HB3 GLU 37 far 0 96 0 - 6.2-8.8 Violated in 0 structures by 0.00 A. Peak 8840 from cnoeabs.peaks (0.81, 2.13, 30.20 ppm; 4.91 A): 2 out of 8 assignments used, quality = 0.99: QD2 LEU 38 + HB3 GLU 37 OK 94 96 100 98 4.9-5.7 8837/1.8=85, 4.5/1600=59...(12) QG2 VAL 32 + HB3 GLU 37 OK 85 85 100 100 2.2-3.7 2.1/8839=93, ~8836=73...(24) QD1 LEU 6 - HB3 GLU 37 poor 19 65 75 39 4.8-6.4 8869/8880=25...(4) QG2 ILE 8 - HB3 GLU 37 far 0 92 0 - 6.6-7.5 QD1 LEU 70 - HB3 GLU 37 far 0 99 0 - 7.1-8.9 QG2 ILE 7 - HB3 GLU 37 far 0 99 0 - 7.3-8.2 QD2 LEU 70 - HB3 GLU 37 far 0 100 0 - 7.9-10.3 QG2 ILE 15 - HB3 GLU 37 far 0 100 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 8841 from cnoeabs.peaks (1.68, 2.26, 36.95 ppm; 4.91 A): 3 out of 16 assignments used, quality = 0.60: HD3 LYS 66 + HG2 GLU 62 OK 30 60 55 91 2.4-7.4 1.8/12290=35...(13) HD3 LYS 66 + HG3 GLU 62 OK 24 60 45 91 2.0-7.7 1.8/12290=32, ~12300=30...(13) HB2 LYS 40 + HG2 GLU 37 OK 24 70 35 99 4.6-7.4 8846/1.8=81...(10) HB3 LYS 40 - HG2 GLU 37 far 10 100 10 - 4.9-7.6 HB3 LEU 6 - HG2 GLU 37 far 0 73 0 - 7.8-11.2 HG2 LYS 68 - HG2 GLU 62 far 0 37 0 - 7.9-12.3 HG2 LYS 68 - HG3 GLU 62 far 0 37 0 - 8.1-12.2 HD3 LYS 68 - HG3 GLU 62 far 0 50 0 - 8.1-13.4 HG LEU 70 - HG3 GLU 62 far 0 63 0 - 8.1-11.4 HD2 LYS 68 - HG2 GLU 62 far 0 51 0 - 8.4-13.1 HG LEU 70 - HG2 GLU 62 far 0 63 0 - 8.5-10.8 HD2 LYS 68 - HG3 GLU 62 far 0 51 0 - 8.6-13.0 HD3 LYS 68 - HG2 GLU 62 far 0 50 0 - 9.5-13.2 HG12 ILE 15 - HG2 GLU 37 far 0 98 0 - 9.5-12.1 HB3 LEU 70 - HG2 GLU 62 far 0 41 0 - 9.7-13.0 HB3 LEU 70 - HG3 GLU 62 far 0 41 0 - 9.7-14.1 Violated in 7 structures by 0.08 A. Peak 8842 from cnoeabs.peaks (1.46, 2.26, 36.95 ppm; 4.80 A): 5 out of 19 assignments used, quality = 0.92: HG2 LYS 66 + HG2 GLU 62 OK 44 52 90 93 2.4-6.2 2.9/12290=28...(16) HG2 LYS 66 + HG3 GLU 62 OK 44 52 90 93 2.4-7.3 2.9/12290=26...(16) HG3 LYS 66 + HG2 GLU 62 OK 41 50 90 92 2.9-5.8 2.9/12290=28...(16) HG3 LYS 66 + HG3 GLU 62 OK 34 50 75 92 3.0-7.5 2.9/12290=26, ~12300=23...(16) HD3 LYS 40 + HG2 GLU 37 OK 33 100 35 95 4.5-7.9 3.0/11067=50, ~8846=42...(11) HD2 LYS 40 - HG2 GLU 37 far 15 100 15 - 4.1-8.9 HG LEU 38 - HG2 GLU 37 far 15 100 15 - 5.3-9.0 HB2 LEU 38 - HG2 GLU 37 far 0 99 0 - 6.3-7.9 HG LEU 64 - HG3 GLU 62 far 0 65 0 - 7.6-9.1 HG LEU 64 - HG2 GLU 62 far 0 65 0 - 7.9-9.8 HB3 LEU 64 - HG3 GLU 62 far 0 54 0 - 8.0-9.8 HB3 LEU 64 - HG2 GLU 62 far 0 54 0 - 8.1-9.7 HG LEU 38 - HG3 GLU 62 far 0 72 0 - 8.8-13.4 HD2 LYS 82 - HG2 GLU 62 far 0 72 0 - 8.8-10.6 HG3 LYS 39 - HG2 GLU 37 far 0 88 0 - 8.8-11.3 HD2 LYS 82 - HG3 GLU 62 far 0 72 0 - 9.2-10.6 HG LEU 38 - HG2 GLU 62 far 0 72 0 - 9.4-12.3 HB2 LEU 38 - HG3 GLU 62 far 0 70 0 - 9.8-14.2 HB2 LEU 38 - HG2 GLU 62 far 0 70 0 - 9.9-12.9 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 6 assignments used, quality = 1.00: QG2 THR 34 + HG2 GLU 37 OK 100 100 100 100 3.1-4.5 8759=100, 8758/1.8=90...(7) HG2 LYS 40 - HG2 GLU 37 far 0 99 0 - 6.7-8.8 QG2 THR 31 - HG2 GLU 37 far 0 81 0 - 7.1-8.8 HB2 LEU 6 - HG2 GLU 37 far 0 99 0 - 7.6-10.7 QG2 THR 34 - HG2 GLU 62 far 0 71 0 - 7.7-12.0 QG2 THR 34 - HG3 GLU 62 far 0 71 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 8844 from cnoeabs.peaks (0.88, 2.26, 36.95 ppm; 4.80 A): 1 out of 11 assignments used, quality = 0.85: QG1 VAL 32 + HG2 GLU 37 OK 85 85 100 100 2.5-4.3 10157=80, 8849/1.8=73...(21) QD1 LEU 38 - HG2 GLU 37 far 0 90 0 - 5.9-7.9 HG13 ILE 8 - HG2 GLU 37 far 0 100 0 - 6.3-8.9 QD1 LEU 38 - HG3 GLU 62 far 0 59 0 - 6.7-12.3 QD1 LEU 38 - HG2 GLU 62 far 0 59 0 - 6.7-11.9 QD2 LEU 64 - HG3 GLU 62 far 0 61 0 - 7.6-8.4 QD2 LEU 64 - HG2 GLU 62 far 0 61 0 - 7.7-9.1 QG1 VAL 32 - HG3 GLU 62 far 0 55 0 - 7.9-12.3 QG1 VAL 32 - HG2 GLU 62 far 0 55 0 - 8.1-11.4 HG13 ILE 8 - HG3 GLU 62 far 0 72 0 - 8.4-13.2 HG13 ILE 8 - HG2 GLU 62 far 0 72 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 8845 from cnoeabs.peaks (0.83, 2.26, 36.95 ppm; 4.94 A): 1 out of 21 assignments used, quality = 1.00: QG2 VAL 32 + HG2 GLU 37 OK 100 100 100 100 3.4-5.0 2.1/10157=85, ~8849=67...(20) QD2 LEU 38 - HG2 GLU 37 far 15 100 15 - 5.8-6.7 QG2 ILE 8 - HG2 GLU 37 far 3 57 5 - 5.7-8.0 QG2 ILE 8 - HG2 GLU 62 far 2 34 5 - 5.7-9.1 QG2 ILE 8 - HG3 GLU 62 far 0 34 0 - 5.9-9.9 QD1 LEU 38 - HG2 GLU 37 far 0 70 0 - 5.9-7.9 QD2 LEU 38 - HG3 GLU 62 far 0 72 0 - 6.4-11.9 QD1 LEU 38 - HG3 GLU 62 far 0 43 0 - 6.7-12.3 QD1 LEU 38 - HG2 GLU 62 far 0 43 0 - 6.7-11.9 QD1 LEU 70 - HG2 GLU 62 far 0 69 0 - 6.8-10.2 QD1 LEU 70 - HG3 GLU 62 far 0 69 0 - 7.1-11.1 QD2 LEU 70 - HG3 GLU 62 far 0 62 0 - 7.2-10.8 QG2 ILE 7 - HG2 GLU 37 far 0 81 0 - 7.5-9.6 QD1 LEU 70 - HG2 GLU 37 far 0 99 0 - 7.5-9.6 QD2 LEU 70 - HG2 GLU 62 far 0 62 0 - 7.6-10.5 QD2 LEU 64 - HG3 GLU 62 far 0 40 0 - 7.6-8.4 QD2 LEU 38 - HG2 GLU 62 far 0 72 0 - 7.6-11.5 QD2 LEU 64 - HG2 GLU 62 far 0 40 0 - 7.7-9.1 QD2 LEU 70 - HG2 GLU 37 far 0 93 0 - 8.5-10.9 QG2 ILE 15 - HG2 GLU 37 far 0 95 0 - 9.0-11.0 QG2 VAL 32 - HG3 GLU 62 far 0 72 0 - 10.0-14.4 Violated in 1 structures by 0.00 A. Peak 8846 from cnoeabs.peaks (1.67, 2.11, 36.95 ppm; 4.84 A): 1 out of 6 assignments used, quality = 0.69: HB2 LYS 40 + HG3 GLU 37 OK 69 84 85 97 4.8-6.1 1782/1609=59, ~11067=39...(14) HB3 LYS 40 - HG3 GLU 37 far 15 99 15 - 5.3-6.8 HB3 LEU 6 - HG3 GLU 37 far 0 87 0 - 8.5-11.2 HD3 LYS 39 - HG3 GLU 37 far 0 75 0 - 8.6-11.0 HD2 LYS 39 - HG3 GLU 37 far 0 94 0 - 8.8-11.2 HG LEU 70 - HG3 GLU 37 far 0 84 0 - 9.2-12.2 Violated in 19 structures by 0.57 A. Peak 8847 from cnoeabs.peaks (1.46, 2.11, 36.95 ppm; 5.20 A): 4 out of 6 assignments used, quality = 0.91: HD3 LYS 40 + HG3 GLU 37 OK 73 100 75 97 4.5-7.3 3.5/8846=69...(12) HB2 LEU 38 + HG3 GLU 37 OK 34 99 35 97 5.4-7.9 3.8/1614=71, ~8837=46...(12) HD2 LYS 40 + HG3 GLU 37 OK 29 100 30 96 5.6-8.4 3.5/8846=69, ~11067=45...(12) HG LEU 38 + HG3 GLU 37 OK 29 100 30 96 4.8-8.3 ~8837=58, 5.3/1614=53...(13) HG3 LYS 39 - HG3 GLU 37 far 0 88 0 - 8.3-10.1 HG3 LYS 66 - HG3 GLU 37 far 0 79 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 8848 from cnoeabs.peaks (1.16, 2.11, 36.95 ppm; 5.27 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 34 + HG3 GLU 37 OK 99 99 100 100 3.0-3.9 8758=98, 8759/1.8=89...(12) HG2 LYS 40 - HG3 GLU 37 far 0 100 0 - 6.9-8.4 QG2 THR 31 - HG3 GLU 37 far 0 88 0 - 8.3-9.0 HB2 LEU 6 - HG3 GLU 37 far 0 96 0 - 8.5-10.7 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 2.8-4.1 10157/1.8=70...(26) HG13 ILE 8 - HG3 GLU 37 far 0 96 0 - 6.4-9.4 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 = 0.95: QG2 VAL 32 + HG3 GLU 37 OK 92 92 100 100 4.1-5.2 2.1/8849=90, 8845/1.8=73...(24) QD2 LEU 38 + HG3 GLU 37 OK 33 99 35 96 5.1-6.3 8837/3.0=64, 4.5/1614=57...(12) QG2 ILE 8 - HG3 GLU 37 far 0 85 0 - 6.3-7.6 QD1 LEU 70 - HG3 GLU 37 far 0 100 0 - 6.5-8.5 QD2 LEU 70 - HG3 GLU 37 far 0 100 0 - 7.2-10.0 QG2 ILE 7 - HG3 GLU 37 far 0 98 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 8855 from cnoeabs.peaks (0.73, 3.87, 58.30 ppm; 4.12 A): 2 out of 10 assignments used, quality = 0.79: QD1 ILE 8 + HA LEU 38 OK 70 92 95 80 4.4-5.2 8851/2.9=24...(10) QD1 ILE 56 + HA LEU 38 OK 32 90 70 51 4.0-6.6 12202/3.0=17, 8306=12...(9) HG13 ILE 56 - HA LEU 38 far 10 96 10 - 4.8-7.6 QD2 LEU 42 - HA LEU 38 far 6 63 10 - 4.9-5.5 QG1 VAL 54 - HA LEU 38 far 0 73 0 - 5.5-6.2 QG1 VAL 78 - HA LEU 38 far 0 96 0 - 6.3-7.8 QG2 VAL 78 - HA LEU 38 far 0 99 0 - 6.5-7.9 QG1 VAL 58 - HA LEU 38 far 0 99 0 - 7.0-7.8 QG1 VAL 5 - HA LEU 38 far 0 100 0 - 8.2-9.6 QD1 ILE 52 - HA LEU 38 far 0 68 0 - 9.7-11.0 Violated in 14 structures by 0.18 A. Peak 8856 from cnoeabs.peaks (0.70, 1.46, 40.84 ppm; 4.41 A): 3 out of 10 assignments used, quality = 1.00: QD1 LEU 42 + HB2 LEU 38 OK 95 96 100 99 2.5-4.8 ~12068=42, 8947/1633=42...(23) QD1 ILE 8 + HB2 LEU 38 OK 94 100 100 94 2.8-5.3 12201=39, 12202/1.8=34...(15) QD1 ILE 56 + HB2 LEU 38 OK 54 100 80 67 2.9-6.1 12202/1.8=26...(10) QD2 LEU 6 - HB2 LEU 38 poor 19 94 20 - 4.0-7.2 HG13 ILE 56 - HB2 LEU 38 far 15 99 15 - 3.9-8.6 QG2 VAL 78 - HB2 LEU 38 far 0 95 0 - 5.5-8.4 QG1 VAL 58 - HB2 LEU 38 far 0 96 0 - 5.7-7.3 QG2 VAL 58 - HB2 LEU 38 far 0 79 0 - 7.9-9.4 QG1 VAL 5 - HB2 LEU 38 far 0 90 0 - 8.2-11.5 QD1 LEU 64 - HB2 LEU 38 far 0 63 0 - 8.3-10.0 Violated in 0 structures by 0.00 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 96 100 100 97 3.1-5.2 12202=43, 12201/1.8=37...(15) QD1 LEU 42 + HB3 LEU 38 OK 95 96 100 100 2.5-5.0 8947/6599=55, ~12068=48...(24) QD1 ILE 56 + HB3 LEU 38 OK 65 100 85 76 3.5-5.9 12202=34, 8856/1.8=19...(10) QD2 LEU 6 + HB3 LEU 38 OK 27 94 45 63 4.1-7.6 8851/1634=11...(13) HG13 ILE 56 - HB3 LEU 38 poor 20 99 20 - 4.9-8.4 QG1 VAL 58 - HB3 LEU 38 far 5 96 5 - 5.5-7.4 QG2 VAL 78 - HB3 LEU 38 far 0 95 0 - 5.8-8.4 QG2 VAL 58 - HB3 LEU 38 far 0 79 0 - 7.7-9.5 QG1 VAL 5 - HB3 LEU 38 far 0 90 0 - 8.5-11.2 QD1 LEU 64 - HB3 LEU 38 far 0 63 0 - 8.7-10.0 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 100 100 100 100 2.4-3.6 14602=73, 2.5/1882=63...(21) QE TYR 41 + HA LEU 38 OK 51 81 65 98 3.7-5.6 2.2/14602=58...(17) Violated in 0 structures by 0.00 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 3.5-5.8 4.6/1805=77, 4.6/8914=67...(23) QE TYR 41 + HB3 LYS 40 OK 83 88 95 99 3.8-6.6 6.6/1805=50, 8865/2.9=36...(19) 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 3.9-5.4 1876/10585=59...(25) QE TYR 41 + HG2 LYS 40 OK 79 81 100 98 4.3-5.7 5.7/10585=38...(19) Violated in 3 structures by 0.00 A. Peak 8866 from cnoeabs.peaks (6.84, 1.47, 28.90 ppm; 5.35 A): 4 out of 7 assignments used, quality = 1.00: QE TYR 41 + HD3 LYS 40 OK 97 98 100 99 3.4-5.9 8865/3.0=31, ~8865=30...(22) QD TYR 41 + HD3 LYS 40 OK 96 97 100 99 4.2-6.2 8865/3.0=39, 4.6/6651=36...(24) QE TYR 41 + HD2 LYS 40 OK 72 98 75 99 3.5-7.1 8865/3.0=31, ~8865=30...(21) QD TYR 41 + HD2 LYS 40 OK 72 97 75 99 4.1-7.1 8865/3.0=39, 8864/3.5=32...(24) HD1 TRP 92 - HB2 ARG 91 poor 19 29 65 - 2.8-7.0 HD21 ASN 60 - HD2 LYS 82 poor 19 75 35 72 5.2-7.7 4.5/10581=67...(3) HD1 TRP 92 - HD2 LYS 82 far 0 79 0 - 9.9-13.6 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 = 0.88: QE TYR 41 + HE2 LYS 40 OK 53 98 65 84 3.2-6.3 8900/1.8=21, 8900=21...(12) QE TYR 41 + HE3 LYS 40 OK 49 98 60 84 2.5-6.6 8900/1.8=21, 8900=21...(12) QD TYR 41 + HE3 LYS 40 OK 30 97 35 90 3.5-6.8 8865/4.0=26, 2.2/8900=21...(14) QD TYR 41 + HE2 LYS 40 OK 26 97 30 89 4.0-6.7 8865/4.0=26, 2.2/8900=21...(14) Violated in 7 structures by 0.00 A. Peak 8871 from cnoeabs.peaks (0.78, 3.93, 59.76 ppm; 4.68 A): 1 out of 9 assignments used, quality = 1.00: QD1 LEU 6 + HA TYR 41 OK 100 100 100 100 4.2-4.9 8227/3.0=68, 2.1/8872=67...(16) QG1 VAL 54 - HA TYR 41 far 0 96 0 - 5.8-7.0 QD2 LEU 42 - HA TYR 41 far 0 99 0 - 5.8-6.3 QD1 ILE 76 - HA TYR 41 far 0 88 0 - 6.5-7.0 QG1 VAL 78 - HA TYR 41 far 0 73 0 - 7.4-9.1 QG2 ILE 52 - HA TYR 41 far 0 100 0 - 8.0-10.2 QD1 LEU 70 - HA TYR 41 far 0 61 0 - 8.3-10.1 QD2 LEU 70 - HA TYR 41 far 0 77 0 - 9.2-11.1 QD2 LEU 2 - HA TYR 41 far 0 75 0 - 9.9-12.1 Violated in 11 structures by 0.09 A. Peak 8872 from cnoeabs.peaks (0.69, 3.93, 59.76 ppm; 5.04 A): 1 out of 8 assignments used, quality = 1.00: QD2 LEU 6 + HA TYR 41 OK 100 100 100 100 4.3-5.3 2.1/8871=84, 8230/3.0=54...(14) QD1 LEU 42 - HA TYR 41 far 0 100 0 - 6.2-6.6 QG2 VAL 54 - HA TYR 41 far 0 75 0 - 6.2-7.0 QD1 ILE 56 - HA TYR 41 far 0 90 0 - 6.9-9.6 QD1 ILE 52 - HA TYR 41 far 0 99 0 - 6.9-7.9 QG2 VAL 78 - HA TYR 41 far 0 65 0 - 8.1-9.7 HG13 ILE 56 - HA TYR 41 far 0 79 0 - 8.8-11.0 QD1 ILE 8 - HA TYR 41 far 0 87 0 - 9.2-10.1 Violated in 7 structures by 0.05 A. Peak 8873 from cnoeabs.peaks (0.79, 2.31, 36.90 ppm; 4.03 A): 4 out of 12 assignments used, quality = 0.99: QD1 LEU 6 + HB2 TYR 41 OK 95 95 100 100 2.0-2.8 8227/1.8=60, 8228=52...(20) QD2 LEU 42 + HB2 TYR 41 OK 51 91 65 86 4.4-5.3 1943/4.1=39, 2.1/8874=23...(14) QG1 VAL 54 + HB2 TYR 41 OK 35 84 70 59 4.1-5.3 9229/8890=22...(8) QD2 LEU 38 + HB2 TYR 41 OK 34 68 55 93 4.0-7.8 2.1/10549=49...(11) QD1 ILE 76 - HB2 TYR 41 far 0 98 0 - 6.1-7.3 QD1 LEU 70 - HB2 TYR 41 far 0 81 0 - 6.7-9.1 QG2 ILE 52 - HB2 TYR 41 far 0 99 0 - 7.6-10.2 QD2 LEU 70 - HB2 TYR 41 far 0 92 0 - 7.9-10.6 QG2 ILE 7 - HB2 TYR 41 far 0 99 0 - 8.5-9.4 QG2 ILE 8 - HB2 TYR 41 far 0 100 0 - 9.0-10.7 QD2 LEU 57 - HB2 TYR 41 far 0 99 0 - 9.0-10.5 QD2 LEU 2 - HB2 TYR 41 far 0 91 0 - 9.4-12.5 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 100 100 100 100 2.4-3.5 8230=52, ~8227=48...(18) QD1 LEU 42 + HB2 TYR 41 OK 51 100 55 93 4.6-6.0 6676/4.1=55...(14) QG2 VAL 54 - HB2 TYR 41 far 10 65 15 - 4.9-6.0 QD1 ILE 56 - HB2 TYR 41 far 5 95 5 - 4.4-8.2 HG13 ILE 56 - HB2 TYR 41 far 0 87 0 - 5.8-8.7 QG2 VAL 78 - HB2 TYR 41 far 0 75 0 - 6.4-7.9 QD1 ILE 8 - HB2 TYR 41 far 0 93 0 - 6.8-8.3 QD1 ILE 52 - HB2 TYR 41 far 0 100 0 - 7.0-8.7 QG1 VAL 5 - HB2 TYR 41 far 0 65 0 - 7.9-8.9 QG1 VAL 58 - HB2 TYR 41 far 0 77 0 - 9.1-10.8 QD1 LEU 29 - HB2 TYR 41 far 0 63 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 8875 from cnoeabs.peaks (0.85, 2.64, 36.90 ppm; 4.78 A): 3 out of 7 assignments used, quality = 0.98: QG2 VAL 32 + HB3 TYR 41 OK 89 90 100 99 3.4-5.5 10162/1890=53, 10161=50...(12) QD1 LEU 38 + HB3 TYR 41 OK 75 100 75 100 3.9-8.2 10549/1.8=73, 10548=73...(14) QD2 LEU 38 + HB3 TYR 41 OK 26 75 35 98 3.9-8.7 3.8/1890=60...(11) QG2 ILE 76 - HB3 TYR 41 far 0 77 0 - 6.7-8.1 QD1 LEU 70 - HB3 TYR 41 far 0 61 0 - 7.1-10.1 HG13 ILE 8 - HB3 TYR 41 far 0 70 0 - 8.2-10.7 QD1 LEU 2 - HB3 TYR 41 far 0 79 0 - 8.5-13.7 Violated in 4 structures by 0.06 A. Peak 8876 from cnoeabs.peaks (0.78, 2.64, 36.90 ppm; 4.12 A): 3 out of 12 assignments used, quality = 1.00: QD1 LEU 6 + HB3 TYR 41 OK 100 100 100 100 1.9-3.3 8227=79, 8871/3.0=51...(22) QG1 VAL 54 + HB3 TYR 41 OK 47 96 80 61 3.8-5.4 9229/8889=24...(6) QD2 LEU 42 + HB3 TYR 41 OK 27 99 30 91 4.7-5.6 1943/6669=50, 10595=24...(14) QG1 VAL 78 - HB3 TYR 41 far 0 73 0 - 6.1-8.1 QD1 ILE 76 - HB3 TYR 41 far 0 88 0 - 6.4-7.2 QG2 ILE 52 - HB3 TYR 41 far 0 100 0 - 7.1-10.8 QD1 LEU 70 - HB3 TYR 41 far 0 61 0 - 7.1-10.1 QD2 LEU 70 - HB3 TYR 41 far 0 77 0 - 7.9-10.9 QG2 ILE 7 - HB3 TYR 41 far 0 91 0 - 8.4-9.4 QG2 ILE 8 - HB3 TYR 41 far 0 99 0 - 8.9-11.0 QD2 LEU 2 - HB3 TYR 41 far 0 75 0 - 9.0-12.7 QD2 LEU 57 - HB3 TYR 41 far 0 94 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 8877 from cnoeabs.peaks (0.69, 2.64, 36.90 ppm; 4.42 A): 3 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + HB3 TYR 41 OK 100 100 100 100 2.4-3.6 2.1/8227=73, 8874/1.8=54...(23) QG2 VAL 54 + HB3 TYR 41 OK 29 65 70 63 4.8-6.4 2.1/8876=21...(8) QD1 LEU 42 + HB3 TYR 41 OK 24 100 25 97 4.7-6.5 6676/6669=67...(14) QD1 ILE 56 - HB3 TYR 41 far 5 95 5 - 5.2-8.1 HG13 ILE 56 - HB3 TYR 41 far 0 87 0 - 6.1-9.0 QD1 ILE 52 - HB3 TYR 41 far 0 100 0 - 6.4-8.5 QG2 VAL 78 - HB3 TYR 41 far 0 75 0 - 6.6-8.3 QD1 ILE 8 - HB3 TYR 41 far 0 93 0 - 6.7-9.1 QG1 VAL 5 - HB3 TYR 41 far 0 65 0 - 7.8-8.9 QD1 LEU 29 - HB3 TYR 41 far 0 63 0 - 8.9-10.3 QG1 VAL 58 - HB3 TYR 41 far 0 77 0 - 9.2-11.1 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 = 0.99: QG2 VAL 32 + QD TYR 41 OK 94 94 100 100 2.2-2.9 8910/2.2=87...(30) QD2 LEU 38 + QD TYR 41 OK 84 99 85 100 3.6-6.0 2.1/12065=75...(27) QD1 LEU 70 - QD TYR 41 far 0 100 0 - 6.3-8.4 QG2 ILE 7 - QD TYR 41 far 0 96 0 - 6.8-7.5 QD1 ILE 76 - QD TYR 41 far 0 97 0 - 7.1-7.8 QG2 ILE 8 - QD TYR 41 far 0 82 0 - 7.5-8.3 QD2 LEU 70 - QD TYR 41 far 0 100 0 - 7.9-9.7 QD2 LEU 57 - QD TYR 41 far 0 94 0 - 7.9-10.1 QG2 ILE 52 - QD TYR 41 far 0 67 0 - 8.1-10.4 QG2 ILE 15 - QD TYR 41 far 0 100 0 - 8.6-9.4 QD2 LEU 2 - QD TYR 41 far 0 100 0 - 9.3-11.6 QD1 LEU 57 - QD TYR 41 far 0 97 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 8879 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 5.74 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 41 OK 100 100 100 100 2.0-3.5 8911/2.2=90...(31) QD1 LEU 42 + QD TYR 41 OK 100 100 100 100 5.2-6.2 6676/4.6=82...(19) QD1 ILE 8 + QD TYR 41 OK 68 93 95 78 5.7-6.8 8942/14619=28...(15) QG2 VAL 54 + QD TYR 41 OK 44 65 95 71 6.0-7.0 ~8876=20, ~9246=19...(8) QD1 ILE 56 + QD TYR 41 OK 27 94 65 43 4.7-7.8 230/8210=15...(9) HG13 ILE 56 - QD TYR 41 lone 4 86 25 20 5.6-9.0 230/8210=9...(3) QG2 VAL 78 - QD TYR 41 far 0 75 0 - 7.0-8.7 QD1 ILE 52 - QD TYR 41 far 0 100 0 - 7.3-8.2 QG1 VAL 5 - QD TYR 41 far 0 65 0 - 7.5-8.3 QD1 LEU 29 - QD TYR 41 far 0 63 0 - 8.1-9.1 QG1 VAL 58 - QD TYR 41 far 0 77 0 - 8.2-9.3 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 4.8-5.4 6731/10584=74...(13) Violated in 0 structures by 0.00 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 4.2-4.9 8887/3.0=87, 2.2/8885=86...(13) 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 2.1-3.7 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 2.4-3.9 8887/1.8=92...(16) 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 2.1-4.8 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 2.2-4.5 2.2/8887=78, 8889/1.8=64...(13) Violated in 0 structures by 0.00 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 4.6-6.3 6644/6655=94...(7) H GLU 44 + HB2 TYR 41 OK 62 70 100 90 5.0-5.8 8984/2.5=46, 6702/4.1=41...(8) 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 3 assignments used, quality = 1.00: H LYS 40 + HB3 TYR 41 OK 100 100 100 100 4.6-6.5 6644/6656=99...(7) H GLU 44 + HB3 TYR 41 OK 76 79 100 96 5.0-5.8 8984/2.5=61...(7) H GLU 48 - HB3 TYR 41 far 0 96 0 - 9.5-11.8 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 2.3-3.4 4.6=100 H GLU 28 - QD TYR 41 far 0 65 0 - 9.4-10.7 H SER 9 - QD TYR 41 far 0 88 0 - 9.8-10.5 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 4 assignments used, quality = 1.00: HE ARG 30 + QE TYR 41 OK 97 97 100 100 2.0-6.2 2.9/8710=65, 5.0/8906=51...(13) H TYR 41 + QE TYR 41 OK 92 92 100 100 4.0-5.0 ~1876=74, 6656/4.4=74...(25) H SER 9 - QE TYR 41 far 0 99 0 - 8.6-9.6 H GLU 28 - QE TYR 41 far 0 100 0 - 9.7-11.3 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 5 assignments used, quality = 0.97: HA TYR 41 + QE TYR 41 OK 92 93 100 99 4.2-4.8 1876/2.2=87, 5.7=55...(12) HA LEU 38 + QE TYR 41 OK 63 69 95 95 3.7-5.6 8860/2.2=33...(17) HA GLU 35 - QE TYR 41 far 0 91 0 - 7.5-9.0 HA GLU 44 - QE TYR 41 far 0 79 0 - 7.9-9.3 HA GLU 43 - QE TYR 41 far 0 85 0 - 9.9-10.1 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 2.7-3.9 3.2/8910=80, 3.2/8909=64...(18) 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 2.1-6.0 3.6/8906=79, 8710=73...(17) 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 2 assignments used, quality = 0.99: HB3 TYR 41 + QE TYR 41 OK 93 93 100 100 4.4-4.5 4.4=100 HD2 ARG 30 + QE TYR 41 OK 91 95 95 100 2.1-6.0 1.8/8710=67, 3.6/8906=52...(16) 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 3.8-5.0 1.8/8815=97, 8813=49...(17) HB2 TYR 4 - QE TYR 41 far 0 100 0 - 7.5-9.5 HG3 GLU 43 - QE TYR 41 far 0 82 0 - 8.1-10.6 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 95 98 100 97 2.5-6.6 1.8/8867=33, 8867=30...(14) HE2 LYS 40 + QE TYR 41 OK 95 98 100 97 3.2-6.3 8867=32, 1.8/8867=30...(14) Violated in 0 structures by 0.00 A. Peak 8901 from cnoeabs.peaks (3.85, 6.85, 118.20 ppm; 5.69 A): 1 out of 4 assignments used, quality = 0.82: HA LEU 38 + QE TYR 41 OK 82 82 100 100 3.7-5.6 14602/2.2=95...(16) HA LYS 40 - QE TYR 41 far 9 94 10 - 6.3-7.3 HA ALA 67 - QE TYR 41 far 0 100 0 - 9.2-12.0 HA GLU 43 - QE TYR 41 far 0 65 0 - 9.9-10.1 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 3.6-4.9 3.9/8984=80...(10) QE MET 74 + QD TYR 41 OK 93 95 100 98 6.5-7.1 10590/4.6=87...(9) HB3 GLU 44 + QD TYR 41 OK 93 94 100 98 4.5-6.1 3.9/8984=80, 1.8/8988=66...(9) HB2 GLU 37 + QD TYR 41 OK 57 57 100 100 3.6-4.8 ~8815=78, ~8813=78...(20) HB2 GLU 35 - QD TYR 41 far 0 99 0 - 9.1-10.4 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 95 100 95 100 4.8-6.0 8815=100, 1.8/8813=83...(19) HB3 GLU 37 + QE TYR 41 OK 91 91 100 100 2.0-3.2 3.0/8815=75, 3.0/8813=69...(22) HG2 GLU 44 + QE TYR 41 OK 20 77 35 76 5.1-7.5 ~8988=32, ~5509=16...(10) HB3 LEU 38 - QE TYR 41 far 7 73 10 - 5.7-8.1 HB3 GLU 35 - QE TYR 41 far 0 87 0 - 9.5-11.0 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 3.0-4.3 3.0/8815=74, 3.0/8813=67...(17) HB VAL 32 + QE TYR 41 OK 71 75 95 100 4.5-6.0 2.1/8910=94, 2.1/8909=77...(16) HB2 GLU 44 - QE TYR 41 poor 16 79 20 - 5.4-6.9 HB3 GLU 44 - QE TYR 41 far 0 79 0 - 6.0-7.8 QE MET 74 - QE TYR 41 far 0 77 0 - 8.0-8.8 HB2 GLU 35 - QE TYR 41 far 0 65 0 - 9.7-11.3 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 2.7-4.2 8717/8911=67...(18) HB3 GLU 28 - QE TYR 41 far 0 67 0 - 8.3-10.1 HG2 ARG 19 - QE TYR 41 far 0 97 0 - 8.7-12.8 HB3 LEU 29 - QE TYR 41 far 0 100 0 - 8.8-9.9 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 ARG 30 + QE TYR 41 OK 80 80 100 100 2.4-5.1 2.9/8906=71, 3.0/8710=65...(21) HG LEU 6 + QE TYR 41 OK 79 88 90 100 5.3-6.5 2.1/8911=90...(13) HD3 LYS 40 + QE TYR 41 OK 63 63 100 99 3.4-5.9 ~8865=32, 3.0/8900=31...(23) HD2 LYS 40 + QE TYR 41 OK 51 61 85 99 3.5-7.1 ~8865=32, 3.0/8900=31...(22) HG3 LYS 33 + QE TYR 41 OK 45 100 50 91 5.5-6.9 10145/8896=63...(5) HG12 ILE 56 - QE TYR 41 far 0 79 0 - 7.3-11.9 HB ILE 7 - QE TYR 41 far 0 92 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 8908 from cnoeabs.peaks (1.35, 6.85, 118.20 ppm; 5.84 A): 3 out of 6 assignments used, quality = 1.00: HG3 LYS 40 + QE TYR 41 OK 94 99 95 100 3.5-7.0 10586/5.7=53...(21) HB3 ARG 30 + QE TYR 41 OK 89 89 100 100 3.2-5.3 1.8/8906=89, 3.6/8710=63...(18) HG12 ILE 8 + QE TYR 41 OK 35 97 40 89 6.0-7.7 10336/8909=65...(6) QB ALA 67 - QE TYR 41 far 0 98 0 - 7.9-10.1 HG2 LYS 39 - QE TYR 41 far 0 100 0 - 8.7-10.6 HB2 LEU 70 - QE TYR 41 far 0 92 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 8909 from cnoeabs.peaks (0.91, 6.85, 118.20 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 32 + QE TYR 41 OK 100 100 100 100 3.4-4.8 2.1/8910=93...(29) HG13 ILE 8 - QE TYR 41 far 0 94 0 - 6.1-8.7 HG13 ILE 7 - QE TYR 41 far 0 98 0 - 9.1-10.7 QG2 ILE 76 - QE TYR 41 far 0 89 0 - 9.5-10.5 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 99 100 100 100 1.9-3.7 2.1/8909=48, 10152=43...(26) QD2 LEU 38 - QE TYR 41 far 15 100 15 - 4.6-6.9 QD1 LEU 38 - QE TYR 41 far 0 73 0 - 4.9-7.2 QG2 ILE 7 - QE TYR 41 far 0 77 0 - 5.8-7.2 QD1 LEU 70 - QE TYR 41 far 0 97 0 - 7.3-9.6 QG2 ILE 15 - QE TYR 41 far 0 93 0 - 7.4-8.3 QD2 LEU 57 - QE TYR 41 far 0 71 0 - 8.3-10.8 QD2 LEU 70 - QE TYR 41 far 0 91 0 - 8.9-11.2 QD1 ILE 76 - QE TYR 41 far 0 80 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 8911 from cnoeabs.peaks (0.70, 6.85, 118.20 ppm; 4.86 A): 1 out of 10 assignments used, quality = 0.97: QD2 LEU 6 + QE TYR 41 OK 97 97 100 100 2.7-4.3 14618/2.2=53...(25) QD1 ILE 8 - QE TYR 41 far 0 99 0 - 5.9-7.6 QD1 ILE 56 - QE TYR 41 far 0 100 0 - 6.0-9.4 QD1 LEU 42 - QE TYR 41 far 0 98 0 - 6.9-8.0 HG13 ILE 56 - QE TYR 41 far 0 97 0 - 7.2-10.7 QG1 VAL 5 - QE TYR 41 far 0 84 0 - 7.7-8.9 QG1 VAL 58 - QE TYR 41 far 0 92 0 - 8.3-10.2 QG2 VAL 78 - QE TYR 41 far 0 91 0 - 8.6-10.4 QD1 ILE 52 - QE TYR 41 far 0 100 0 - 8.9-9.9 QD2 LEU 14 - QE TYR 41 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 8915 from cnoeabs.peaks (1.44, 1.81, 40.51 ppm; 5.03 A): 3 out of 8 assignments used, quality = 1.00: HG3 LYS 39 + HB2 LEU 42 OK 100 100 100 100 3.5-5.5 10568/3.1=75, ~10570=67...(15) QB ALA 71 + HB2 LEU 42 OK 63 85 75 98 4.7-6.9 ~8924=53, ~10414=40...(17) HB2 LEU 38 + HB2 LEU 42 OK 41 92 45 99 5.3-7.5 ~12068=45, 10551/3.0=34...(21) HG13 ILE 76 - HB2 LEU 42 far 10 100 10 - 5.8-7.3 HG LEU 38 - HB2 LEU 42 far 4 87 5 - 5.8-7.8 HD3 LYS 40 - HB2 LEU 42 far 0 77 0 - 8.4-9.5 HD2 LYS 40 - HB2 LEU 42 far 0 79 0 - 8.6-9.5 HG13 ILE 52 - HB2 LEU 42 far 0 90 0 - 9.0-11.6 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 1.9-2.2 9605/3.1=74...(33) HB3 MET 74 + HB2 LEU 42 OK 46 57 85 95 4.5-5.7 10339/1.8=31, ~9615=31...(19) HB2 ARG 46 - HB2 LEU 42 far 0 81 0 - 5.7-8.6 HB2 GLU 44 - HB2 LEU 42 far 0 100 0 - 6.5-7.9 HB3 GLU 44 - HB2 LEU 42 far 0 100 0 - 7.9-8.7 HB2 GLU 37 - HB2 LEU 42 far 0 85 0 - 8.5-9.4 HB2 GLU 35 - HB2 LEU 42 far 0 100 0 - 8.7-11.3 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 2 assignments used, quality = 1.00: HG3 MET 74 + HB2 LEU 42 OK 100 100 100 100 2.7-6.5 ~9615=73, ~10343=62...(23) HB3 TYR 41 + HB2 LEU 42 OK 93 93 100 100 4.9-6.1 4.1/6673=95...(13) 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 6 assignments used, quality = 1.00: HG13 ILE 76 + HB3 LEU 42 OK 100 100 100 100 4.3-5.6 2.1/10286=79, 10285=71...(27) QB ALA 71 + HB3 LEU 42 OK 87 92 95 100 3.9-6.3 10210/10653=73, ~8924=55...(18) HG3 LYS 39 + HB3 LEU 42 OK 59 99 60 100 4.3-6.8 10568/3.1=75...(16) HB2 LEU 38 - HB3 LEU 42 far 0 85 0 - 6.3-8.7 HG LEU 38 - HB3 LEU 42 far 0 79 0 - 7.2-9.1 HG13 ILE 52 - HB3 LEU 42 far 0 82 0 - 7.8-10.4 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 = 0.99: HG3 MET 74 + HB3 LEU 42 OK 98 99 100 100 1.9-6.0 ~9615=64, ~10343=53...(21) HB3 TYR 41 + HB3 LEU 42 OK 40 100 40 99 5.9-6.9 6669/6674=89...(12) HB3 ASP 77 - HB3 LEU 42 far 0 100 0 - 9.2-10.9 Violated in 3 structures by 0.00 A. Peak 8920 from cnoeabs.peaks (1.47, 1.90, 26.36 ppm; 4.88 A): 3 out of 8 assignments used, quality = 0.94: HG LEU 38 + HG LEU 42 OK 70 100 70 100 5.2-6.5 2.1/12068=94...(15) HB2 LEU 38 + HG LEU 42 OK 64 99 65 100 3.8-6.2 3.1/12068=82, 10551=45...(18) HG3 LYS 39 + HG LEU 42 OK 47 85 55 100 5.1-6.6 ~10570=79, 10568/2.1=67...(16) HG13 ILE 76 - HG LEU 42 far 0 77 0 - 6.6-8.4 HG13 ILE 52 - HG LEU 42 far 0 99 0 - 8.2-10.7 HG2 LYS 73 - HG LEU 42 far 0 84 0 - 8.7-11.7 HD3 LYS 40 - HG LEU 42 far 0 100 0 - 8.7-10.5 HD2 LYS 40 - HG LEU 42 far 0 100 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 8921 from cnoeabs.peaks (0.85, 1.90, 26.36 ppm; 4.06 A): 2 out of 6 assignments used, quality = 0.97: QD1 LEU 38 + HG LEU 42 OK 95 100 95 100 2.3-6.0 12068=99, 8912/6675=40...(21) QD2 LEU 38 + HG LEU 42 OK 47 75 65 97 4.1-6.2 2.1/12068=77...(17) QG2 ILE 76 - HG LEU 42 poor 19 77 25 - 4.7-6.1 QD1 LEU 70 - HG LEU 42 far 6 61 10 - 4.8-6.4 QG2 VAL 32 - HG LEU 42 far 0 90 0 - 5.0-6.0 HG13 ILE 8 - HG LEU 42 far 0 70 0 - 8.2-9.9 Violated in 4 structures by 0.08 A. Peak 8922 from cnoeabs.peaks (0.87, 1.81, 40.51 ppm; 5.26 A): 2 out of 5 assignments used, quality = 0.98: QG2 ILE 76 + HB2 LEU 42 OK 87 97 90 100 4.7-6.3 10883/1.8=87, ~10884=56...(29) QD1 LEU 38 + HB2 LEU 42 OK 84 99 85 100 3.8-6.8 12068/3.0=90...(20) QG2 VAL 32 - HB2 LEU 42 far 0 61 0 - 6.5-7.5 QG1 VAL 32 - HB2 LEU 42 far 0 61 0 - 7.0-8.4 HG13 ILE 8 - HB2 LEU 42 far 0 94 0 - 10.0-11.7 Violated in 1 structures by 0.00 A. Peak 8923 from cnoeabs.peaks (2.98, 0.77, 21.93 ppm; 4.91 A): 2 out of 6 assignments used, quality = 1.00: HB2 PHE 45 + QD2 LEU 42 OK 99 99 100 99 3.3-4.4 2.5/10600=93...(13) HB3 PHE 45 + QD2 LEU 42 OK 98 99 100 99 4.2-5.5 2.5/10600=93...(12) HE2 LYS 73 - QD2 LEU 42 far 0 87 0 - 7.7-11.6 HE3 LYS 73 - QD2 LEU 42 far 0 79 0 - 8.5-11.6 HE2 LYS 47 - QD2 LEU 42 far 0 100 0 - 8.8-11.9 HE3 LYS 47 - QD2 LEU 42 far 0 100 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 8924 from cnoeabs.peaks (3.85, 0.77, 21.93 ppm; 4.08 A): 1 out of 7 assignments used, quality = 0.95: HA ALA 71 + QD2 LEU 42 OK 95 100 100 95 1.9-3.3 ~10414=32, 2.1/12176=26...(22) HA ALA 67 - QD2 LEU 42 far 5 100 5 - 4.9-6.3 HA LEU 38 - QD2 LEU 42 far 5 91 5 - 4.9-5.5 HA GLU 43 - QD2 LEU 42 far 0 77 0 - 5.4-5.9 HA LYS 40 - QD2 LEU 42 far 0 98 0 - 7.0-7.4 HB3 SER 49 - QD2 LEU 42 far 0 100 0 - 7.3-9.6 HA GLU 35 - QD2 LEU 42 far 0 70 0 - 7.9-8.8 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...(12) 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 = 0.94: QD PHE 45 + HA LEU 42 OK 94 95 100 100 2.0-2.7 10600/1944=61...(16) 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 5.7-6.4 3.6/1658=82, ~8837=66...(13) HA LEU 42 + QD1 LEU 38 OK 79 94 85 99 4.6-8.3 4.3/12068=81...(10) HA LEU 64 - QD1 LEU 38 poor 8 81 25 38 5.5-7.8 7099/9530=19...(3) Violated in 3 structures by 0.02 A. Peak 8934 from cnoeabs.peaks (3.86, 0.91, 23.40 ppm; 3.43 A): 2 out of 5 assignments used, quality = 0.99: HA LEU 38 + QG1 VAL 32 OK 97 98 100 99 2.4-4.1 2.9/8932=56...(21) HA GLU 35 + QG1 VAL 32 OK 57 85 100 66 3.5-4.0 12057/8932=30, 10168=13...(9) HA ALA 67 - QG1 VAL 32 far 0 99 0 - 5.3-6.9 HA LYS 40 - QG1 VAL 32 far 0 100 0 - 7.5-8.3 HA ALA 71 - QG1 VAL 32 far 0 96 0 - 8.6-9.9 Violated in 1 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 4.2-4.7 3.0/8836=88, 3.6/8932=87...(20) HA LEU 42 - QG1 VAL 32 far 0 100 0 - 7.9-9.1 HB THR 80 - QG1 VAL 32 far 0 85 0 - 9.7-11.1 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 3.3-3.9 8831=90, 6579/8932=79...(19) H LEU 64 - QG1 VAL 32 far 0 100 0 - 7.8-9.6 H ASN 60 - QG1 VAL 32 far 0 99 0 - 8.2-9.3 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 1.9-2.9 8932=98, 6581/8836=43...(24) 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 2.1-3.1 8749=100, 6530/6517=56...(18) 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 3.7-4.6 14619=50, 2.2/8909=49...(33) QE TYR 41 + QG1 VAL 32 OK 77 77 100 100 3.4-4.8 8910/2.1=53...(25) Violated in 2 structures by 0.01 A. Peak 8942 from cnoeabs.peaks (0.67, 0.91, 23.40 ppm; 3.83 A): 2 out of 10 assignments used, quality = 0.88: QD2 LEU 6 + QG1 VAL 32 OK 70 96 75 97 3.8-5.5 3.1/8946=47, ~10159=43...(17) QD1 ILE 8 + QG1 VAL 32 OK 59 59 100 99 2.0-3.4 2.1/10336=57, ~12204=42...(27) QD1 ILE 56 - QG1 VAL 32 far 3 63 5 - 4.5-6.6 QD1 LEU 42 - QG1 VAL 32 far 0 94 0 - 5.2-6.1 QG2 VAL 58 - QG1 VAL 32 far 0 100 0 - 6.6-7.7 QD2 LEU 29 - QG1 VAL 32 far 0 81 0 - 7.5-8.1 QD2 LEU 14 - QG1 VAL 32 far 0 61 0 - 7.5-8.9 QG2 VAL 54 - QG1 VAL 32 far 0 96 0 - 8.1-8.9 QD1 LEU 29 - QG1 VAL 32 far 0 95 0 - 8.2-9.0 QD1 LEU 14 - QG1 VAL 32 far 0 100 0 - 9.4-10.4 Violated in 0 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 = 0.96: QG2 THR 34 + QG1 VAL 32 OK 94 96 100 97 4.1-4.6 6542/8749=64...(8) HB2 LEU 6 + QG1 VAL 32 OK 41 92 45 100 4.2-5.9 10337/2.1=77...(16) QG2 THR 31 - QG1 VAL 32 far 0 93 0 - 5.7-6.1 HG2 LYS 40 - QG1 VAL 32 far 0 100 0 - 7.5-8.3 HB2 LEU 57 - QG1 VAL 32 far 0 65 0 - 8.6-9.6 Violated in 12 structures by 0.08 A. Peak 8944 from cnoeabs.peaks (1.46, 0.91, 23.40 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.97: HG LEU 38 + QG1 VAL 32 OK 83 100 95 88 1.9-4.4 2.1/1405=33, 3.7/8934=24...(21) HB2 LEU 38 + QG1 VAL 32 OK 81 100 85 95 1.9-4.6 1626/8932=37...(24) HG3 LYS 39 - QG1 VAL 32 far 0 96 0 - 6.3-7.8 HD3 LYS 40 - QG1 VAL 32 far 0 99 0 - 6.3-8.4 HG3 LYS 66 - QG1 VAL 32 far 0 63 0 - 6.5-9.0 HD2 LYS 40 - QG1 VAL 32 far 0 99 0 - 6.6-8.9 HG12 ILE 7 - QG1 VAL 32 far 0 73 0 - 7.3-8.1 HG2 LYS 66 - QG1 VAL 32 far 0 68 0 - 7.6-9.9 HG LEU 29 - QG1 VAL 32 far 0 91 0 - 8.6-9.3 HB3 LEU 64 - QG1 VAL 32 far 0 70 0 - 9.0-10.4 Violated in 2 structures by 0.00 A. Peak 8945 from cnoeabs.peaks (1.58, 0.91, 23.40 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.74: HG2 LYS 33 + QG1 VAL 32 OK 74 77 100 96 4.2-4.6 4.9/8749=52...(6) HB2 ARG 30 - QG1 VAL 32 far 0 85 0 - 6.2-7.0 HD2 LYS 66 - QG1 VAL 32 far 0 88 0 - 7.5-10.5 HG3 LYS 73 - QG1 VAL 32 far 0 92 0 - 9.9-13.4 Violated in 14 structures by 0.08 A. Peak 8946 from cnoeabs.peaks (1.68, 0.91, 23.40 ppm; 4.40 A): 1 out of 11 assignments used, quality = 0.42: HB3 LEU 6 + QG1 VAL 32 OK 42 77 55 100 4.3-6.3 10160/2.1=70, ~10337=66...(16) HB2 LYS 40 - QG1 VAL 32 far 0 73 0 - 5.4-7.0 HB3 LYS 40 - QG1 VAL 32 far 0 100 0 - 5.9-7.6 HG LEU 70 - QG1 VAL 32 far 0 92 0 - 6.4-8.6 HB3 LEU 70 - QG1 VAL 32 far 0 63 0 - 6.5-7.9 HG12 ILE 15 - QG1 VAL 32 far 0 96 0 - 7.2-8.2 HD3 LYS 39 - QG1 VAL 32 far 0 63 0 - 7.5-9.4 HD2 LYS 39 - QG1 VAL 32 far 0 87 0 - 7.6-9.8 HD3 LYS 66 - QG1 VAL 32 far 0 88 0 - 7.6-10.3 HD3 LYS 73 - QG1 VAL 32 far 0 98 0 - 9.2-14.7 HG2 LYS 68 - QG1 VAL 32 far 0 65 0 - 9.6-11.9 Violated in 16 structures by 0.75 A. Peak 8950 from cnoeabs.peaks (3.86, 3.61, 60.29 ppm; 4.84 A): 3 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...(16) HA LEU 38 + HA LYS 39 OK 98 98 100 100 4.7-4.8 2.9/10547=60, ~6591=46...(23) HA ALA 71 + HA LYS 39 OK 46 96 65 74 5.1-6.6 12173/9609=46...(6) HA GLU 43 - HA LYS 39 far 5 91 5 - 5.6-6.9 HA GLU 35 - HA LYS 39 far 0 85 0 - 5.9-7.5 HA ALA 67 - HA LYS 39 far 0 99 0 - 6.3-7.6 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 1.9-2.7 9609=100, 3373/3.0=58...(23) HB2 GLU 35 - HA LYS 39 far 0 100 0 - 6.5-9.2 HB2 GLU 37 - HA LYS 39 far 0 84 0 - 7.3-7.6 HB2 ARG 46 - HA LYS 39 far 0 79 0 - 8.0-11.1 HB2 GLU 44 - HA LYS 39 far 0 100 0 - 8.0-9.6 HB3 GLU 44 - HA LYS 39 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 8952 from cnoeabs.peaks (0.81, 3.61, 60.29 ppm; 3.56 A): 2 out of 8 assignments used, quality = 0.90: QD2 LEU 70 + HA LYS 39 OK 72 100 75 96 3.9-5.9 10822=67, 10569/3.9=23...(19) QD1 LEU 70 + HA LYS 39 OK 66 100 70 94 3.2-5.0 2.1/10822=55...(23) QD1 ILE 76 - HA LYS 39 far 5 99 5 - 4.4-5.9 QD1 LEU 6 - HA LYS 39 far 0 59 0 - 4.9-6.3 QD2 LEU 38 - HA LYS 39 far 0 98 0 - 5.0-5.8 QG2 VAL 32 - HA LYS 39 far 0 90 0 - 6.0-7.1 QG2 ILE 52 - HA LYS 39 far 0 75 0 - 9.0-11.6 QG2 ILE 8 - HA LYS 39 far 0 88 0 - 9.3-10.4 Violated in 15 structures by 0.21 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 1.9-2.3 8966=57, 3.1/1679=53...(20) QD1 ILE 56 - HA LYS 39 far 0 100 0 - 5.7-7.3 QG2 VAL 78 - HA LYS 39 far 0 91 0 - 6.3-8.5 QD2 LEU 6 - HA LYS 39 far 0 97 0 - 6.6-7.6 QD1 ILE 8 - HA LYS 39 far 0 99 0 - 7.2-8.3 HG13 ILE 56 - HA LYS 39 far 0 97 0 - 7.5-10.2 QG1 VAL 58 - HA LYS 39 far 0 92 0 - 9.5-10.4 QD1 ILE 52 - HA LYS 39 far 0 100 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8956 from cnoeabs.peaks (0.80, 1.80, 32.18 ppm; 3.94 A): 3 out of 16 assignments used, quality = 0.99: QD1 LEU 70 + HB2 LYS 39 OK 93 95 100 98 2.5-4.8 ~10822=33, 8952/3.0=30...(29) QD2 LEU 70 + HB2 LYS 39 OK 87 99 90 97 2.8-5.9 10822/3.0=56...(25) QD1 ILE 93 + HB2 LYS 90 OK 42 66 70 90 3.7-5.5 10025/3.0=40...(16) QD2 LEU 38 - HB2 LYS 39 poor 17 87 20 - 4.4-6.5 QD2 LEU 42 - HB2 LYS 39 far 0 73 0 - 6.3-6.9 QG2 VAL 32 - HB2 LYS 39 far 0 71 0 - 6.3-7.4 QD1 LEU 6 - HB2 LYS 39 far 0 81 0 - 6.5-7.8 QD1 ILE 76 - HB2 LYS 39 far 0 100 0 - 6.6-8.0 QD1 LEU 57 - HB2 LYS 90 far 0 66 0 - 6.6-9.1 QD2 LEU 57 - HB2 LYS 90 far 0 91 0 - 7.2-9.3 QG2 ILE 15 - HB2 LYS 90 far 0 88 0 - 7.6-11.4 QG2 ILE 7 - HB2 LYS 90 far 0 91 0 - 7.7-11.2 QD1 ILE 15 - HB2 LYS 90 far 0 49 0 - 8.1-12.7 QD1 LEU 27 - HB2 LYS 90 far 0 64 0 - 8.3-10.0 QG2 ILE 8 - HB2 LYS 39 far 0 98 0 - 8.8-10.1 QG1 VAL 54 - HB2 LYS 39 far 0 63 0 - 8.9-10.2 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 = 0.98: QD2 LEU 70 + HB3 LYS 39 OK 79 96 85 96 3.8-6.2 10822/3.0=51...(21) QD1 ILE 15 + HB2 LYS 12 OK 44 60 75 98 4.0-5.3 8446/3.0=40, 8468/3.0=32...(22) QD1 ILE 15 + HB3 LYS 12 OK 41 59 70 98 4.3-5.4 8446/3.0=40, 8468/3.0=32...(22) QD1 LEU 70 + HB3 LYS 39 OK 38 88 45 96 2.1-5.7 ~10822=31, 8956/1.8=30...(22) QD1 ILE 93 + HB3 LYS 90 OK 33 47 80 87 3.6-5.5 10025/3.0=45...(13) QG2 ILE 15 + HB2 LYS 12 OK 20 83 25 98 4.3-5.2 10121/3.0=49...(18) QD2 LEU 38 - HB3 LYS 39 far 4 77 5 - 4.5-7.5 QG2 ILE 15 - HB3 LYS 12 far 0 83 0 - 5.5-6.2 QD1 ILE 76 - HB3 LYS 39 far 0 99 0 - 5.6-7.7 QD1 ILE 93 - HB2 LYS 20 far 0 51 0 - 5.7-8.4 QD2 LEU 42 - HB3 LYS 39 far 0 84 0 - 5.9-6.9 QD1 LEU 70 - HB3 LYS 68 far 0 84 0 - 6.2-9.1 HG13 ILE 15 - HB2 LYS 12 far 0 51 0 - 6.4-7.4 QD1 LEU 70 - HB2 LYS 68 far 0 58 0 - 6.6-9.0 QD1 LEU 6 - HB3 LYS 39 far 0 90 0 - 6.8-8.2 HG13 ILE 15 - HB3 LYS 12 far 0 50 0 - 6.8-8.0 QD2 LEU 42 - HB2 LYS 68 far 0 55 0 - 6.9-8.8 QD2 LEU 42 - HB3 LYS 68 far 0 80 0 - 6.9-9.2 QG2 VAL 32 - HB3 LYS 39 far 0 59 0 - 7.0-8.3 QD2 LEU 38 - HB3 LYS 68 far 0 73 0 - 7.1-9.1 QD2 LEU 70 - HB3 LYS 68 far 0 93 0 - 7.1-8.8 QG2 ILE 15 - HB2 LYS 20 far 0 57 0 - 7.1-9.3 QD2 LEU 70 - HB2 LYS 68 far 0 67 0 - 7.2-8.8 QD2 LEU 57 - HB3 LYS 90 far 0 60 0 - 7.2-9.5 QG2 ILE 7 - HB2 LYS 12 far 0 91 0 - 7.2-8.1 QD1 LEU 57 - HB3 LYS 90 far 0 34 0 - 7.4-9.4 QG2 ILE 15 - HB3 LYS 90 far 0 53 0 - 7.4-11.1 QG2 ILE 7 - HB3 LYS 90 far 0 60 0 - 7.5-11.0 QD2 LEU 38 - HB2 LYS 68 far 0 49 0 - 7.7-9.8 QD2 LEU 57 - HB3 LYS 68 far 0 98 0 - 7.9-11.5 QD1 LEU 57 - HB3 LYS 68 far 0 63 0 - 8.0-11.5 QG2 ILE 7 - HB3 LYS 12 far 0 90 0 - 8.0-8.6 QD1 ILE 15 - HB3 LYS 90 far 0 36 0 - 8.1-12.8 QD2 LEU 103 - HB2 LYS 68 far 0 44 0 - 8.1-18.8 QD1 LEU 27 - HB3 LYS 90 far 0 46 0 - 8.3-10.1 QD1 LEU 6 - HB3 LYS 68 far 0 85 0 - 8.6-11.3 QG1 VAL 54 - HB3 LYS 68 far 0 71 0 - 8.7-10.9 QD1 LEU 57 - HB2 LYS 68 far 0 42 0 - 8.7-12.1 QD2 LEU 57 - HB2 LYS 68 far 0 73 0 - 8.8-11.5 HG13 ILE 15 - HB3 LYS 90 far 0 30 0 - 8.8-13.2 QG2 ILE 7 - HB2 LYS 20 far 0 64 0 - 8.8-11.2 QD2 LEU 103 - HB3 LYS 68 far 0 65 0 - 8.9-19.4 QG1 VAL 54 - HB2 LYS 68 far 0 48 0 - 9.0-10.8 QG2 ILE 8 - HB3 LYS 68 far 0 97 0 - 9.0-11.2 QG1 VAL 54 - HB3 LYS 39 far 0 75 0 - 9.1-10.4 QD1 LEU 6 - HB2 LYS 68 far 0 60 0 - 9.3-11.1 QD1 ILE 76 - HB2 LYS 68 far 0 71 0 - 9.3-11.4 QD1 LEU 27 - HB2 LYS 20 far 0 50 0 - 9.4-10.7 QD1 ILE 76 - HB3 LYS 68 far 0 97 0 - 9.4-11.8 QG2 ILE 8 - HB2 LYS 68 far 0 72 0 - 9.6-11.7 QD1 ILE 15 - HB2 LYS 20 far 0 39 0 - 9.7-12.1 QG2 VAL 32 - HB3 LYS 68 far 0 56 0 - 9.8-12.1 QG2 ILE 8 - HB3 LYS 39 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 8958 from cnoeabs.peaks (0.80, 2.88, 41.80 ppm; 3.49 A): 4 out of 31 assignments used, quality = 0.98: QD2 LEU 70 + HE2 LYS 39 OK 84 99 95 89 1.9-7.6 10821=33, 10821/1.8=29...(18) QD2 LEU 70 + HE3 LYS 39 OK 71 100 80 89 2.0-7.1 10821=33, 10821/1.8=29...(18) QD1 LEU 70 + HE3 LYS 39 OK 42 99 50 85 2.0-6.5 2.1/10821=27...(19) QD1 LEU 70 + HE2 LYS 39 OK 41 97 50 85 2.0-6.4 2.1/10821=27...(19) QD2 LEU 70 - HE3 LYS 66 far 7 73 10 - 2.0-8.3 QD1 LEU 70 - HE3 LYS 66 far 7 70 10 - 4.2-7.4 QD2 LEU 70 - HE2 LYS 66 far 4 87 5 - 3.1-7.4 QD2 LEU 38 - HE2 LYS 39 far 0 92 0 - 4.5-9.2 QD1 LEU 70 - HE2 LYS 66 far 0 83 0 - 4.6-7.2 QD1 ILE 76 - HE3 LYS 39 far 0 100 0 - 5.3-9.4 QD2 LEU 38 - HE3 LYS 66 far 0 64 0 - 5.5-10.5 QD1 ILE 76 - HE2 LYS 39 far 0 99 0 - 5.5-8.9 QD2 LEU 38 - HE3 LYS 39 far 0 94 0 - 5.7-9.1 QD2 LEU 42 - HE2 LYS 39 far 0 60 0 - 6.2-8.6 QD1 LEU 57 - HE3 LYS 82 far 0 43 0 - 6.4-8.5 QD2 LEU 38 - HE2 LYS 66 far 0 77 0 - 6.4-10.5 QD2 LEU 42 - HE3 LYS 39 far 0 61 0 - 6.5-8.6 QG2 VAL 32 - HE2 LYS 39 far 0 80 0 - 7.5-11.1 QD1 LEU 6 - HE2 LYS 39 far 0 68 0 - 7.8-10.8 QG2 ILE 8 - HE2 LYS 66 far 0 77 0 - 7.9-10.5 QD2 LEU 57 - HE3 LYS 82 far 0 53 0 - 8.1-10.6 QG2 ILE 8 - HE3 LYS 66 far 0 64 0 - 8.1-10.3 QG2 VAL 32 - HE3 LYS 39 far 0 82 0 - 8.1-10.5 QD1 LEU 6 - HE3 LYS 39 far 0 70 0 - 8.2-10.3 QG2 ILE 8 - HE2 LYS 39 far 0 92 0 - 8.6-13.5 QG2 ILE 8 - HE3 LYS 82 far 0 47 0 - 8.8-10.9 QD2 LEU 42 - HE3 LYS 66 far 0 38 0 - 9.0-13.6 QG2 VAL 32 - HE2 LYS 66 far 0 65 0 - 9.4-13.1 QG2 VAL 32 - HE3 LYS 66 far 0 53 0 - 9.5-13.0 QG2 ILE 8 - HE3 LYS 39 far 0 94 0 - 9.7-13.6 QD2 LEU 42 - HE2 LYS 66 far 0 47 0 - 9.9-12.9 Violated in 4 structures by 0.09 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 3.1-6.4 1876/10586=78...(22) QE TYR 41 + HG3 LYS 40 OK 66 70 95 100 3.5-7.0 5.7/10586=55...(20) Violated in 1 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 4.4-5.2 8835=94, 1794/2.9=90...(18) HA LEU 42 - HG2 LYS 40 far 0 100 0 - 7.4-8.8 HB THR 80 - HG3 LYS 82 far 0 34 0 - 8.3-10.1 Violated in 2 structures by 0.01 A. Peak 8963 from cnoeabs.peaks (3.71, 1.36, 24.65 ppm; 5.24 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 37 + HG3 LYS 40 OK 100 100 100 100 3.3-5.7 1794/2.9=93, 1782/2.9=92...(18) HA LYS 90 - HG2 LYS 94 poor 11 44 25 - 4.8-9.0 HA LYS 90 - HG3 LYS 94 far 0 41 0 - 6.4-8.8 HA LEU 42 - HG3 LYS 40 far 0 100 0 - 7.2-8.9 Violated in 2 structures by 0.03 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 2.8-5.0 1794/3.5=76, 1782/3.5=74...(21) HA GLU 37 + HD2 LYS 40 OK 100 100 100 100 2.8-5.5 1794/3.5=76, 1782/3.5=74...(20) HA LYS 90 - HB2 ARG 91 far 0 21 0 - 5.7-6.6 HB THR 80 - HD2 LYS 82 far 0 81 0 - 8.9-11.0 HA LEU 42 - HD3 LYS 40 far 0 100 0 - 9.2-10.6 HA LEU 42 - HD2 LYS 40 far 0 100 0 - 9.4-10.8 HA LEU 14 - HB2 ARG 91 far 0 32 0 - 10.0-12.8 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 2.4-6.0 8835/4.0=78, 1794/4.8=76...(14) HA GLU 37 + HE2 LYS 40 OK 93 93 100 100 3.6-6.1 8835/4.0=78, 1794/4.8=76...(14) HA LEU 42 - HE3 LYS 40 far 0 96 0 - 9.0-11.4 HA LEU 42 - HE2 LYS 40 far 0 96 0 - 9.4-11.5 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 1.9-2.3 8953=97, 3.9/10570=72...(20) 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 3.2-4.0 8953/2.1=100...(20) Violated in 0 structures by 0.00 A. Peak 8969 from cnoeabs.peaks (3.85, 1.81, 40.51 ppm; 5.62 A): 4 out of 7 assignments used, quality = 1.00: HA ALA 71 + HB2 LEU 42 OK 100 100 100 100 4.3-6.0 8924/3.1=91, ~10414=50...(19) HA LEU 38 + HB2 LEU 42 OK 90 91 100 99 5.2-6.0 6665/6673=44...(18) HA LYS 40 + HB2 LEU 42 OK 87 98 100 89 4.9-5.3 3.6/8883=44...(7) HA GLU 43 + HB2 LEU 42 OK 77 77 100 100 4.3-4.6 2.9/6687=74, ~6688=73...(16) HA ALA 67 - HB2 LEU 42 far 0 100 0 - 7.2-8.9 HA GLU 35 - HB2 LEU 42 far 0 70 0 - 8.0-9.5 HB3 SER 49 - HB2 LEU 42 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 8970 from cnoeabs.peaks (3.85, 1.30, 40.51 ppm; 5.85 A): 4 out of 7 assignments used, quality = 1.00: HA ALA 71 + HB3 LEU 42 OK 100 100 100 100 3.4-5.2 8924/3.1=94...(21) HA GLU 43 + HB3 LEU 42 OK 68 68 100 100 4.1-4.5 2.9/6688=96...(17) HA LYS 40 + HB3 LEU 42 OK 58 95 75 82 6.4-6.8 6665/6674=42...(6) HA LEU 38 + HB3 LEU 42 OK 33 84 40 99 6.4-7.2 6665/6674=42, ~10546=31...(18) HA ALA 67 - HB3 LEU 42 far 0 100 0 - 7.6-9.2 HB3 SER 49 - HB3 LEU 42 far 0 99 0 - 8.0-10.6 HA GLU 35 - HB3 LEU 42 far 0 59 0 - 9.3-10.8 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 5 assignments used, quality = 0.91: HB2 PHE 45 + HB2 LEU 42 OK 81 81 100 100 5.2-6.2 ~10600=78, ~8928=77...(19) HB3 PHE 45 + HB2 LEU 42 OK 54 98 55 100 6.9-7.8 ~10600=78, ~8928=77...(19) HE2 LYS 73 - HB2 LEU 42 far 0 100 0 - 7.5-13.2 HE3 LYS 73 - HB2 LEU 42 far 0 99 0 - 8.7-13.2 HE3 LYS 47 - HB2 LEU 42 far 0 93 0 - 9.2-14.1 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 = 0.79: HE3 LYS 47 + HA GLU 44 OK 54 99 55 99 2.0-7.7 3.8/10615=46...(18) HE2 LYS 47 + HA GLU 44 OK 54 99 55 99 3.1-7.0 12106=49, 3.8/10615=46...(18) HB2 PHE 45 - HA GLU 44 far 0 92 0 - 5.7-6.0 HB3 PHE 45 - HA GLU 44 far 0 100 0 - 6.5-6.6 Violated in 9 structures by 0.34 A. Peak 8978 from cnoeabs.peaks (2.95, 2.00, 28.65 ppm; 4.79 A): 6 out of 18 assignments used, quality = 0.95: HB2 PHE 45 + HB2 GLU 44 OK 60 71 85 99 5.1-6.5 3.7/6724=65, ~8990=37...(13) HE2 LYS 47 + HB3 GLU 44 OK 43 87 55 91 3.3-8.8 12105/3.0=35, ~8977=26...(10) HB2 ASN 51 + HB2 GLN 50 OK 42 51 85 97 5.2-6.8 6835/4.6=59, ~12284=41...(12) HE3 LYS 90 + HB3 GLU 17 OK 30 58 55 95 2.3-7.0 11024/3.0=62...(18) HB3 PHE 45 + HB2 GLU 44 OK 28 95 30 98 5.6-7.4 3.7/6724=65, ~8990=37...(12) HE3 LYS 47 + HB3 GLU 44 OK 28 87 35 92 4.1-9.5 8977/3.0=34, ~12106=28...(10) HE2 LYS 47 - HB2 GLU 44 poor 17 87 20 - 4.6-9.8 HG2 MET 21 - HB3 GLU 17 poor 15 60 25 - 5.3-8.6 HE2 LYS 20 - HB3 GLU 17 far 5 32 15 - 5.0-10.0 HE3 LYS 47 - HB2 GLU 44 far 4 87 5 - 4.8-10.6 HE3 LYS 20 - HB3 GLU 17 far 2 33 5 - 5.3-9.7 HB2 PHE 45 - HB3 GLU 44 far 0 71 0 - 6.0-6.8 HE2 LYS 13 - HB3 GLU 17 far 0 60 0 - 6.5-11.0 HB3 PHE 45 - HB3 GLU 44 far 0 95 0 - 6.5-7.4 HE3 LYS 13 - HB3 GLU 17 far 0 61 0 - 7.9-11.2 HB3 PHE 45 - HB2 GLN 50 far 0 45 0 - 8.7-11.1 HE2 LYS 47 - HB2 GLN 50 far 0 39 0 - 9.4-13.6 HE3 LYS 12 - HB3 GLU 17 far 0 57 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 8981 from cnoeabs.peaks (0.79, 2.35, 35.75 ppm; 4.43 A): 3 out of 22 assignments used, quality = 0.76: QG2 ILE 15 + HG2 GLU 16 OK 56 67 90 94 2.2-5.8 8530/689=59, 660/6239=58...(8) QD2 LEU 2 + HG2 GLU 48 OK 31 77 40 100 3.4-6.1 10430/1.8=72, ~9042=52...(19) QD1 ILE 15 + HG2 GLU 16 OK 20 42 70 70 4.8-7.3 684/6239=31, ~10421=18...(9) QG2 ILE 52 - HG2 GLU 48 poor 15 75 20 - 4.1-7.0 QD2 LEU 70 - HG3 GLU 69 far 4 82 5 - 5.0-7.4 QD1 LEU 6 - HG3 GLU 44 far 0 87 0 - 5.7-8.6 QD1 ILE 76 - HG3 GLU 44 far 0 100 0 - 6.1-8.4 QD2 LEU 42 - HG3 GLU 44 far 0 81 0 - 6.1-8.6 QG2 ILE 7 - HG2 GLU 16 far 0 73 0 - 6.2-8.1 QD1 LEU 70 - HG3 GLU 69 far 0 74 0 - 6.2-7.7 QG2 ILE 52 - HG3 GLU 44 far 0 96 0 - 6.3-10.1 QG1 VAL 54 - HG3 GLU 44 far 0 71 0 - 6.7-9.3 QD2 LEU 2 - HG3 GLU 44 far 0 97 0 - 7.1-11.4 QD1 ILE 76 - HG2 GLU 48 far 0 82 0 - 7.8-9.5 QD1 ILE 93 - HG2 GLU 16 far 0 56 0 - 8.0-9.5 QG1 VAL 54 - HG2 GLU 48 far 0 52 0 - 8.4-11.3 QD2 LEU 42 - HG2 GLU 48 far 0 60 0 - 8.4-11.0 QG2 VAL 32 - HG3 GLU 44 far 0 63 0 - 8.4-10.9 QD2 LEU 38 - HG3 GLU 69 far 0 64 0 - 8.5-10.7 QD2 LEU 42 - HG3 GLU 69 far 0 64 0 - 9.2-10.5 QD2 LEU 38 - HG3 GLU 44 far 0 81 0 - 9.6-13.4 QD1 LEU 6 - HG2 GLU 48 far 0 66 0 - 9.9-12.7 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 4.8-5.3 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): 2 out of 6 assignments used, quality = 0.94: QD TYR 41 + HB2 GLU 44 OK 90 100 100 90 3.6-4.9 1876/1880=61...(10) QD TYR 41 + HB3 GLU 44 OK 45 100 60 76 4.5-6.1 8984/3.9=42...(9) HD21 ASN 60 - HB2 GLU 62 poor 15 43 35 - 4.5-7.1 QE TYR 41 - HB2 GLU 44 far 4 90 5 - 5.4-6.9 QE TYR 41 - HB3 GLU 44 far 0 90 0 - 6.0-7.8 HD1 TRP 92 - HB3 GLU 17 far 0 33 0 - 8.3-10.8 Violated in 3 structures by 0.01 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 3.3-5.3 6731/6725=61...(14) QD PHE 45 + HB3 GLU 44 OK 92 94 100 98 3.9-5.3 8990/3.0=58, 6731/4.7=57...(11) QD PHE 45 - HB2 GLN 50 far 0 44 0 - 9.5-11.8 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 98 100 100 2.2-5.3 8993/1.8=59...(11) Violated in 9 structures by 0.02 A. Peak 8993 from cnoeabs.peaks (6.65, 2.35, 35.75 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 45 + HG3 GLU 44 OK 99 100 100 99 2.6-6.1 8990/1.8=68...(12) QD PHE 45 - HG2 GLU 48 poor 18 82 65 34 4.2-7.5 2035/10182=29, 9147/9176=6 Violated in 9 structures by 0.31 A. Peak 8994 from cnoeabs.peaks (0.78, 2.98, 36.68 ppm; 4.54 A): 9 out of 17 assignments used, quality = 1.00: QG2 ILE 52 + HB2 PHE 45 OK 100 100 100 100 3.1-5.1 8996/3.0=72, 9144/2.5=61...(21) QD2 LEU 42 + HB2 PHE 45 OK 98 99 100 99 3.3-4.4 10600/2.5=85, 8923=39...(13) QG2 ILE 52 + HB3 PHE 45 OK 90 90 100 100 2.0-4.3 8996/3.0=72, 9144/2.5=61...(21) QD1 ILE 76 + HB2 PHE 45 OK 85 85 100 99 1.9-3.8 9642/2.5=55, 9669=49...(18) QD2 LEU 42 + HB3 PHE 45 OK 82 88 95 98 4.2-5.5 10600/2.5=85, 8923=38...(12) QG1 VAL 54 + HB3 PHE 45 OK 79 85 95 98 4.4-5.6 ~9222=53, 9226/4.4=48...(13) QD1 ILE 76 + HB3 PHE 45 OK 71 72 100 99 3.0-5.3 9642/2.5=55, 9669/1.8=47...(16) QG1 VAL 54 + HB2 PHE 45 OK 67 97 70 98 4.3-5.7 ~9222=53, 9226/4.4=48...(13) QG1 VAL 78 + HB2 PHE 45 OK 20 77 60 44 4.6-6.5 10906/9653=18...(6) QG1 VAL 78 - HB3 PHE 45 poor 13 64 20 - 5.0-6.6 QD2 LEU 2 - HB3 PHE 45 poor 12 59 20 - 4.8-6.4 QD1 LEU 6 - HB2 PHE 45 far 0 100 0 - 5.5-6.7 QD1 LEU 6 - HB3 PHE 45 far 0 90 0 - 6.0-7.3 QD2 LEU 2 - HB2 PHE 45 far 0 71 0 - 6.3-7.9 QD1 LEU 70 - HB2 PHE 45 far 0 57 0 - 9.2-10.5 QD2 LEU 70 - HB2 PHE 45 far 0 73 0 - 9.4-11.6 QD1 LEU 27 - HB3 PHE 45 far 0 89 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8995 from cnoeabs.peaks (0.68, 2.98, 36.68 ppm; 4.67 A): 4 out of 14 assignments used, quality = 1.00: QD1 ILE 52 + HB2 PHE 45 OK 98 98 100 100 2.7-3.6 9147/2.5=80, 9170/3.0=74...(24) QD1 ILE 52 + HB3 PHE 45 OK 86 86 100 100 1.8-2.2 9147/2.5=80, 9170/3.0=74...(24) QG2 VAL 54 + HB2 PHE 45 OK 80 81 100 99 2.6-4.0 9222/2.5=63, 9223/4.4=40...(18) QG2 VAL 54 + HB3 PHE 45 OK 66 67 100 99 2.7-3.6 9222/2.5=63, 9223/4.4=40...(18) QG2 VAL 78 - HB2 PHE 45 poor 15 59 25 - 4.5-7.4 QG2 VAL 78 - HB3 PHE 45 poor 10 48 20 - 4.4-7.9 QD1 LEU 42 - HB2 PHE 45 far 0 100 0 - 5.6-6.5 QD2 LEU 6 - HB2 PHE 45 far 0 100 0 - 6.5-8.3 QD2 LEU 6 - HB3 PHE 45 far 0 90 0 - 6.6-8.5 QD1 ILE 56 - HB2 PHE 45 far 0 85 0 - 6.8-8.1 QD1 LEU 42 - HB3 PHE 45 far 0 89 0 - 6.8-7.8 QD1 ILE 56 - HB3 PHE 45 far 0 72 0 - 7.2-8.7 HG13 ILE 56 - HB2 PHE 45 far 0 73 0 - 8.5-9.8 HG13 ILE 56 - HB3 PHE 45 far 0 60 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 8996 from cnoeabs.peaks (0.78, 4.52, 55.95 ppm; 4.03 A): 1 out of 7 assignments used, quality = 0.89: QG2 ILE 52 + HA PHE 45 OK 89 100 90 98 3.6-5.2 3.1/9170=57, 10647=53...(18) QD1 ILE 76 - HA PHE 45 poor 17 85 20 - 4.2-6.1 QD2 LEU 2 - HA PHE 45 far 4 71 5 - 4.8-6.8 QG1 VAL 54 - HA PHE 45 far 0 97 0 - 5.9-7.0 QD2 LEU 42 - HA PHE 45 far 0 99 0 - 5.9-6.8 QG1 VAL 78 - HA PHE 45 far 0 77 0 - 6.8-8.4 QD1 LEU 6 - HA PHE 45 far 0 100 0 - 6.9-8.1 Violated in 11 structures by 0.29 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 1.9-2.8 9170=85, 3.1/8996=54...(20) QG2 VAL 54 + HA PHE 45 OK 41 81 60 86 4.4-5.3 9222/2035=38...(12) QG2 VAL 78 - HA PHE 45 far 0 59 0 - 6.3-9.7 QD2 LEU 6 - HA PHE 45 far 0 100 0 - 7.3-8.9 QD1 LEU 42 - HA PHE 45 far 0 100 0 - 8.0-8.7 QD1 ILE 56 - HA PHE 45 far 0 85 0 - 8.6-10.3 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 2.1-3.5 10600=99, 1944/8928=67...(15) QD1 LEU 6 + QD PHE 45 OK 99 100 100 100 3.5-4.7 8212/2.2=84, 8211=75...(11) QG1 VAL 54 + QD PHE 45 OK 98 99 100 100 2.5-3.8 2.1/9222=84, 9226/2.2=75...(11) QG2 ILE 52 + QD PHE 45 OK 83 98 85 99 3.6-5.8 8996/2035=65, 9144=64...(13) QD1 ILE 76 + QD PHE 45 OK 72 74 100 98 2.8-4.4 9642=56, 3.2/9632=46...(14) QG1 VAL 78 + QD PHE 45 OK 52 86 100 61 3.3-5.0 10906/9632=35...(6) QD2 LEU 2 - QD PHE 45 far 9 58 15 - 4.9-7.0 QD2 LEU 70 - QD PHE 45 far 0 60 0 - 8.4-10.2 QD2 LEU 57 - QD PHE 45 far 0 83 0 - 8.9-10.1 QD1 LEU 27 - QD PHE 45 far 0 100 0 - 9.0-9.8 QG2 ILE 7 - QD PHE 45 far 0 78 0 - 9.8-11.0 QG2 ILE 93 - QD PHE 45 far 0 92 0 - 10.0-11.3 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 6 assignments used, quality = 1.00: QG2 VAL 54 + QD PHE 45 OK 99 99 100 100 1.9-2.8 9222=100, 9223/2.2=82...(18) QD1 LEU 42 + QD PHE 45 OK 72 76 95 99 4.7-5.6 2.1/10600=93...(11) QD1 ILE 52 + QD PHE 45 OK 63 64 100 98 2.2-3.5 3.1/9144=54, 9147=51...(14) QD2 LEU 6 + QD PHE 45 OK 47 79 60 99 4.6-6.2 2.1/8211=71, 8208/2.2=65...(9) QD2 LEU 29 - QD PHE 45 far 0 95 0 - 8.8-10.3 QD1 LEU 29 - QD PHE 45 far 0 99 0 - 9.1-10.3 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 2.0-2.7 8928=95, 1944/10600=90...(16) HA GLU 37 - QD PHE 45 far 0 99 0 - 9.3-10.0 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 4.3-4.5 2035/2.2=98, 2036=84...(11) HA ASP 77 - QE PHE 45 far 0 59 0 - 8.8-10.7 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 2.8-3.3 4.6=100 H ALA 71 - QD PHE 45 far 0 98 0 - 7.6-9.3 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 4.4-4.4 4.4=100 HB3 PHE 45 + QE PHE 45 OK 99 99 100 100 4.5-4.5 4.4=100 HE3 LYS 47 - QE PHE 45 far 15 100 15 - 6.6-12.0 HE2 LYS 47 - QE PHE 45 lone 1 100 25 5 5.2-10.8 14516/2.2=3 Violated in 0 structures by 0.00 A. Peak 9005 from cnoeabs.peaks (2.32, 6.51, 129.73 ppm; 6.44 A): 3 out of 6 assignments used, quality = 1.00: HB2 TYR 41 + QE PHE 45 OK 100 100 100 100 2.1-3.7 8890/2.2=98, 8887=97...(17) HB2 TYR 4 + QE PHE 45 OK 82 82 100 100 3.4-4.2 1.8/12076=95, 12074=79...(11) HG3 GLU 44 + QE PHE 45 OK 66 67 100 98 3.2-6.5 ~8990=81, 8993/2.2=48...(9) HG2 GLU 48 - QE PHE 45 poor 19 96 20 - 6.1-9.3 HG3 GLU 43 - QE PHE 45 far 0 100 0 - 7.7-8.8 HB2 GLU 48 - QE PHE 45 far 0 92 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 9006 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.35 A): 3 out of 14 assignments used, quality = 1.00: QG1 VAL 54 + QE PHE 45 OK 100 100 100 100 1.9-2.9 9226=84, 2.1/9223=74...(18) QD1 LEU 6 + QE PHE 45 OK 100 100 100 100 1.9-3.0 8212=99, 2.1/8208=81...(19) QD2 LEU 42 + QE PHE 45 OK 97 100 100 97 3.0-4.7 10600/2.2=85...(11) QG1 VAL 78 - QE PHE 45 poor 15 94 40 41 3.7-6.4 2502/9223=24...(6) QG2 ILE 52 - QE PHE 45 far 14 96 15 - 4.7-7.5 QD1 ILE 76 - QE PHE 45 far 9 63 15 - 4.6-6.1 QG1 VAL 5 - QE PHE 45 far 0 63 0 - 6.4-7.2 QD2 LEU 57 - QE PHE 45 far 0 73 0 - 7.8-9.0 QG2 ILE 7 - QE PHE 45 far 0 67 0 - 8.1-9.2 QD2 LEU 27 - QE PHE 45 far 0 69 0 - 8.1-8.8 QD1 LEU 27 - QE PHE 45 far 0 100 0 - 8.5-9.1 QG2 ILE 93 - QE PHE 45 far 0 97 0 - 9.1-10.2 QD1 ILE 93 - QE PHE 45 far 0 100 0 - 9.3-10.6 QG2 ILE 8 - QE PHE 45 far 0 88 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (0.68, 6.51, 129.73 ppm; 4.56 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + QE PHE 45 OK 99 99 100 100 2.6-4.4 8208=98, 2.1/8212=88...(20) QD1 ILE 52 + QE PHE 45 OK 92 94 100 98 3.9-5.1 9147/2.2=76...(12) QG2 VAL 54 + QE PHE 45 OK 89 89 100 100 2.5-3.5 9223=86, 9222/2.2=73...(21) QD1 LEU 42 + QE PHE 45 OK 77 98 85 93 4.9-6.1 ~10600=60, 4.0/14683=31...(12) QD1 ILE 56 - QE PHE 45 poor 12 75 60 26 3.8-6.6 230/8212=20, 14681/2.2=2...(5) HG13 ILE 56 - QE PHE 45 far 9 61 15 - 4.9-7.4 QD2 LEU 29 - QE PHE 45 far 0 69 0 - 7.1-8.5 QD1 ILE 8 - QE PHE 45 far 0 71 0 - 7.2-8.6 QD1 LEU 29 - QE PHE 45 far 0 88 0 - 7.7-8.7 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 5 assignments used, quality = 1.00: HB2 TYR 41 + HZ PHE 45 OK 99 99 100 100 2.2-4.5 8890=98, 8887/2.2=97...(14) HB2 TYR 4 + HZ PHE 45 OK 71 71 100 100 3.1-4.8 1.8/8127=97, ~12077=76...(9) HG3 GLU 44 + HZ PHE 45 OK 55 79 85 81 4.7-7.6 8993/3.8=51, 2030/8.2=29...(5) HG2 GLU 48 - HZ PHE 45 far 0 99 0 - 8.4-11.8 HG3 GLU 43 - HZ PHE 45 far 0 100 0 - 9.1-10.7 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 2.6-4.6 9229=99, 9226/2.2=90...(15) QD1 LEU 6 + HZ PHE 45 OK 100 100 100 100 2.2-4.2 8214=99, 2.1/8215=98...(17) QD2 LEU 42 + HZ PHE 45 OK 92 100 95 97 5.1-6.8 10600/3.8=83...(9) QG2 ILE 52 - HZ PHE 45 far 10 96 10 - 5.8-9.2 QG1 VAL 78 - HZ PHE 45 far 9 94 10 - 5.6-8.4 QD1 ILE 76 - HZ PHE 45 far 0 63 0 - 6.3-7.9 QG1 VAL 5 - HZ PHE 45 far 0 63 0 - 6.7-7.8 QD2 LEU 57 - HZ PHE 45 far 0 73 0 - 8.2-10.2 QG2 ILE 7 - HZ PHE 45 far 0 68 0 - 8.4-9.5 QD2 LEU 27 - HZ PHE 45 far 0 70 0 - 8.9-9.7 QD1 LEU 27 - HZ PHE 45 far 0 100 0 - 9.0-9.9 QG2 ILE 93 - HZ PHE 45 far 0 98 0 - 9.6-10.7 QD1 ILE 93 - HZ PHE 45 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 9010 from cnoeabs.peaks (0.68, 6.14, 127.52 ppm; 4.78 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HZ PHE 45 OK 99 99 100 100 2.3-4.1 8215=98, 8208/2.2=88...(19) QG2 VAL 54 + HZ PHE 45 OK 89 90 100 100 3.0-4.9 9223/2.2=72, 2.1/9229=69...(17) QD1 ILE 52 - HZ PHE 45 poor 19 94 20 - 5.3-6.6 QD1 ILE 56 - HZ PHE 45 far 8 75 10 - 5.4-8.7 HG13 ILE 56 - HZ PHE 45 far 0 61 0 - 6.3-9.6 QD1 LEU 42 - HZ PHE 45 far 0 98 0 - 6.6-7.9 QD2 LEU 29 - HZ PHE 45 far 0 70 0 - 6.9-8.3 QD1 LEU 29 - HZ PHE 45 far 0 88 0 - 7.7-8.8 QD1 ILE 8 - HZ PHE 45 far 0 71 0 - 8.1-10.1 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 = 0.95: HA MET 74 + HD2 ARG 46 OK 89 100 90 98 3.3-6.0 12326=73, 9013/1.8=69...(10) HA ILE 76 + HD2 ARG 46 OK 54 81 70 96 4.2-6.6 3.2/9019=48, 4.2/9017=46...(11) HA GLU 48 - HD2 ARG 46 far 0 81 0 - 7.9-10.9 HA GLN 50 - HD2 ARG 46 far 0 100 0 - 9.5-12.6 Violated in 2 structures by 0.02 A. Peak 9013 from cnoeabs.peaks (4.41, 3.19, 43.64 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.78: HA MET 74 + HD3 ARG 46 OK 78 100 80 98 3.5-6.0 12326/1.8=77, 12327=55...(9) HA ILE 76 - HD3 ARG 46 far 13 90 15 - 4.9-8.0 HA GLU 48 - HD3 ARG 46 far 0 90 0 - 9.5-10.9 Violated in 14 structures by 0.54 A. Peak 9014 from cnoeabs.peaks (4.42, 1.79, 26.76 ppm; 5.99 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 76 + HG3 ARG 46 OK 90 100 90 100 4.0-7.0 3.8/10177=84...(11) HA MET 74 + HG3 ARG 46 OK 72 91 80 99 5.0-8.0 9013/3.0=76...(9) HA GLU 48 - HG3 ARG 46 far 0 100 0 - 7.2-9.6 HA GLN 50 - HG3 ARG 46 far 0 84 0 - 9.4-11.8 Violated in 3 structures by 0.06 A. Peak 9015 from cnoeabs.peaks (1.64, 3.31, 43.64 ppm; 5.86 A): 1 out of 8 assignments used, quality = 0.99: HB ILE 76 + HD2 ARG 46 OK 99 99 100 100 4.7-6.2 2.1/9019=86...(25) HD3 LYS 39 - HD2 ARG 46 far 5 100 5 - 6.6-11.5 HG3 LYS 47 - HD2 ARG 46 far 0 98 0 - 7.1-9.0 HD2 LYS 39 - HD2 ARG 46 far 0 93 0 - 7.3-11.9 HG3 LYS 73 - HD2 ARG 46 far 0 63 0 - 7.6-11.8 HB ILE 52 - HD2 ARG 46 far 0 68 0 - 7.7-11.0 HD2 LYS 73 - HD2 ARG 46 far 0 73 0 - 8.8-12.2 HD3 LYS 73 - HD2 ARG 46 far 0 77 0 - 8.9-12.3 Violated in 3 structures by 0.03 A. Peak 9016 from cnoeabs.peaks (1.43, 3.31, 43.64 ppm; 6.11 A): 1 out of 4 assignments used, quality = 0.99: HG13 ILE 76 + HD2 ARG 46 OK 99 99 100 100 2.0-4.1 2.1/10882=95, ~9020=88...(27) QB ALA 71 - HD2 ARG 46 far 14 96 15 - 6.0-8.9 HG3 LYS 39 - HD2 ARG 46 far 0 96 0 - 7.3-11.6 HG13 ILE 52 - HD2 ARG 46 far 0 73 0 - 8.8-11.3 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 8 assignments used, quality = 1.00: QD1 ILE 76 + HD2 ARG 46 OK 100 100 100 100 2.0-3.4 9020/1.8=84, 10882=69...(27) QD2 LEU 42 - HD2 ARG 46 poor 14 77 30 60 4.5-7.6 9604/9608=31...(6) QG2 ILE 52 - HD2 ARG 46 far 0 94 0 - 5.5-7.8 QD1 LEU 70 - HD2 ARG 46 far 0 93 0 - 7.9-11.4 QD2 LEU 70 - HD2 ARG 46 far 0 99 0 - 7.9-10.6 QD1 LEU 6 - HD2 ARG 46 far 0 84 0 - 8.8-10.6 QG1 VAL 54 - HD2 ARG 46 far 0 68 0 - 8.8-10.7 QD2 LEU 2 - HD2 ARG 46 far 0 98 0 - 9.3-12.0 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 2 assignments used, quality = 1.00: QG2 ILE 76 + HD2 ARG 46 OK 100 100 100 100 3.9-5.2 3452/10882=74...(29) QD1 LEU 38 - HD2 ARG 46 far 0 94 0 - 7.8-12.3 Violated in 0 structures by 0.00 A. Peak 9020 from cnoeabs.peaks (0.79, 3.19, 43.64 ppm; 4.31 A): 1 out of 7 assignments used, quality = 0.99: QD1 ILE 76 + HD3 ARG 46 OK 99 99 100 100 2.0-3.7 10881=68, 9017/1.8=62...(26) QD2 LEU 42 - HD3 ARG 46 far 4 85 5 - 4.9-7.3 QG2 ILE 52 - HD3 ARG 46 far 0 98 0 - 6.5-8.4 QD2 LEU 70 - HD3 ARG 46 far 0 96 0 - 8.1-11.3 QD1 LEU 70 - HD3 ARG 46 far 0 87 0 - 8.3-11.5 QD1 LEU 6 - HD3 ARG 46 far 0 91 0 - 8.9-10.5 QG1 VAL 54 - HD3 ARG 46 far 0 77 0 - 9.0-10.9 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 1.9-4.5 2.1/10177=64...(30) QG2 ILE 52 - HG3 ARG 46 far 3 65 5 - 5.0-7.1 QD1 LEU 70 - HG3 ARG 46 far 0 100 0 - 8.4-12.3 QD2 LEU 2 - HG3 ARG 46 far 0 100 0 - 8.7-10.6 QD2 LEU 70 - HG3 ARG 46 far 0 100 0 - 8.7-11.7 QD2 LEU 38 - HG3 ARG 46 far 0 99 0 - 9.9-13.8 Violated in 1 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 1.9-4.3 2.1/10178=61...(28) QG2 ILE 52 - HG2 ARG 46 far 10 65 15 - 5.0-7.9 QD2 LEU 2 - HG2 ARG 46 far 0 100 0 - 8.8-10.5 QD2 LEU 70 - HG2 ARG 46 far 0 100 0 - 9.0-12.6 QD1 LEU 70 - HG2 ARG 46 far 0 100 0 - 9.1-12.6 QD2 LEU 38 - HG2 ARG 46 far 0 99 0 - 10.0-14.4 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 7 assignments used, quality = 0.98: QG2 ILE 76 + HA ARG 46 OK 98 99 100 100 2.6-4.2 3.2/9639=60...(24) QD1 LEU 38 - HA LYS 66 far 8 82 10 - 4.9-7.4 QD1 LEU 2 - HA ARG 46 far 0 99 0 - 6.5-9.6 QG1 VAL 32 - HA LYS 66 far 0 52 0 - 7.6-9.7 QD2 LEU 64 - HA LYS 66 far 0 84 0 - 7.8-8.0 HG13 ILE 8 - HA LYS 66 far 0 80 0 - 9.0-10.7 QD1 LEU 38 - HA ARG 46 far 0 98 0 - 9.2-12.8 Violated in 1 structures by 0.00 A. Peak 9026 from cnoeabs.peaks (0.79, 4.07, 58.19 ppm; 3.71 A): 4 out of 15 assignments used, quality = 1.00: QD1 ILE 76 + HA ARG 46 OK 99 99 100 100 2.3-4.2 9639=83, 3.2/9025=47...(21) QG2 ILE 52 + HA ARG 46 OK 70 98 85 85 3.6-5.2 3.1/9027=49...(9) QD1 LEU 70 + HA LYS 66 OK 59 69 90 95 3.2-5.7 9517/3.7=42, 9506/3.0=29...(16) QD2 LEU 70 + HA LYS 66 OK 20 79 30 86 2.6-5.4 3166/7139=29, ~9506=25...(13) QD2 LEU 38 - HA LYS 66 far 0 59 0 - 4.9-7.9 QD2 LEU 42 - HA ARG 46 far 0 85 0 - 5.6-6.9 QD2 LEU 2 - HA ARG 46 far 0 95 0 - 7.0-8.3 QD1 LEU 27 - HA LYS 24 far 0 51 0 - 7.1-8.1 QG1 VAL 54 - HA ARG 46 far 0 77 0 - 7.3-9.1 QG2 ILE 8 - HA LYS 66 far 0 86 0 - 7.7-9.2 QD2 LEU 42 - HA LYS 66 far 0 68 0 - 8.2-9.8 QD1 LEU 6 - HA ARG 46 far 0 91 0 - 8.7-10.2 QD1 ILE 93 - HA LYS 24 far 0 52 0 - 8.8-9.7 QG2 VAL 32 - HA LYS 66 far 0 44 0 - 9.1-10.8 QD1 LEU 6 - HA LYS 66 far 0 73 0 - 9.5-11.0 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 13 assignments used, quality = 0.93: QD1 ILE 52 + HA ARG 46 OK 93 99 100 94 3.4-4.8 9151/3.0=41, 9171=39...(12) QG2 VAL 54 - HA ARG 46 far 0 73 0 - 5.1-7.1 QD1 ILE 8 - HA LYS 66 far 0 71 0 - 6.2-7.8 QG2 VAL 78 - HA ARG 46 far 0 68 0 - 6.2-9.8 QD1 LEU 42 - HA LYS 66 far 0 87 0 - 6.5-8.2 QG1 VAL 58 - HA LYS 66 far 0 54 0 - 6.6-7.3 QD1 ILE 56 - HA LYS 66 far 0 73 0 - 6.8-9.2 QD1 LEU 42 - HA ARG 46 far 0 100 0 - 7.2-8.3 QG2 VAL 58 - HA LYS 66 far 0 83 0 - 7.5-8.0 QG2 VAL 78 - HA LYS 66 far 0 52 0 - 8.1-10.6 HG13 ILE 56 - HA LYS 66 far 0 64 0 - 8.8-11.5 QD1 LEU 29 - HA LYS 24 far 0 39 0 - 8.8-10.3 QD1 ILE 56 - HA ARG 46 far 0 91 0 - 9.6-10.8 Violated in 16 structures by 0.26 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 6.0-6.5 6780/2230=95...(7) H ILE 52 + HB2 GLU 48 OK 92 92 100 100 4.4-6.5 4.8/9040=69, 4.6/9114=69...(12) HE ARG 46 - HB2 GLU 48 far 0 100 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 9031 from cnoeabs.peaks (8.55, 2.30, 29.70 ppm; 5.61 A): 3 out of 3 assignments used, quality = 1.00: H GLN 50 + HB2 GLU 48 OK 100 100 100 100 2.3-4.7 12314/3.0=89...(13) H ASN 51 + HB2 GLU 48 OK 53 98 55 98 4.0-7.4 6836/9114=77...(9) H LEU 2 + HB2 GLU 48 OK 33 63 60 87 5.4-7.4 4.7/9038=62, 4.7/9039=29...(5) Violated in 0 structures by 0.00 A. Peak 9033 from cnoeabs.peaks (7.46, 2.33, 35.74 ppm; 5.96 A): 4 out of 8 assignments used, quality = 1.00: H LYS 47 + HG2 GLU 48 OK 99 99 100 100 4.0-6.1 6780/4.9=85...(13) H LYS 47 + HG3 GLU 44 OK 66 81 85 97 4.6-7.5 6758/4.0=84...(7) HE22 GLN 72 + HG3 GLU 69 OK 56 77 95 76 4.0-6.9 9571/3092=68...(4) HE ARG 19 + HG2 GLU 16 OK 39 78 60 83 4.3-9.1 12312/3.0=53...(4) H ILE 52 - HG2 GLU 48 poor 15 77 20 - 6.4-8.6 HE ARG 46 - HG3 GLU 44 far 0 82 0 - 7.0-11.8 HE ARG 46 - HG2 GLU 48 far 0 100 0 - 9.4-11.8 H ALA 89 - HG2 GLU 16 far 0 42 0 - 9.9-12.8 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 3.8-4.6 9040/3.0=70, 9177/3.0=69...(25) QG2 VAL 54 - HA GLU 48 far 0 93 0 - 8.2-9.5 Violated in 0 structures by 0.00 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 1.9-4.2 9042/3.0=65, 8053/1.8=55...(27) QG2 ILE 76 - HB2 GLU 48 far 0 100 0 - 6.0-8.5 Violated in 0 structures by 0.00 A. Peak 9039 from cnoeabs.peaks (0.77, 2.30, 29.70 ppm; 4.65 A): 2 out of 6 assignments used, quality = 0.93: QG2 ILE 52 + HB2 GLU 48 OK 80 100 80 100 2.9-5.8 10643/1.8=86...(31) QD2 LEU 2 + HB2 GLU 48 OK 63 63 100 100 2.8-4.4 2.1/9038=68, 9043/3.0=63...(27) QD1 ILE 76 - HB2 GLU 48 far 0 79 0 - 7.0-10.0 QG1 VAL 54 - HB2 GLU 48 far 0 99 0 - 9.1-10.6 QG1 VAL 78 - HB2 GLU 48 far 0 84 0 - 9.5-11.5 QD2 LEU 42 - HB2 GLU 48 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 9040 from cnoeabs.peaks (0.68, 2.30, 29.70 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.96: QD1 ILE 52 + HB2 GLU 48 OK 96 96 100 100 2.4-3.9 9177/1.8=84, 9037/3.0=59...(30) QG2 VAL 54 - HB2 GLU 48 far 0 87 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 9041 from cnoeabs.peaks (0.69, 2.05, 29.70 ppm; 4.16 A): 1 out of 17 assignments used, quality = 1.00: QD1 ILE 52 + HB3 GLU 48 OK 100 100 100 100 1.9-2.4 9177=99, 9040/1.8=64...(25) QD1 LEU 14 - HB3 GLU 88 far 0 28 0 - 5.5-6.9 QD2 LEU 27 - HB2 GLU 99 far 0 35 0 - 6.0-9.6 QG2 VAL 54 - HB3 GLU 48 far 0 65 0 - 6.1-7.2 QD2 LEU 14 - HB3 GLU 88 far 0 26 0 - 6.4-7.8 QD2 LEU 27 - HB3 GLU 99 far 0 32 0 - 7.4-9.8 QD2 LEU 27 - HB2 GLU 98 far 0 30 0 - 7.4-8.5 QD2 LEU 27 - HB3 GLU 98 far 0 30 0 - 8.0-9.3 QG2 VAL 58 - HB3 GLU 88 far 0 28 0 - 8.0-9.4 QG2 VAL 78 - HB3 GLU 48 far 0 75 0 - 8.2-11.6 QG1 VAL 5 - HB3 GLU 99 far 0 36 0 - 8.4-12.4 QD2 LEU 27 - HB3 GLU 48 far 0 59 0 - 9.0-11.1 QG1 VAL 5 - HB2 GLU 99 far 0 39 0 - 9.3-12.5 QD2 LEU 6 - HB3 GLU 48 far 0 100 0 - 9.5-11.9 QG2 VAL 54 - HB2 GLU 99 far 0 39 0 - 9.6-12.8 QG2 VAL 78 - HB2 GLU 99 far 0 46 0 - 9.8-13.5 QG1 VAL 5 - HB2 GLU 98 far 0 33 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9042 from cnoeabs.peaks (0.87, 2.43, 35.74 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 2 + HG3 GLU 48 OK 98 98 100 100 2.2-5.2 2.1/9043=73, 8056=64...(17) QD1 LEU 103 - HG3 GLU 99 poor 20 79 25 - 4.4-12.5 QG2 ILE 76 - HG3 GLU 48 far 0 98 0 - 6.7-9.3 HG13 ILE 7 - HG3 GLU 17 far 0 68 0 - 8.8-10.9 Violated in 5 structures by 0.13 A. Peak 9043 from cnoeabs.peaks (0.78, 2.43, 35.74 ppm; 4.56 A): 1 out of 20 assignments used, quality = 0.76: QD2 LEU 2 + HG3 GLU 48 OK 76 85 90 99 2.1-5.6 2.1/9042=76, ~9038=38...(16) QG2 ILE 52 - HG3 GLU 48 poor 20 100 20 - 4.0-6.8 QD1 LEU 27 - HG3 GLU 99 far 0 73 0 - 6.0-9.8 QG2 ILE 15 - HG3 GLU 17 far 0 64 0 - 6.5-7.6 QD1 ILE 93 - HG3 GLU 17 far 0 78 0 - 6.7-8.7 QD1 ILE 15 - HG3 GLU 17 far 0 67 0 - 6.9-9.0 HG13 ILE 15 - HG3 GLU 17 far 0 60 0 - 7.2-9.6 QG2 ILE 93 - HG3 GLU 99 far 0 50 0 - 7.2-10.6 QD1 ILE 76 - HG3 GLU 48 far 0 95 0 - 7.4-10.2 QG2 ILE 7 - HG3 GLU 17 far 0 77 0 - 7.9-9.3 QD2 LEU 57 - HG3 GLU 99 far 0 75 0 - 8.4-12.0 QG1 VAL 54 - HG3 GLU 48 far 0 90 0 - 8.6-11.1 QD2 LEU 42 - HG3 GLU 48 far 0 95 0 - 8.8-11.1 QD1 ILE 93 - HG3 GLU 99 far 0 74 0 - 9.3-12.6 QD2 LEU 57 - HG3 GLU 17 far 0 80 0 - 9.4-12.6 QG1 VAL 54 - HG3 GLU 99 far 0 65 0 - 9.5-14.4 QG2 ILE 93 - HG3 GLU 17 far 0 53 0 - 9.5-10.7 QG1 VAL 78 - HG3 GLU 48 far 0 61 0 - 9.7-11.8 QG1 VAL 78 - HG3 GLU 99 far 0 42 0 - 9.7-14.9 QD2 LEU 2 - HG3 GLU 99 far 0 61 0 - 10.0-14.1 Violated in 12 structures by 0.41 A. Peak 9044 from cnoeabs.peaks (0.70, 2.43, 35.74 ppm; 4.29 A): 2 out of 10 assignments used, quality = 1.00: QD1 ILE 52 + HG3 GLU 48 OK 100 100 100 100 2.2-4.3 9175=77, 9177/3.0=66...(24) QD1 LEU 14 + HG3 GLU 17 OK 24 67 40 88 4.5-7.7 4.0/8478=28, 9103/3.0=23...(13) QD2 LEU 14 - HG3 GLU 17 far 8 83 10 - 4.8-7.3 QD2 LEU 27 - HG3 GLU 99 far 0 57 0 - 7.2-11.0 HG3 ARG 81 - HG3 GLU 99 far 0 42 0 - 8.3-12.5 QD2 LEU 27 - HG3 GLU 48 far 0 81 0 - 8.5-11.5 QG1 VAL 5 - HG3 GLU 99 far 0 61 0 - 9.1-13.0 QG2 VAL 78 - HG3 GLU 99 far 0 68 0 - 9.2-14.5 QG2 VAL 78 - HG3 GLU 48 far 0 92 0 - 9.4-13.4 QG1 VAL 5 - HG3 GLU 17 far 0 65 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 9045 from cnoeabs.peaks (2.95, 2.43, 35.74 ppm; 4.70 A): 3 out of 13 assignments used, quality = 0.67: HE2 LYS 47 + HG3 GLU 48 OK 35 92 50 75 2.9-8.7 3.8/10183=32...(7) HE3 LYS 90 + HG3 GLU 17 OK 31 74 45 94 3.3-7.8 11024/1.8=74...(16) HE3 LYS 47 + HG3 GLU 48 OK 28 92 40 75 3.5-8.7 3.8/10183=32...(7) HE2 LYS 13 - HG3 GLU 17 far 12 83 15 - 4.4-9.4 HB3 PHE 45 - HG3 GLU 48 far 10 98 10 - 5.2-7.5 HE3 LYS 13 - HG3 GLU 17 far 0 84 0 - 5.7-9.6 HB2 PHE 45 - HG3 GLU 48 far 0 79 0 - 6.4-8.5 HG2 MET 21 - HG3 GLU 17 far 0 78 0 - 6.9-10.8 HB2 ASN 51 - HG3 GLU 48 far 0 99 0 - 7.9-11.0 HE2 LYS 94 - HG3 GLU 99 far 0 48 0 - 7.9-12.7 HB2 SER 9 - HG3 GLU 17 far 0 47 0 - 8.7-11.2 HE3 LYS 12 - HG3 GLU 17 far 0 80 0 - 8.8-13.4 HE2 LYS 24 - HG3 GLU 17 far 0 82 0 - 9.7-15.5 Violated in 8 structures by 0.32 A. Peak 9049 from cnoeabs.peaks (2.41, 4.24, 59.37 ppm; 5.35 A): 2 out of 4 assignments used, quality = 0.85: HG2 GLN 50 + HA SER 49 OK 76 97 80 98 4.6-6.9 2.9/9051=72, 5.1/2262=67...(8) HG3 GLN 50 + HA SER 49 OK 37 95 40 98 4.6-7.2 2.9/9051=72, 5.1/2262=67...(9) HG3 GLU 48 - HA SER 49 far 5 96 5 - 5.9-7.1 HG3 MET 1 - HA SER 49 far 0 100 0 - 8.6-11.3 Violated in 10 structures by 0.17 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 4.4-5.7 1.8/9052=100...(25) HB2 TYR 4 - HA SER 49 far 0 100 0 - 7.8-11.1 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 4 assignments used, quality = 0.99: HB3 GLN 50 + HA SER 49 OK 99 100 100 99 5.2-5.6 6814/2262=81...(11) HB3 GLU 75 - HA SER 49 far 0 99 0 - 7.8-10.1 HG2 MET 1 - HA SER 49 far 0 93 0 - 7.9-11.5 HG3 GLU 75 - HA SER 49 far 0 100 0 - 9.9-12.6 Violated in 20 structures by 0.24 A. Peak 9052 from cnoeabs.peaks (2.02, 4.24, 59.37 ppm; 4.97 A): 1 out of 6 assignments used, quality = 0.79: HB3 GLU 48 + HA SER 49 OK 79 79 100 100 4.0-4.9 6800/2.9=63...(19) HB2 GLN 50 - HA SER 49 far 10 100 10 - 5.4-6.5 QE MET 74 - HA SER 49 far 0 95 0 - 8.3-10.1 HB2 GLU 44 - HA SER 49 far 0 94 0 - 8.9-11.7 HB3 GLU 44 - HA SER 49 far 0 94 0 - 9.2-12.1 HB3 MET 1 - HA SER 49 far 0 96 0 - 9.9-12.9 Violated in 0 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 = 0.99: HB ILE 52 + HA SER 49 OK 99 99 100 100 2.1-4.8 2.1/9057=70, 10646=63...(23) HG3 LYS 47 - HA SER 49 far 0 57 0 - 6.3-9.4 HB ILE 76 - HA SER 49 far 0 94 0 - 6.3-8.1 HB3 LYS 53 - HA SER 49 far 0 88 0 - 8.1-10.1 HB2 LEU 2 - HA SER 49 far 0 59 0 - 8.2-10.9 HD3 LYS 47 - HA SER 49 far 0 93 0 - 8.3-10.4 HD2 LYS 47 - HA SER 49 far 0 94 0 - 8.3-10.9 Violated in 3 structures by 0.03 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 4.4-6.6 2.1/9058=94, 1.8/9055=90...(21) HG13 ILE 76 + HA SER 49 OK 62 88 70 100 4.7-8.3 9064/3.0=74, 3.2/9056=61...(14) HG2 LYS 53 - HA SER 49 poor 20 100 20 - 6.3-8.3 HG2 LYS 47 - HA SER 49 far 4 73 5 - 6.7-9.1 HG3 LYS 53 - HA SER 49 far 0 99 0 - 7.3-9.5 HD2 LYS 53 - HA SER 49 far 0 100 0 - 8.3-10.3 Violated in 0 structures by 0.00 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 4.1-6.3 2.1/9058=88, 3.0/9053=82...(18) Violated in 6 structures by 0.08 A. Peak 9056 from cnoeabs.peaks (0.86, 4.24, 59.37 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.95: QG2 ILE 76 + HA SER 49 OK 93 94 100 99 3.2-4.8 9071/3.0=71, 9065/3.0=68...(17) QD1 LEU 2 + HA SER 49 OK 32 95 35 96 5.0-7.7 12293/9051=42...(14) QD2 LEU 103 - HA SER 49 far 0 59 0 - 8.0-17.8 QD1 LEU 103 - HA SER 49 far 0 100 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 9057 from cnoeabs.peaks (0.75, 4.24, 59.37 ppm; 4.84 A): 1 out of 6 assignments used, quality = 0.87: QG2 ILE 52 + HA SER 49 OK 87 87 100 100 1.9-3.9 2.1/9053=80, 9072/3.0=69...(25) QG1 VAL 78 - HA SER 49 far 0 99 0 - 6.2-9.8 QG2 VAL 78 - HA SER 49 far 0 71 0 - 6.4-10.4 QD2 LEU 42 - HA SER 49 far 0 98 0 - 6.9-8.9 QG1 VAL 54 - HA SER 49 far 0 100 0 - 7.7-9.8 QD1 LEU 6 - HA SER 49 far 0 96 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 9058 from cnoeabs.peaks (0.68, 4.24, 59.37 ppm; 4.86 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 52 + HA SER 49 OK 99 99 100 100 2.4-4.2 3.2/9053=67, 3.1/9057=66...(25) QG2 VAL 54 - HA SER 49 far 8 77 10 - 5.3-7.3 QG2 VAL 78 - HA SER 49 far 0 63 0 - 6.4-10.4 QD1 LEU 42 - HA SER 49 far 0 100 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 9060 from cnoeabs.peaks (2.07, 3.98, 63.02 ppm; 6.35 A): 3 out of 7 assignments used, quality = 0.98: HB2 GLU 98 + HB3 SER 97 OK 87 90 100 97 4.3-6.5 3.0/11023=68, ~11022=57...(6) HB3 GLU 98 + HB3 SER 97 OK 67 88 80 95 5.3-7.4 3.0/11023=68, ~11022=57...(5) QE MET 21 + HB3 SER 97 OK 54 73 100 74 5.1-6.9 8551/10073=46...(5) HB2 GLU 99 - HB3 SER 97 poor 18 88 55 37 6.2-9.6 10062/4356=27, 3.9/7598=12 HB3 GLU 99 - HB3 SER 97 far 4 79 5 - 6.9-9.6 HG12 ILE 93 - HB3 SER 97 far 0 79 0 - 7.3-9.8 HB2 MET 21 - HB3 SER 97 far 0 96 0 - 7.5-10.7 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 = 0.81: HB3 ARG 46 + HB2 SER 49 OK 61 98 65 95 5.3-7.5 ~10174=74, ~2270=25...(11) HB2 ARG 46 + HB2 SER 49 OK 52 100 55 95 4.7-7.5 ~10174=74, 10179/9064=26...(9) QE MET 74 - HB2 SER 49 far 0 77 0 - 6.9-11.4 HB2 LYS 47 - HB2 SER 49 far 0 100 0 - 7.1-9.2 HB3 MET 74 - HB2 SER 49 far 0 99 0 - 7.2-11.4 QE MET 1 - HB2 SER 49 far 0 100 0 - 8.1-10.3 HB2 GLU 44 - HB2 SER 49 far 0 79 0 - 9.6-12.6 HB3 GLU 44 - HB2 SER 49 far 0 79 0 - 9.9-12.6 Violated in 9 structures by 0.19 A. Peak 9063 from cnoeabs.peaks (1.66, 4.06, 63.12 ppm; 5.68 A): 2 out of 6 assignments used, quality = 0.88: HB ILE 52 + HB2 SER 49 OK 83 98 85 100 4.2-7.0 2.1/9066=99, 9053/3.0=86...(16) HB ILE 76 + HB2 SER 49 OK 29 98 30 100 5.3-10.4 2.1/9065=98, ~9071=76...(11) HG3 LYS 47 - HB2 SER 49 far 0 68 0 - 7.1-9.8 HD2 LYS 47 - HB2 SER 49 far 0 88 0 - 7.9-11.6 HD3 LYS 47 - HB2 SER 49 far 0 87 0 - 8.9-11.0 HB3 LYS 53 - HB2 SER 49 far 0 81 0 - 9.6-12.9 Violated in 6 structures by 0.19 A. Peak 9064 from cnoeabs.peaks (1.46, 4.06, 63.12 ppm; 5.55 A): 1 out of 6 assignments used, quality = 0.56: HG13 ILE 76 + HB2 SER 49 OK 56 81 70 99 3.3-8.0 3.2/9065=86, ~9071=61...(11) HG13 ILE 52 - HB2 SER 49 far 10 100 10 - 6.3-8.8 HG2 LYS 47 - HB2 SER 49 far 0 82 0 - 7.3-9.6 HG2 LYS 53 - HB2 SER 49 far 0 100 0 - 7.7-10.8 HG3 LYS 53 - HB2 SER 49 far 0 100 0 - 8.4-12.0 HD2 LYS 53 - HB2 SER 49 far 0 100 0 - 9.4-12.9 Violated in 13 structures by 0.73 A. Peak 9065 from cnoeabs.peaks (0.88, 4.06, 63.12 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.68: QG2 ILE 76 + HB2 SER 49 OK 68 100 70 98 2.6-7.1 9071/1.8=62, 9638=44...(14) QD1 LEU 2 - HB2 SER 49 far 0 100 0 - 6.7-8.7 QD1 LEU 103 - HB2 SER 49 far 0 94 0 - 9.2-20.1 Violated in 11 structures by 0.58 A. Peak 9066 from cnoeabs.peaks (0.78, 4.06, 63.12 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.85: QG2 ILE 52 + HB2 SER 49 OK 85 100 85 100 3.1-6.4 9072/1.8=76, 9057/3.0=36...(21) QD1 ILE 76 - HB2 SER 49 far 9 88 10 - 3.9-8.2 QG1 VAL 78 - HB2 SER 49 far 0 73 0 - 6.1-12.0 QD2 LEU 2 - HB2 SER 49 far 0 75 0 - 6.1-8.0 QD2 LEU 42 - HB2 SER 49 far 0 99 0 - 6.2-10.9 QG1 VAL 54 - HB2 SER 49 far 0 96 0 - 8.9-12.1 QD1 LEU 6 - HB2 SER 49 far 0 100 0 - 9.8-13.8 Violated in 7 structures by 0.38 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 4.1-5.9 3.1/9066=96, 9073/1.8=89...(19) QG2 VAL 54 - HB2 SER 49 poor 16 82 20 - 6.4-9.6 QG2 VAL 78 - HB2 SER 49 far 3 57 5 - 6.4-12.7 QD1 LEU 42 - HB2 SER 49 far 0 100 0 - 8.2-12.7 Violated in 0 structures by 0.00 A. Peak 9068 from cnoeabs.peaks (1.99, 3.86, 63.12 ppm; 6.19 A): 4 out of 9 assignments used, quality = 1.00: HB2 ARG 46 + HB3 SER 49 OK 95 96 100 99 4.0-6.9 3.0/10174=85, ~9062=42...(11) HB3 ARG 46 + HB3 SER 49 OK 76 77 100 99 4.5-6.1 3.0/10174=85...(11) HB2 LYS 47 + HB3 SER 49 OK 54 91 75 80 6.6-7.7 6782/10622=69, 4.0/6757=33 HB2 GLN 50 + HB3 SER 49 OK 38 70 55 99 6.2-7.5 ~9051=69, 4.6/9108=68...(8) QE MET 74 - HB3 SER 49 far 0 98 0 - 7.6-10.1 HB3 MET 74 - HB3 SER 49 far 0 82 0 - 8.0-11.0 QE MET 1 - HB3 SER 49 far 0 98 0 - 8.7-10.7 HB2 GLU 44 - HB3 SER 49 far 0 99 0 - 9.8-11.7 HB3 GLU 44 - HB3 SER 49 far 0 99 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 9069 from cnoeabs.peaks (1.68, 3.86, 63.12 ppm; 5.87 A): 1 out of 4 assignments used, quality = 0.99: HB ILE 52 + HB3 SER 49 OK 99 99 100 100 4.7-6.8 2.1/9072=100, ~9066=87...(18) HB ILE 76 - HB3 SER 49 far 7 65 10 - 6.6-9.0 HD2 LYS 47 - HB3 SER 49 far 5 100 5 - 6.6-10.2 HD3 LYS 47 - HB3 SER 49 far 0 100 0 - 7.9-9.5 Violated in 4 structures by 0.13 A. Peak 9070 from cnoeabs.peaks (1.45, 3.86, 63.12 ppm; 6.50 A): 2 out of 5 assignments used, quality = 0.94: HG13 ILE 76 + HB3 SER 49 OK 89 99 90 100 4.2-8.5 3.2/9071=95, 9064/1.8=87...(15) HG13 ILE 52 + HB3 SER 49 OK 44 99 45 100 6.8-8.3 3.2/9072=99, 2.1/9073=94...(17) QB ALA 71 - HB3 SER 49 far 0 63 0 - 8.8-11.4 HG2 LYS 53 - HB3 SER 49 far 0 96 0 - 9.0-10.8 HG3 LYS 53 - HB3 SER 49 far 0 91 0 - 9.9-12.0 Violated in 2 structures by 0.05 A. Peak 9071 from cnoeabs.peaks (0.86, 3.86, 63.12 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.70: QG2 ILE 76 + HB3 SER 49 OK 70 94 75 100 3.9-5.8 9065/1.8=76...(19) QD1 LEU 2 - HB3 SER 49 far 0 95 0 - 6.6-9.0 QD2 LEU 103 - HB3 SER 49 far 0 59 0 - 8.3-20.0 Violated in 14 structures by 0.45 A. Peak 9072 from cnoeabs.peaks (0.77, 3.86, 63.12 ppm; 4.08 A): 1 out of 6 assignments used, quality = 0.85: QG2 ILE 52 + HB3 SER 49 OK 85 100 85 100 4.0-5.7 9066/1.8=75, 9165=68...(22) QD1 ILE 76 - HB3 SER 49 far 4 79 5 - 4.9-7.2 QD2 LEU 2 - HB3 SER 49 far 0 63 0 - 6.2-8.0 QG1 VAL 78 - HB3 SER 49 far 0 84 0 - 7.0-11.3 QD2 LEU 42 - HB3 SER 49 far 0 100 0 - 7.3-9.6 QG1 VAL 54 - HB3 SER 49 far 0 99 0 - 9.6-11.1 Violated in 19 structures by 0.44 A. Peak 9073 from cnoeabs.peaks (0.68, 3.86, 63.12 ppm; 5.66 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 52 + HB3 SER 49 OK 96 96 100 100 4.3-5.4 3.1/9072=92, 9058/3.0=82...(21) QG2 VAL 54 - HB3 SER 49 far 0 87 0 - 7.1-8.7 QD1 LEU 42 - HB3 SER 49 far 0 99 0 - 9.1-11.3 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 = 0.97: HA GLN 50 + HB2 SER 49 OK 93 100 100 93 4.4-5.6 6828/9109=49, ~2262=47...(7) HA ILE 76 + HB2 SER 49 OK 48 70 70 98 3.1-8.0 3.2/9065=75, 3.8/9064=51...(9) HA GLU 48 + HB2 SER 49 OK 21 70 30 100 4.5-6.2 6798/3.9=55...(14) HA MET 74 - HB2 SER 49 far 0 99 0 - 8.6-12.1 Violated in 0 structures by 0.00 A. Peak 9075 from cnoeabs.peaks (4.40, 4.24, 59.37 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.99: HA GLN 50 + HA SER 49 OK 99 100 100 99 4.4-5.0 3.0/2262=74, 3.0/9051=46...(11) HA GLU 48 + HA SER 49 OK 52 81 65 100 4.4-5.4 6798/2.9=63...(23) HA ILE 76 - HA SER 49 poor 18 81 25 87 4.5-6.5 3.2/9056=36, ~9065=27...(12) HA MET 74 - HA SER 49 far 0 100 0 - 9.8-12.3 Violated in 12 structures by 0.04 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 4.4-4.9 10189=96, 6795/2.9=87...(18) HE22 GLN 50 - HA SER 49 poor 18 91 20 - 5.1-8.6 H GLU 44 - HA SER 49 far 0 100 0 - 9.3-10.8 Violated in 3 structures by 0.01 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 2.7-4.8 6860/9053=70...(12) H LYS 47 + HA SER 49 OK 73 96 80 95 5.6-6.7 6780/10189=71...(8) HE ARG 46 - HA SER 49 far 9 95 10 - 5.5-9.6 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 5.2-6.3 6795/3.9=89...(12) HE22 GLN 50 + HB2 SER 49 OK 43 99 60 72 4.7-9.2 9096/9074=37...(5) H GLU 44 - HB2 SER 49 far 0 98 0 - 8.8-11.7 Violated in 2 structures by 0.01 A. Peak 9080 from cnoeabs.peaks (7.62, 3.86, 63.12 ppm; 5.78 A): 2 out of 3 assignments used, quality = 1.00: H GLU 48 + HB3 SER 49 OK 100 100 100 100 4.4-5.3 10622=98, 6795/6805=94...(16) HE22 GLN 50 + HB3 SER 49 OK 35 100 50 70 4.5-8.6 9085/4.3=30, 9079/1.8=26...(5) H GLU 44 - HB3 SER 49 far 0 94 0 - 9.2-10.8 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 2.2-4.1 3.5=100 H GLU 48 - HG3 GLN 50 far 5 99 5 - 5.1-9.2 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 2.1-3.5 3.5=100 H GLU 48 - HG2 GLN 50 far 0 99 0 - 6.0-9.7 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 2.1-4.3 5.7=39, 3.5/2278=34...(7) H GLU 48 - HA GLN 50 far 0 99 0 - 7.5-8.1 Violated in 4 structures by 0.02 A. Peak 9098 from cnoeabs.peaks (0.83, 2.40, 33.91 ppm; 6.39 A): 1 out of 12 assignments used, quality = 0.83: QD2 LEU 2 + HG2 GLN 50 OK 83 93 90 99 4.6-7.9 ~10629=72, ~12293=72...(10) QD1 ILE 76 - HG2 GLN 72 far 8 51 15 - 7.0-8.8 QD2 LEU 103 - HG2 GLN 72 far 0 71 0 - 7.3-17.1 QD1 LEU 38 - HG2 GLN 72 far 0 43 0 - 7.3-10.1 QD2 LEU 70 - HG2 GLN 72 far 0 60 0 - 7.4-9.2 QD1 LEU 70 - HG2 GLN 72 far 0 67 0 - 7.7-9.4 QD1 LEU 103 - HG2 GLN 72 far 0 38 0 - 8.0-18.4 QD2 LEU 103 - HG2 GLN 50 far 0 100 0 - 8.3-18.4 QD1 ILE 76 - HG2 GLN 50 far 0 82 0 - 8.6-11.3 QD2 LEU 64 - HG2 GLN 72 far 0 41 0 - 9.1-10.4 QD2 LEU 38 - HG2 GLN 72 far 0 70 0 - 9.2-11.7 QD1 LEU 103 - HG2 GLN 50 far 0 63 0 - 9.3-18.7 Violated in 7 structures by 0.24 A. Peak 9100 from cnoeabs.peaks (0.78, 2.43, 33.91 ppm; 5.61 A): 2 out of 12 assignments used, quality = 0.78: QD2 LEU 2 + HG3 GLN 50 OK 55 75 75 97 4.5-7.7 ~10629=58, ~12293=58...(10) QG1 VAL 78 + HG2 GLN 72 OK 51 69 85 88 4.3-6.8 10210/9568=54...(6) QG2 ILE 52 - HG3 GLN 50 poor 20 100 20 - 4.9-8.3 QD2 LEU 42 - HG2 GLN 72 poor 19 95 20 - 5.9-8.3 QD1 LEU 64 - HG2 GLN 72 far 0 61 0 - 6.8-8.5 QD1 ILE 76 - HG2 GLN 72 far 0 83 0 - 7.0-8.8 QD2 LEU 70 - HG2 GLN 72 far 0 72 0 - 7.4-9.2 QD1 LEU 70 - HG2 GLN 72 far 0 57 0 - 7.7-9.4 QG1 VAL 54 - HG2 GLN 72 far 0 91 0 - 8.4-11.3 QG2 ILE 52 - HG2 GLN 72 far 0 98 0 - 9.2-11.5 QD1 LEU 6 - HG2 GLN 72 far 0 97 0 - 9.2-11.6 QD1 ILE 76 - HG3 GLN 50 far 0 88 0 - 9.4-11.9 Violated in 3 structures by 0.03 A. Peak 9103 from cnoeabs.peaks (0.70, 2.02, 28.95 ppm; 4.85 A): 2 out of 16 assignments used, quality = 0.87: QD2 LEU 14 + HB3 GLU 17 OK 72 83 100 86 4.1-5.7 4.0/593=49, 8400/4.6=19...(11) QD1 LEU 14 + HB3 GLU 17 OK 55 77 95 76 4.4-5.8 4.0/593=49, 10431/3.0=22...(7) QD1 ILE 52 - HB2 GLU 44 poor 18 51 35 - 5.2-7.4 QD1 ILE 52 - HB3 GLU 44 far 8 51 15 - 5.6-7.3 QD1 ILE 52 - HB2 GLN 50 far 5 100 5 - 5.3-8.0 QD2 LEU 6 - HB2 GLU 44 far 0 49 0 - 5.9-8.3 QD2 LEU 6 - HB3 GLU 44 far 0 49 0 - 7.1-8.9 QD1 LEU 42 - HB2 GLU 44 far 0 50 0 - 7.4-8.7 QD2 LEU 27 - HB2 GLU 98 far 0 25 0 - 7.4-8.5 QG1 VAL 5 - HB3 GLU 17 far 0 61 0 - 8.0-9.7 QG2 VAL 78 - HB2 GLU 44 far 0 38 0 - 8.0-11.3 QD2 LEU 27 - HB3 GLU 98 far 0 26 0 - 8.0-9.3 QD1 LEU 42 - HB3 GLU 44 far 0 50 0 - 8.6-9.3 QD1 ILE 56 - HB2 GLU 44 far 0 49 0 - 9.0-12.4 QG2 VAL 78 - HB3 GLU 44 far 0 38 0 - 9.3-12.3 QG1 VAL 5 - HB2 GLU 98 far 0 28 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9111 from cnoeabs.peaks (2.00, 2.95, 39.58 ppm; 4.85 A): 3 out of 4 assignments used, quality = 1.00: HB3 MET 1 + HB2 ASN 51 OK 95 100 95 100 2.4-6.0 3.0/9131=71, 4.2/8030=61...(16) QE MET 1 + HB2 ASN 51 OK 88 88 100 100 1.9-2.8 8030=84, 8032/3.0=66...(15) HB2 GLN 50 + HB2 ASN 51 OK 72 87 85 97 5.2-6.8 4.6/6835=61, ~12284=42...(12) HB3 GLU 99 - HB2 ASN 51 far 0 61 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 9114 from cnoeabs.peaks (2.30, 2.67, 39.58 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.22: HB2 GLU 48 + HB3 ASN 51 OK 22 100 30 73 4.8-7.0 9038/10631=34...(6) HG2 GLU 48 - HB3 ASN 51 far 0 77 0 - 6.7-9.9 Violated in 20 structures by 1.38 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 3.3-4.2 8030/1.8=87, 8032/3.0=73...(12) HB3 MET 1 + HB3 ASN 51 OK 67 96 70 100 3.2-6.9 3.0/8006=63, ~8005=49...(26) HB2 GLN 50 + HB3 ASN 51 OK 64 65 100 97 3.7-5.3 4.6/6836=60...(12) Violated in 0 structures by 0.00 A. Peak 9116 from cnoeabs.peaks (0.79, 2.67, 39.58 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.95: QD2 LEU 2 + HB3 ASN 51 OK 95 96 100 100 2.6-4.5 2.1/10631=71...(15) QG2 ILE 52 - HB3 ASN 51 poor 19 97 20 - 5.1-6.3 QD2 LEU 103 - HB3 ASN 51 far 0 70 0 - 7.7-16.1 QD1 LEU 27 - HB3 ASN 51 far 0 87 0 - 9.8-12.0 Violated in 0 structures by 0.00 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 2.2-4.6 8005=91, 8006/1.8=74...(15) Violated in 1 structures by 0.00 A. Peak 9132 from cnoeabs.peaks (4.44, 2.95, 39.58 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.82: HA LEU 2 + HB2 ASN 51 OK 82 87 100 94 5.7-7.3 8002/9131=61...(5) HA GLU 48 - HB2 ASN 51 far 10 99 10 - 7.2-10.1 Violated in 17 structures by 0.37 A. Peak 9134 from cnoeabs.peaks (4.16, 2.67, 39.58 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: HA MET 1 + HB3 ASN 51 OK 100 100 100 100 2.4-4.7 8006=99, 8005/1.8=90...(23) Violated in 0 structures by 0.00 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 3.9-6.2 9143/3.2=67, ~9137=54...(26) QE TYR 4 + HA ILE 52 OK 94 94 100 100 3.6-5.4 9137/3.0=70...(19) 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 4.6-4.6 6854/3.0=81, ~6839=66...(14) HA LYS 53 + HA ILE 52 OK 65 65 100 100 4.4-4.5 3.0/6868=100...(11) HA LYS 53 - HA THR 80 far 0 38 0 - 9.5-10.6 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 3.7-5.2 14596/2.1=49, ~9143=41...(24) QD TYR 4 + HB ILE 52 OK 39 98 40 100 4.7-6.3 9143/2.1=61, 9148/3.2=36...(30) Violated in 8 structures by 0.07 A. Peak 9143 from cnoeabs.peaks (6.43, 0.78, 17.78 ppm; 3.33 A): 2 out of 2 assignments used, quality = 0.81: QD TYR 4 + QG2 ILE 52 OK 72 100 75 96 3.2-5.6 2.2/14596=28...(30) QE TYR 4 + QG2 ILE 52 OK 33 98 35 95 3.6-4.8 14596=32, 9142/2.1=28...(26) Violated in 18 structures by 0.39 A. Peak 9144 from cnoeabs.peaks (6.68, 0.78, 17.78 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.88: QD PHE 45 + QG2 ILE 52 OK 88 88 100 100 3.6-5.8 9147/3.1=81, 3.7/8996=73...(13) Violated in 3 structures by 0.09 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 2.0-4.1 8039/8051=56...(23) QD TYR 4 + HG12 ILE 52 OK 97 97 100 100 2.7-5.2 9143/3.2=55, 2.2/8156=48...(27) Violated in 0 structures by 0.00 A. Peak 9146 from cnoeabs.peaks (6.43, 1.46, 27.19 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: QD TYR 4 + HG13 ILE 52 OK 100 100 100 100 2.1-4.2 9143/3.2=55, 9148/2.1=44...(32) QE TYR 4 + HG13 ILE 52 OK 98 98 100 100 2.0-3.2 8157/12039=49...(25) QD TYR 4 - HG LEU 29 far 0 68 0 - 7.1-7.9 QE TYR 4 - HG LEU 29 far 0 63 0 - 9.1-10.0 Violated in 0 structures by 0.00 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 2.2-3.5 3.7/9170=53, 9144/3.1=45...(15) 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 99 100 100 99 1.8-3.1 8039/12275=32, 14597=30...(28) QD TYR 4 + QD1 ILE 52 OK 98 99 100 99 2.8-4.2 9143/3.1=41, 14577=30...(30) Violated in 0 structures by 0.00 A. Peak 9149 from cnoeabs.peaks (7.61, 0.69, 14.38 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: H GLU 48 + QD1 ILE 52 OK 100 100 100 100 2.7-3.1 9036=99, 6792/9177=86...(23) HE22 GLN 50 - QD1 ILE 52 far 15 99 15 - 5.0-10.0 H GLU 44 - QD1 ILE 52 far 15 99 15 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 9150 from cnoeabs.peaks (7.72, 0.69, 14.38 ppm; 5.55 A): 1 out of 4 assignments used, quality = 0.99: H SER 49 + QD1 ILE 52 OK 99 99 100 100 2.1-4.8 9048=99, 2.9/9058=80...(23) HD22 ASN 51 - QD1 ILE 52 far 0 73 0 - 7.4-8.8 H VAL 78 - QD1 ILE 52 far 0 63 0 - 7.6-8.7 H MET 74 - QD1 ILE 52 far 0 79 0 - 9.8-11.5 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 2 assignments used, quality = 0.97: H ARG 46 + QD1 ILE 52 OK 97 97 100 100 3.9-4.7 3.0/9512=86, 3.6/9170=80...(14) H GLU 75 - QD1 ILE 52 far 0 59 0 - 9.6-11.3 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 2 assignments used, quality = 1.00: H PHE 45 + QD1 ILE 52 OK 100 100 100 100 4.2-4.7 3.0/9170=96...(12) H LEU 103 - QD1 ILE 52 far 0 88 0 - 10.0-16.8 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 3.3-4.4 9307=100, 2.1/9302=94...(25) QD1 ILE 7 - HA THR 80 far 0 53 0 - 8.5-9.9 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 3 assignments used, quality = 0.84: QD1 LEU 55 + HA THR 80 OK 62 62 100 100 3.2-4.8 9258=85, 6919/9299=74...(16) HG2 ARG 81 + HA THR 80 OK 57 68 85 99 3.5-6.4 4.9/7311=65...(12) QD1 LEU 55 - HA ILE 52 far 0 96 0 - 9.7-10.9 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 3.4-5.2 8102=99, 9182/6868=86...(13) QD2 LEU 3 - HA THR 80 far 0 68 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9158 from cnoeabs.peaks (1.32, 5.34, 59.36 ppm; 4.38 A): 3 out of 7 assignments used, quality = 0.95: HB3 LEU 2 + HA ILE 52 OK 77 96 80 100 4.4-6.1 1.8/8046=74, 8047=65...(21) QB ALA 67 + HA THR 80 OK 59 60 100 99 3.8-4.4 9732/3.2=54...(13) HG LEU 3 + HA ILE 52 OK 46 93 50 98 4.3-5.9 2.1/8102=51...(15) HG3 LYS 68 - HA THR 80 far 7 45 15 - 4.8-8.2 HB2 LYS 82 - HA THR 80 far 0 53 0 - 6.4-7.4 HB3 LEU 27 - HA ILE 52 far 0 84 0 - 8.6-10.0 QB ALA 89 - HA THR 80 far 0 57 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 9159 from cnoeabs.peaks (1.98, 5.34, 59.36 ppm; 5.25 A): 1 out of 6 assignments used, quality = 1.00: QE MET 1 + HA ILE 52 OK 100 100 100 100 3.6-4.8 8033=100, 8037/3.0=77...(16) HB3 MET 1 - HA ILE 52 far 0 82 0 - 6.3-7.7 HB2 MET 1 - HA ILE 52 far 0 70 0 - 6.4-8.0 HB2 LYS 47 - HA ILE 52 far 0 100 0 - 9.5-11.2 HB VAL 32 - HA THR 80 far 0 40 0 - 9.6-10.8 HB2 ARG 46 - HA ILE 52 far 0 100 0 - 9.8-11.6 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 4 assignments used, quality = 1.00: HG2 MET 1 + HA ILE 52 OK 100 100 100 100 4.3-6.1 8034=100, 3.3/8033=77...(17) HB3 GLN 50 + HA ILE 52 OK 28 88 35 92 6.2-7.8 ~9139=45, 4.0/10200=40...(8) HB2 GLU 63 - HA THR 80 far 0 70 0 - 8.3-9.3 HB3 GLN 72 - HA THR 80 far 0 36 0 - 9.3-11.3 Violated in 2 structures by 0.01 A. Peak 9162 from cnoeabs.peaks (5.15, 0.78, 17.78 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.96: HA VAL 54 + QG2 ILE 52 OK 73 100 80 91 4.8-6.8 ~10208=36, ~9240=36...(16) HA LEU 3 + QG2 ILE 52 OK 65 87 90 84 4.6-6.1 8064/4.3=51, 8105/3.2=32...(9) HA ILE 7 + QG2 ILE 8 OK 56 56 100 99 5.4-5.4 6087/4.0=74, 8299/2.1=57...(14) HA TYR 4 - QG2 ILE 52 far 0 99 0 - 6.6-8.6 Violated in 2 structures by 0.01 A. Peak 9163 from cnoeabs.peaks (4.43, 0.78, 17.78 ppm; 4.61 A): 5 out of 7 assignments used, quality = 0.98: HA SER 9 + QG2 ILE 8 OK 68 68 100 99 3.4-3.6 ~6103=45, ~6102=41...(17) HA ILE 76 + QG2 ILE 52 OK 68 100 100 68 4.0-5.4 3.2/3431=23, ~10640=17...(9) HA VAL 32 + QG2 ILE 8 OK 58 61 95 100 4.9-5.6 ~12200=39, ~12204=36...(29) HA GLN 50 + QG2 ILE 52 OK 32 79 45 89 3.8-6.3 9139/2350=49...(8) HA GLU 48 + QG2 ILE 52 OK 25 100 25 100 4.5-6.7 3.0/10643=70...(24) HA LEU 2 - QG2 ILE 52 far 0 65 0 - 7.2-7.8 HA MET 74 - QG2 ILE 52 far 0 87 0 - 8.8-10.3 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: HA ARG 46 + QG2 ILE 52 OK 95 97 100 98 3.6-5.2 9027/3.1=76...(10) HB2 SER 49 + QG2 ILE 52 OK 90 100 90 100 3.1-6.4 9066=100, 1.8/9072=94...(21) HB3 SER 59 + QG2 ILE 8 OK 26 54 65 74 4.1-6.3 4.0/9396=45, 4.6/9419=32...(6) HA LYS 66 - QG2 ILE 8 far 0 60 0 - 7.7-9.2 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 12 assignments used, quality = 0.90: HB3 SER 49 + QG2 ILE 52 OK 90 100 90 100 4.0-5.7 9072=99, 1.8/9066=90...(22) HA GLU 35 - QG2 ILE 8 poor 19 53 35 - 4.7-6.3 HA ALA 67 - QG2 ILE 8 far 0 66 0 - 6.3-7.5 HA LEU 38 - QG2 ILE 8 far 0 65 0 - 6.5-7.3 HA GLU 43 - QG2 ILE 52 far 0 92 0 - 7.0-8.6 HA ALA 71 - QG2 ILE 52 far 0 95 0 - 7.1-9.2 HB2 SER 102 - QG2 ILE 52 far 0 75 0 - 7.6-14.7 HA2 GLY 101 - QG2 ILE 52 far 0 100 0 - 7.9-12.1 HA3 GLY 101 - QG2 ILE 52 far 0 77 0 - 7.9-11.7 HA LYS 12 - QG2 ILE 8 far 0 67 0 - 8.8-9.5 HA2 GLY 100 - QG2 ILE 52 far 0 100 0 - 8.9-11.2 HA LEU 38 - QG2 ILE 52 far 0 99 0 - 9.6-12.3 Violated in 5 structures by 0.15 A. Peak 9166 from cnoeabs.peaks (2.97, 0.78, 17.78 ppm; 4.10 A): 2 out of 9 assignments used, quality = 1.00: HB3 PHE 45 + QG2 ILE 52 OK 99 100 100 99 2.0-4.3 3.0/8996=61, 2.5/9144=49...(21) HB2 PHE 45 + QG2 ILE 52 OK 91 98 95 99 3.1-5.1 3.0/8996=61, 2.5/9144=49...(21) HB2 SER 9 - QG2 ILE 8 poor 17 56 30 - 4.6-5.4 HB2 ASN 51 - QG2 ILE 52 far 0 87 0 - 5.7-6.6 HE2 LYS 47 - QG2 ILE 52 far 0 100 0 - 6.3-10.1 HE3 LYS 47 - QG2 ILE 52 far 0 100 0 - 7.1-10.2 HB3 ASP 11 - QG2 ILE 8 far 0 53 0 - 8.3-9.7 HE2 LYS 12 - QG2 ILE 8 far 0 36 0 - 9.0-12.9 HE3 LYS 12 - QG2 ILE 8 far 0 68 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 9167 from cnoeabs.peaks (2.40, 0.78, 17.78 ppm; 5.39 A): 1 out of 6 assignments used, quality = 0.38: HG3 GLU 48 + QG2 ILE 52 OK 38 70 55 100 4.0-6.8 3.0/10643=86, ~12316=56...(21) HG2 GLN 50 - QG2 ILE 52 poor 20 100 20 - 4.8-7.5 HG3 GLN 50 - QG2 ILE 52 poor 13 65 20 - 4.9-8.3 HG3 MET 1 - QG2 ILE 52 far 4 88 5 - 6.2-8.4 HB2 ASP 11 - QG2 ILE 8 far 0 36 0 - 8.0-9.3 HG2 GLN 72 - QG2 ILE 52 far 0 79 0 - 9.2-11.5 Violated in 16 structures by 0.72 A. Peak 9168 from cnoeabs.peaks (2.96, 1.04, 27.19 ppm; 5.78 A): 3 out of 5 assignments used, quality = 1.00: HB3 PHE 45 + HG12 ILE 52 OK 99 99 100 100 3.4-5.0 ~9147=77, ~9170=71...(19) HB2 PHE 45 + HG12 ILE 52 OK 80 84 95 100 4.6-6.7 ~9147=77, ~9170=71...(19) HB2 ASN 51 + HG12 ILE 52 OK 71 99 75 95 5.8-7.9 6855/6862=81, ~10634=58...(4) HE2 LYS 47 - HG12 ILE 52 far 0 95 0 - 7.0-11.7 HE3 LYS 47 - HG12 ILE 52 far 0 95 0 - 8.0-12.3 Violated in 0 structures by 0.00 A. Peak 9169 from cnoeabs.peaks (2.95, 1.46, 27.19 ppm; 5.37 A): 3 out of 16 assignments used, quality = 0.98: HB3 PHE 45 + HG13 ILE 52 OK 93 93 100 100 2.3-4.6 ~9147=69, ~9170=63...(20) HB2 PHE 45 + HG13 ILE 52 OK 64 68 95 100 4.0-6.4 ~9147=69, ~9170=63...(19) HE2 LYS 68 + HG LEU 64 OK 29 33 90 98 2.0-6.5 ~10242=39, ~10265=36...(17) HE3 LYS 90 - HG3 ARG 91 poor 16 53 30 - 3.4-11.3 HE2 LYS 94 - HG3 ARG 91 far 6 39 15 - 4.9-10.0 HG2 MET 21 - HG3 ARG 91 far 6 55 10 - 6.0-10.1 HE3 LYS 94 - HG3 ARG 91 far 4 29 15 - 4.2-9.8 HE2 LYS 47 - HG13 ILE 52 far 0 84 0 - 6.3-11.4 HB2 ASN 51 - HG13 ILE 52 far 0 100 0 - 6.6-8.0 HE3 LYS 47 - HG13 ILE 52 far 0 84 0 - 7.4-12.6 HG2 MET 21 - HG LEU 29 far 0 66 0 - 8.2-10.8 HE3 LYS 90 - HG LEU 29 far 0 63 0 - 9.1-14.8 HE2 LYS 73 - HG LEU 38 far 0 92 0 - 9.5-14.8 HE2 LYS 68 - HG LEU 38 far 0 52 0 - 9.6-15.5 HE3 LYS 20 - HG LEU 29 far 0 38 0 - 9.8-13.5 HE2 LYS 20 - HG3 ARG 91 far 0 30 0 - 10.0-18.8 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 1.9-2.8 8997=65, 8996/3.1=54...(20) HA ASP 77 - QD1 ILE 52 far 0 70 0 - 7.0-8.5 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 3.4-4.8 9027=97, 3.0/9151=53...(12) HB2 SER 49 + QD1 ILE 52 OK 80 100 80 100 4.1-5.9 9066/3.1=70, 3.0/9058=57...(18) 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 2.4-4.2 9058=97, 9055/2.1=83...(25) Violated in 0 structures by 0.00 A. Peak 9173 from cnoeabs.peaks (4.44, 0.69, 14.38 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.96: HA GLU 48 + QD1 ILE 52 OK 96 96 100 100 3.8-4.6 3.0/9177=85, 9037=82...(25) HA LEU 2 - QD1 ILE 52 far 9 93 10 - 5.9-7.2 HA ILE 76 - QD1 ILE 52 far 5 96 5 - 5.6-7.3 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 1.8-2.2 2.5/9147=54, 3.0/9170=50...(24) HB2 PHE 45 + QD1 ILE 52 OK 92 94 100 98 2.7-3.6 2.5/9147=54, 3.0/9170=50...(24) HE2 LYS 47 - QD1 ILE 52 far 10 99 10 - 4.0-7.8 HE3 LYS 47 - QD1 ILE 52 far 0 99 0 - 5.1-8.6 HB2 ASN 51 - QD1 ILE 52 far 0 93 0 - 6.5-7.5 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 2.2-4.3 9044=80, 3.0/9177=67...(24) HB3 TYR 4 + QD1 ILE 52 OK 27 81 35 95 4.4-6.6 2.5/9148=41, ~9143=28...(17) HG3 GLN 50 - QD1 ILE 52 far 5 100 5 - 4.7-8.2 HG2 GLN 50 - QD1 ILE 52 far 0 77 0 - 5.5-8.1 HG3 MET 1 - QD1 ILE 52 far 0 98 0 - 6.9-8.7 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 2.4-3.9 1.8/9177=73, 9040=60...(29) HG2 GLU 48 + QD1 ILE 52 OK 85 85 100 100 2.1-4.7 3.0/9177=57, 1.8/9044=53...(23) HB2 TYR 4 + QD1 ILE 52 OK 35 95 40 91 4.1-5.8 2.5/9148=36, ~9143=22...(17) HB2 TYR 41 - QD1 ILE 52 far 0 100 0 - 7.0-8.7 HG3 GLU 43 - QD1 ILE 52 far 0 97 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 9177 from cnoeabs.peaks (2.04, 0.69, 14.38 ppm; 4.02 A): 1 out of 10 assignments used, quality = 0.99: HB3 GLU 48 + QD1 ILE 52 OK 99 99 100 100 1.9-2.4 9041=89, 1.8/9040=58...(25) HB2 GLU 44 - QD1 ILE 52 far 0 59 0 - 5.2-7.4 HB2 GLN 50 - QD1 ILE 52 far 0 96 0 - 5.3-8.0 HB3 GLU 44 - QD1 ILE 52 far 0 59 0 - 5.6-7.3 HG3 GLU 28 - QD1 ILE 52 far 0 87 0 - 6.6-9.2 QE MET 74 - QD1 ILE 52 far 0 61 0 - 7.0-8.1 HG2 GLU 28 - QD1 ILE 52 far 0 87 0 - 7.1-9.7 HB2 MET 74 - QD1 ILE 52 far 0 88 0 - 7.8-9.8 HB3 MET 1 - QD1 ILE 52 far 0 63 0 - 8.0-9.4 HB3 GLU 43 - QD1 ILE 52 far 0 85 0 - 8.0-8.7 Violated in 0 structures by 0.00 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 2.9-3.5 8115=98, 8114/1.8=84...(24) 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 3 assignments used, quality = 1.00: HG LEU 3 + HB3 LYS 53 OK 100 100 100 100 2.8-4.8 2.1/8114=100...(18) HB3 LEU 2 - HB3 LYS 53 far 0 73 0 - 6.7-8.7 QB ALA 25 - HB3 LYS 53 far 0 61 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 9188 from cnoeabs.peaks (0.44, 1.69, 36.45 ppm; 5.38 A): 1 out of 3 assignments used, quality = 0.92: QD1 LEU 3 + HB3 LYS 53 OK 92 92 100 100 4.0-4.7 2.1/8114=100, ~9186=82...(22) QD1 LEU 55 - HB3 LYS 53 far 15 100 15 - 6.0-7.8 HG2 ARG 81 - HB3 LYS 53 far 0 96 0 - 9.6-13.6 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 1.9-2.1 8114=80, 9186/1.8=71...(21) 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 3 assignments used, quality = 0.97: QD1 LEU 3 + HB2 LYS 53 OK 92 92 100 100 5.0-6.0 2.1/9186=100, ~8114=94...(22) QD1 LEU 55 + HB2 LYS 53 OK 65 100 95 69 5.2-6.9 9274/9206=50...(7) HG2 ARG 81 - HB2 LYS 53 far 0 96 0 - 8.7-12.2 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 2.9-4.1 8114/3.0=73, 9186/3.0=66...(30) QD2 LEU 3 + HG3 LYS 53 OK 99 99 100 100 2.0-4.3 8114/3.0=73...(31) 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 2.1-4.4 8114/3.6=59, 9186/3.6=56...(25) Violated in 7 structures by 0.05 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 2.1-4.1 9192/1.8=91...(22) Violated in 0 structures by 0.00 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 3.9-6.6 2.1/9193=91, ~9192=81...(21) QD1 LEU 55 - HD3 LYS 53 far 15 100 15 - 6.2-8.9 HG2 ARG 81 - HD3 LYS 53 far 0 96 0 - 9.3-13.2 Violated in 3 structures by 0.13 A. Peak 9195 from cnoeabs.peaks (0.44, 1.46, 29.44 ppm; 6.06 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 3 + HD2 LYS 53 OK 92 92 100 100 4.2-6.8 2.1/9192=100...(25) QD1 LEU 55 - HD2 LYS 53 far 10 100 10 - 6.3-9.6 QD1 LEU 55 - HB2 ARG 91 far 0 57 0 - 8.1-10.2 HG2 ARG 81 - HB2 ARG 91 far 0 53 0 - 9.0-13.3 Violated in 7 structures by 0.12 A. Peak 9197 from cnoeabs.peaks (0.43, 2.83, 41.80 ppm; 6.50 A): 2 out of 9 assignments used, quality = 0.94: QD1 LEU 3 + HE2 LYS 53 OK 75 75 100 100 4.6-7.3 9194/3.0=85, ~9192=83...(20) QD1 LEU 3 + HE3 LYS 53 OK 75 75 100 100 4.6-7.1 9194/3.0=85, ~9192=83...(19) QD1 LEU 55 - HE3 LYS 53 far 15 100 15 - 6.5-9.7 QD1 LEU 55 - HE2 LYS 53 far 10 100 10 - 6.1-10.2 HG2 ARG 81 - HE3 LYS 82 far 0 48 0 - 8.3-9.9 QD1 LEU 55 - HE3 LYS 82 far 0 48 0 - 9.0-10.8 HG2 ARG 81 - HE2 LYS 53 far 0 100 0 - 9.4-15.7 HG2 ARG 81 - HE3 LYS 53 far 0 100 0 - 9.4-15.4 QD1 LEU 55 - HE2 LYS 90 far 0 84 0 - 9.7-13.1 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 = 0.98: QD2 LEU 3 + HE2 LYS 53 OK 89 99 90 100 2.3-5.1 9192/3.0=57, 8098=40...(22) QD2 LEU 3 + HE3 LYS 53 OK 84 99 85 100 2.9-5.0 9192/3.0=57, 9193/3.0=39...(21) Violated in 6 structures by 0.05 A. Peak 9199 from cnoeabs.peaks (0.78, 5.04, 55.43 ppm; 4.28 A): 2 out of 10 assignments used, quality = 1.00: QG2 ILE 52 + HA LYS 53 OK 100 100 100 100 3.0-4.1 6870/3.0=45, 10637=41...(26) QG1 VAL 78 + HA LYS 53 OK 51 65 90 86 3.7-5.2 3.2/11102=48, 9230=32...(6) QD2 LEU 2 - HA LYS 53 far 0 82 0 - 5.2-6.2 QG1 VAL 54 - HA LYS 53 far 0 92 0 - 5.3-5.5 QD2 LEU 42 - HA LYS 53 far 0 96 0 - 6.0-7.5 QD1 ILE 76 - HA LYS 53 far 0 93 0 - 7.1-8.3 QD1 LEU 6 - HA LYS 53 far 0 99 0 - 7.5-8.8 QD1 LEU 27 - HA LYS 53 far 0 98 0 - 7.7-8.8 QD2 LEU 57 - HA LYS 53 far 0 97 0 - 9.2-9.7 QG2 ILE 93 - HA LYS 53 far 0 75 0 - 9.7-10.6 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 2 assignments used, quality = 0.99: QG2 VAL 54 + HA LYS 53 OK 99 100 100 100 3.1-3.8 9231=89, 6897/6886=73...(16) QD2 LEU 6 - HA LYS 53 far 0 59 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 9202 from cnoeabs.peaks (5.13, 1.84, 36.45 ppm; 4.69 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 3 + HB2 LYS 53 OK 99 100 100 99 4.6-5.4 125/8115=74, 8064/3.9=63...(11) HA VAL 54 + HB2 LYS 53 OK 84 84 100 100 4.5-4.9 3.0/6887=86...(24) HA VAL 5 - HB2 LYS 53 far 0 82 0 - 7.1-8.1 HA TYR 4 - HB2 LYS 53 far 0 99 0 - 7.5-8.4 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 2.9-4.1 125/8114=79, 8064/3.9=62...(16) HA VAL 54 + HB3 LYS 53 OK 88 88 100 100 4.3-5.0 3.0/6888=74, ~6887=59...(25) HA TYR 4 - HB3 LYS 53 far 0 100 0 - 6.4-7.7 HA VAL 5 - HB3 LYS 53 far 0 77 0 - 6.9-8.3 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 2.4-4.0 9206/1.8=86, 2.2/9205=74...(19) HD21 ASN 51 - HB3 LYS 53 far 0 87 0 - 9.5-11.2 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 2 assignments used, quality = 0.98: HZ PHE 96 + HB3 LYS 53 OK 98 98 100 100 2.3-3.5 2.2/9204=72, 9207/1.8=70...(18) HZ3 TRP 92 - HB3 LYS 53 far 0 99 0 - 9.4-15.0 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 1 assignment used, quality = 1.00: QE PHE 96 + HB2 LYS 53 OK 100 100 100 100 2.7-3.6 9204/1.8=69, 2.2/9207=61...(17) 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 2 assignments used, quality = 0.87: HZ PHE 96 + HB2 LYS 53 OK 87 87 100 100 2.0-3.3 2.2/9206=84, 9205/1.8=81...(14) HZ3 TRP 92 - HB2 LYS 53 far 0 88 0 - 8.4-13.7 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 3.5-4.8 8138=88, 6037/8114=80...(14) 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 5 assignments used, quality = 1.00: QE PHE 96 + HG2 LYS 53 OK 98 98 100 100 5.1-5.9 9206/3.0=72, 9204/3.0=68...(22) QE PHE 96 + HG3 LYS 53 OK 97 97 100 100 4.4-5.5 9206/3.0=72, 9204/3.0=68...(23) HD21 ASN 10 - HG2 LYS 12 far 0 82 0 - 7.0-9.9 HD21 ASN 51 - HG2 LYS 53 far 0 100 0 - 7.4-9.2 HD21 ASN 51 - HG3 LYS 53 far 0 99 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 9211 from cnoeabs.peaks (7.03, 1.46, 25.00 ppm; 5.06 A): 2 out of 4 assignments used, quality = 0.89: HZ PHE 96 + HG2 LYS 53 OK 67 68 100 99 4.6-5.7 ~9206=53, ~9204=50...(18) HZ PHE 96 + HG3 LYS 53 OK 66 66 100 100 4.3-5.4 ~9206=53, ~9204=50...(19) QD PHE 96 - HG3 LYS 53 far 5 100 5 - 5.9-7.2 QD PHE 96 - HG2 LYS 53 far 0 100 0 - 6.8-7.8 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 3.9-6.3 9214/1.8=85, 9206/3.6=76...(19) HE ARG 91 + HB2 ARG 91 OK 36 36 100 100 3.0-5.0 4.6=100 HD21 ASN 51 - HD2 LYS 53 far 0 98 0 - 7.1-10.6 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 5 assignments used, quality = 0.94: HZ PHE 96 + HD2 LYS 53 OK 88 88 100 100 4.1-6.3 ~9214=63, 14649/9192=38...(15) QD PHE 96 + HD2 LYS 53 OK 48 99 50 96 5.5-7.6 ~9214=63, 9215/1.8=45...(10) HZ3 TRP 92 - HB2 ARG 91 far 0 44 0 - 7.3-10.0 QD PHE 96 - HB2 ARG 91 far 0 56 0 - 9.3-11.1 HZ3 TRP 92 - HD2 LYS 53 far 0 87 0 - 9.4-16.7 Violated in 5 structures by 0.07 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 3.3-5.0 9204/2451=67...(19) HD21 ASN 51 - HD3 LYS 53 far 0 100 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 9215 from cnoeabs.peaks (7.04, 1.55, 29.44 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.99: QD PHE 96 + HD3 LYS 53 OK 94 100 95 99 5.0-6.3 2.2/9214=81, ~9212=44...(12) HZ PHE 96 + HD3 LYS 53 OK 79 79 100 100 3.5-5.3 2.2/9214=81, 9213/1.8=52...(17) HZ3 TRP 92 - HD3 LYS 53 far 0 77 0 - 8.6-15.6 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 = 0.51: QE PHE 96 + HE2 LYS 53 OK 32 82 40 98 3.6-6.9 9214/3.0=52, 9212/3.0=32...(17) QE PHE 96 + HE3 LYS 53 OK 28 82 35 98 2.7-6.6 9214/3.0=52, 2.2/9217=34...(18) HE ARG 91 - HE2 LYS 90 poor 16 81 20 - 3.8-12.8 HD21 ASN 51 - HE3 LYS 53 far 0 99 0 - 6.4-11.3 HD21 ASN 51 - HE2 LYS 53 far 0 100 0 - 6.4-11.2 Violated in 14 structures by 0.54 A. Peak 9217 from cnoeabs.peaks (7.07, 2.83, 41.80 ppm; 5.15 A): 2 out of 7 assignments used, quality = 0.66: HZ PHE 96 + HE3 LYS 53 OK 44 100 45 99 4.1-7.2 9205/5.0=53, ~9214=46...(15) HZ PHE 96 + HE2 LYS 53 OK 39 100 40 99 3.4-7.4 9205/5.0=53, ~9214=46...(14) QD PHE 96 - HE2 LYS 53 far 10 63 15 - 4.7-8.6 QD PHE 96 - HE3 LYS 53 far 9 63 15 - 4.5-7.9 HZ3 TRP 92 - HE3 LYS 82 far 0 48 0 - 6.4-13.7 HZ3 TRP 92 - HE3 LYS 53 far 0 100 0 - 9.5-14.3 HZ3 TRP 92 - HE2 LYS 53 far 0 100 0 - 9.7-15.1 Violated in 13 structures by 0.43 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 99 3.0-4.0 9291/6902=66...(14) 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 3 assignments used, quality = 0.99: HZ PHE 96 + HA VAL 54 OK 99 100 100 99 2.6-4.3 2.2/9220=72, 9219/3.0=57...(11) QD PHE 96 + HA VAL 54 OK 41 75 60 91 5.1-5.8 2.2/9220=72, ~9218=36...(11) HZ3 TRP 92 - HA VAL 54 far 0 100 0 - 9.4-12.8 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 = 0.98: QD PHE 45 + QG2 VAL 54 OK 98 99 100 99 1.9-2.8 2.2/9223=61, ~9226=39...(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 2.5-3.5 2.2/9222=79, 9226/2.1=65...(21) 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 2.0-3.4 2.5/9239=66, 2.5/9238=57...(28) QE TYR 4 + QG2 VAL 54 OK 87 100 90 97 3.5-4.9 4.4/9239=41, 4.4/9238=37...(19) Violated in 0 structures by 0.00 A. Peak 9226 from cnoeabs.peaks (6.49, 0.76, 21.39 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.94: QE PHE 45 + QG1 VAL 54 OK 94 95 100 99 1.9-2.9 9223/2.1=58, 2.2/9229=48...(18) QE PHE 45 - QG1 VAL 78 poor 7 75 30 33 3.7-6.4 9223/2502=19...(6) 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 2.8-4.1 8134=67, 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 3.0-4.9 2.2/9223=94, 9229/2.1=83...(17) Violated in 0 structures by 0.00 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 2.6-4.6 2.2/9226=86, 9228/2.1=70...(15) HZ PHE 45 - QG1 VAL 78 far 4 81 5 - 5.6-8.4 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 = 0.94: HA LYS 53 + QG1 VAL 54 OK 81 96 85 99 5.3-5.5 9200/2.1=79, 6886/4.0=71...(11) HA LYS 53 + QG1 VAL 78 OK 70 76 100 92 3.7-5.2 11102/3.2=62...(8) Violated in 13 structures by 0.06 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 3.1-3.8 9200=99, 6886/6897=77...(16) 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 4.5-5.0 6886/6896=99...(14) 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 6 assignments used, quality = 0.97: QG2 ILE 76 + HB VAL 54 OK 97 98 100 99 3.9-5.3 11070/2.1=88...(11) QD1 LEU 38 - HB VAL 54 lone 1 65 40 3 5.0-9.0 326/323=2 QD1 LEU 103 - HB VAL 54 far 0 73 0 - 8.0-18.0 QD1 LEU 2 - HB VAL 54 far 0 97 0 - 8.4-10.7 QG1 VAL 32 - HB VAL 54 far 0 99 0 - 8.8-10.2 HG13 ILE 8 - HB VAL 54 far 0 99 0 - 9.7-12.0 Violated in 5 structures by 0.09 A. Peak 9234 from cnoeabs.peaks (1.42, 1.89, 35.51 ppm; 5.59 A): 2 out of 8 assignments used, quality = 0.99: QB ALA 71 + HB VAL 54 OK 98 99 100 99 4.2-5.4 10835/11104=81...(7) HG13 ILE 52 + HB VAL 54 OK 30 63 50 94 5.4-7.9 ~9240=80, 10208/2.1=38...(7) HB2 LEU 38 - HB VAL 54 far 0 68 0 - 7.3-10.4 HD2 LYS 53 - HB VAL 54 far 0 59 0 - 7.5-9.5 HG13 ILE 76 - HB VAL 54 far 0 96 0 - 7.7-8.8 HG LEU 38 - HB VAL 54 far 0 59 0 - 8.0-11.5 HG LEU 29 - HB VAL 54 far 0 96 0 - 9.3-10.6 QB ALA 22 - HB VAL 54 far 0 96 0 - 9.9-10.6 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 = 0.97: HA PHE 45 + QG2 VAL 54 OK 95 96 100 100 4.4-5.3 3.7/9222=83...(12) HA ASP 77 + QG2 VAL 54 OK 37 71 70 73 5.4-6.5 9676/11070=48...(4) HA PHE 96 - QG2 VAL 54 far 0 87 0 - 9.2-10.0 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 3 assignments used, quality = 0.98: HA LEU 42 + QG2 VAL 54 OK 98 100 100 98 3.4-4.6 8928/9222=81...(8) HA3 GLY 100 - QG2 VAL 54 far 0 94 0 - 8.5-10.6 HB THR 80 - QG2 VAL 54 far 0 94 0 - 8.8-10.6 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 2.6-4.0 2.5/9222=85, 4.4/9223=54...(18) HB3 PHE 45 + QG2 VAL 54 OK 92 92 100 100 2.7-3.6 2.5/9222=85, 4.4/9223=54...(18) HE2 LYS 47 - QG2 VAL 54 far 0 98 0 - 6.8-11.3 HE3 LYS 47 - QG2 VAL 54 far 0 98 0 - 8.2-12.4 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 1.9-4.1 1.8/9239=87, 8148=61...(28) HG3 GLU 48 - QG2 VAL 54 far 0 96 0 - 6.2-9.1 HG3 MET 1 - QG2 VAL 54 far 0 82 0 - 8.1-9.8 HG2 GLN 72 - QG2 VAL 54 far 0 91 0 - 8.4-10.9 HG3 GLN 50 - QG2 VAL 54 far 0 97 0 - 9.0-11.7 HG3 GLU 99 - QG2 VAL 54 far 0 100 0 - 9.5-14.3 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 5 assignments used, quality = 1.00: HB2 TYR 4 + QG2 VAL 54 OK 100 100 100 100 1.9-3.9 1.8/9238=63, 8145=53...(29) HB2 TYR 41 - QG2 VAL 54 far 0 92 0 - 4.9-6.0 HG2 GLU 48 - QG2 VAL 54 far 0 59 0 - 6.3-9.3 HB2 GLU 48 - QG2 VAL 54 far 0 100 0 - 7.2-8.5 HG3 GLU 43 - QG2 VAL 54 far 0 81 0 - 7.8-10.0 Violated in 1 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 = 0.65: HG12 ILE 52 + QG2 VAL 54 OK 65 100 70 93 2.9-5.8 1.8/10208=79...(10) HB3 LEU 55 - QG2 VAL 54 far 0 94 0 - 5.9-6.5 HB3 ARG 81 - QG2 VAL 54 far 0 98 0 - 9.9-11.7 Violated in 14 structures by 0.58 A. Peak 9244 from cnoeabs.peaks (4.54, 0.76, 21.39 ppm; 5.15 A): 1 out of 6 assignments used, quality = 0.62: HA ASP 77 + QG1 VAL 78 OK 62 62 100 100 3.2-5.5 9682/2.1=79, 7274/4.0=74...(13) HA PHE 45 - QG1 VAL 54 far 4 90 5 - 5.9-7.0 HA PHE 45 - QG1 VAL 78 far 0 69 0 - 6.8-8.4 HA ASP 77 - QG1 VAL 54 far 0 82 0 - 7.2-8.0 HA PHE 96 - QG1 VAL 54 far 0 77 0 - 8.7-9.6 HA PHE 96 - QG1 VAL 78 far 0 57 0 - 8.9-11.6 Violated in 5 structures by 0.08 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 2.2-3.5 9238/2.1=73, ~9239=68...(26) HG2 GLN 72 - QG1 VAL 78 poor 18 43 55 77 4.3-6.8 4.8/10847=32, ~9566=22...(7) HB3 TYR 4 - QG1 VAL 78 far 4 83 5 - 5.6-8.1 HG2 GLN 72 - QG1 VAL 54 far 0 59 0 - 8.4-11.3 HG3 GLU 48 - QG1 VAL 54 far 0 70 0 - 8.6-11.1 HG3 GLU 99 - QG1 VAL 54 far 0 85 0 - 9.5-14.4 HG3 GLU 48 - QG1 VAL 78 far 0 51 0 - 9.7-11.8 HG3 GLU 99 - QG1 VAL 78 far 0 65 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 9246 from cnoeabs.peaks (2.28, 0.76, 21.39 ppm; 4.32 A): 2 out of 9 assignments used, quality = 0.98: HB2 TYR 4 + QG1 VAL 54 OK 96 96 100 100 2.0-3.2 9239/2.1=72, 1.8/9245=57...(26) HB2 TYR 41 + QG1 VAL 54 OK 33 61 95 57 4.1-5.3 1.8/8876=21...(9) HB2 TYR 4 - QG1 VAL 78 far 0 76 0 - 5.3-7.9 HB2 TYR 41 - QG1 VAL 78 far 0 44 0 - 5.9-7.8 HD3 ARG 81 - QG1 VAL 78 far 0 54 0 - 7.9-11.7 HB2 GLU 48 - QG1 VAL 54 far 0 90 0 - 9.1-10.6 HD3 ARG 81 - QG1 VAL 54 far 0 73 0 - 9.4-11.5 HB2 GLU 48 - QG1 VAL 78 far 0 69 0 - 9.5-11.5 HG2 GLU 37 - QG1 VAL 54 far 0 94 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 9247 from cnoeabs.peaks (0.72, -0.63, 42.07 ppm; 4.84 A): 5 out of 17 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 55 OK 100 100 100 100 2.3-4.7 2.1/8198=87, 8195/3.1=85...(25) QG1 VAL 54 + HB2 LEU 55 OK 58 63 100 92 4.1-5.3 4.1/6907=67...(9) QG2 VAL 78 + HB2 LEU 55 OK 43 100 60 71 4.9-7.8 8196=21, 8180/3.0=20...(12) HG3 ARG 81 + HB2 LEU 55 OK 32 96 35 94 4.8-8.0 3614/3.1=38, ~9253=32...(18) QG2 ILE 93 + HB2 LEU 55 OK 21 84 25 100 5.2-6.8 10322/8198=50...(19) HG13 ILE 93 - HB2 LEU 55 far 14 93 15 - 4.7-7.9 QG1 VAL 78 - HB2 LEU 55 poor 14 91 25 60 4.9-7.9 2.1/8196=18, ~8180=14...(11) QD1 ILE 56 - HB2 LEU 55 far 9 95 10 - 5.2-7.0 HG13 ILE 56 - HB2 LEU 55 far 0 99 0 - 5.8-7.7 QD2 LEU 6 - HB2 LEU 55 far 0 61 0 - 6.5-9.0 QD2 LEU 27 - HB2 LEU 55 far 0 100 0 - 6.8-8.3 QD1 ILE 8 - HB2 LEU 55 far 0 96 0 - 7.2-10.4 QG1 VAL 58 - HB2 LEU 55 far 0 100 0 - 7.9-9.3 QD1 LEU 64 - HB2 LEU 55 far 0 95 0 - 8.6-9.6 QD2 LEU 14 - HB2 LEU 55 far 0 96 0 - 8.9-11.0 QD1 ILE 52 - HB2 LEU 55 far 0 77 0 - 9.0-10.3 QD1 LEU 42 - HB2 LEU 55 far 0 65 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 9248 from cnoeabs.peaks (0.71, 1.03, 42.07 ppm; 4.59 A): 3 out of 17 assignments used, quality = 0.99: QG1 VAL 5 + HB3 LEU 55 OK 97 97 100 100 1.9-3.7 8195/3.1=77, 3.2/8189=69...(24) HG13 ILE 93 + HB3 LEU 55 OK 51 75 70 97 4.1-6.9 ~10021=44, ~9266=44...(14) QG2 ILE 93 + HB3 LEU 55 OK 45 61 75 98 4.5-5.7 ~9262=34, ~10021=34...(17) QG1 VAL 78 - HB3 LEU 55 poor 18 71 25 - 5.2-8.4 QD1 ILE 56 - HB3 LEU 55 far 10 100 10 - 5.2-7.0 QG2 VAL 78 - HB3 LEU 55 far 5 99 5 - 5.5-8.1 HG3 ARG 81 - HB3 LEU 55 far 4 82 5 - 5.3-9.2 HG13 ILE 56 - HB3 LEU 55 far 0 100 0 - 5.6-7.7 QD2 LEU 6 - HB3 LEU 55 far 0 84 0 - 5.7-8.3 QD2 LEU 27 - HB3 LEU 55 far 0 95 0 - 6.4-7.9 QD1 ILE 8 - HB3 LEU 55 far 0 100 0 - 7.8-9.8 QG1 VAL 58 - HB3 LEU 55 far 0 99 0 - 8.0-9.0 QD1 ILE 52 - HB3 LEU 55 far 0 94 0 - 8.6-10.8 QG2 VAL 58 - HB3 LEU 55 far 0 63 0 - 9.0-10.0 QD2 LEU 14 - HB3 LEU 55 far 0 100 0 - 9.1-10.2 QD1 LEU 64 - HB3 LEU 55 far 0 79 0 - 9.1-9.9 QD1 LEU 42 - HB3 LEU 55 far 0 87 0 - 9.3-10.8 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 2.5-3.6 8189=100, 9295/6908=81...(30) HA ILE 7 - HB3 LEU 55 far 0 79 0 - 6.7-8.2 HA LEU 3 - HB3 LEU 55 far 0 84 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. Peak 9250 from cnoeabs.peaks (5.11, -0.63, 42.07 ppm; 5.31 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 5 + HB2 LEU 55 OK 100 100 100 100 2.6-5.0 8189/1.8=99...(24) HA ILE 7 - HB2 LEU 55 far 0 88 0 - 6.4-9.2 HA TYR 4 - HB2 LEU 55 far 0 68 0 - 6.4-8.1 HA LEU 3 - HB2 LEU 55 far 0 92 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 9251 from cnoeabs.peaks (1.53, 0.44, 22.30 ppm; 3.46 A): 3 out of 10 assignments used, quality = 0.99: HG2 ARG 79 + QD1 LEU 55 OK 95 100 100 95 1.9-4.2 3.0/9252=49, 9695=39...(20) HG3 ARG 79 + QD1 LEU 55 OK 57 100 60 94 2.0-4.9 3.0/9252=49, 1.8/9695=31...(18) HG LEU 57 + QD1 LEU 55 OK 33 75 45 98 4.0-5.5 2.1/10211=55, ~10212=38...(18) HG12 ILE 56 - QD1 LEU 55 far 15 100 15 - 4.0-6.6 HD3 LYS 53 - QD1 LEU 55 far 0 92 0 - 6.2-8.9 HG LEU 6 - QD1 LEU 55 far 0 100 0 - 6.8-8.3 HB2 LEU 3 - QD1 LEU 55 far 0 91 0 - 6.9-9.1 HB ILE 7 - QD1 LEU 55 far 0 99 0 - 7.0-8.4 HB3 LEU 103 - QD1 LEU 55 far 0 99 0 - 7.3-13.3 HD3 LYS 82 - QD1 LEU 55 far 0 70 0 - 9.1-11.1 Violated in 7 structures by 0.03 A. Peak 9252 from cnoeabs.peaks (1.66, 0.44, 22.30 ppm; 3.72 A): 1 out of 10 assignments used, quality = 0.94: HB3 ARG 79 + QD1 LEU 55 OK 94 100 100 94 2.0-3.9 7290/9692=36...(14) HB3 LEU 6 - QD1 LEU 55 far 0 99 0 - 5.5-8.5 HB3 LYS 53 - QD1 LEU 55 far 0 84 0 - 6.0-7.8 HD3 LYS 68 - QD1 LEU 55 far 0 99 0 - 7.0-10.9 HG2 LYS 68 - QD1 LEU 55 far 0 95 0 - 7.3-10.7 HB3 ARG 91 - QD1 LEU 55 far 0 88 0 - 7.5-10.2 HD2 LYS 68 - QD1 LEU 55 far 0 100 0 - 8.4-11.8 HD3 LYS 90 - QD1 LEU 55 far 0 63 0 - 9.1-11.7 HB ILE 76 - QD1 LEU 55 far 0 96 0 - 9.8-11.4 HD2 LYS 94 - QD1 LEU 55 far 0 68 0 - 9.9-12.5 Violated in 3 structures by 0.02 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 4.1-5.9 3629/9257=60...(19) HG2 GLU 95 - QD1 LEU 55 far 7 65 10 - 5.3-9.8 HB2 TYR 4 - QD1 LEU 55 far 0 96 0 - 7.3-8.7 Violated in 4 structures by 0.05 A. Peak 9254 from cnoeabs.peaks (3.08, 0.44, 22.30 ppm; 3.69 A): 4 out of 6 assignments used, quality = 0.81: HD2 ARG 79 + QD1 LEU 55 OK 42 99 45 95 3.0-5.9 3.8/9252=46, 3.0/9251=31...(19) HB2 PHE 96 + QD1 LEU 55 OK 38 96 40 99 3.7-5.8 1.8/9256=49, ~9263=42...(25) HD3 ARG 79 + QD1 LEU 55 OK 33 99 35 95 2.2-6.0 3.8/9252=46, 3.0/9251=31...(20) HB2 TRP 92 + QD1 LEU 55 OK 23 94 25 98 3.9-5.6 1.8/9255=53, 9987/2.1=40...(17) HB3 HIS 106 - QD1 LEU 55 far 0 79 0 - 7.6-18.2 HB3 HIS 105 - QD1 LEU 55 far 0 94 0 - 8.0-14.7 Violated in 7 structures by 0.11 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 2.4-4.3 9992/2.1=72, 9993=68...(19) HB2 HIS 106 - QD1 LEU 55 far 0 98 0 - 8.2-18.7 HB2 ASP 77 - QD1 LEU 55 far 0 98 0 - 8.3-10.5 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 2.3-4.7 10050/2.1=72...(23) Violated in 2 structures by 0.00 A. Peak 9257 from cnoeabs.peaks (4.36, 0.44, 22.30 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 81 + QD1 LEU 55 OK 100 100 100 100 4.2-5.7 3.0/9280=85...(18) HA SER 102 - QD1 LEU 55 far 5 91 5 - 4.0-13.0 Violated in 4 structures by 0.03 A. Peak 9258 from cnoeabs.peaks (5.32, 0.44, 22.30 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.97: HA THR 80 + QD1 LEU 55 OK 97 98 100 100 3.2-4.8 9299/6919=71...(16) HA ILE 52 - QD1 LEU 55 far 0 93 0 - 9.7-10.9 Violated in 3 structures by 0.02 A. Peak 9259 from cnoeabs.peaks (5.15, 0.44, 22.30 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.97: HA VAL 54 + QD1 LEU 55 OK 96 99 100 97 5.2-6.0 6902/2537=85, ~10654=38...(10) HA ILE 7 + QD1 LEU 55 OK 27 93 35 82 6.1-7.8 9332/9349=62...(6) HA LEU 3 - QD1 LEU 55 far 0 90 0 - 7.5-9.2 HA TYR 4 - QD1 LEU 55 far 0 100 0 - 7.7-8.7 Violated in 1 structures by 0.00 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 3.7-5.1 3.0/9263=88...(15) Violated in 0 structures by 0.00 A. Peak 9261 from cnoeabs.peaks (5.10, 0.51, 26.14 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 5 + QD2 LEU 55 OK 100 100 100 100 3.6-4.9 3.2/8195=84, 8189/3.1=82...(22) HA ILE 7 - QD2 LEU 55 far 12 79 15 - 5.4-7.1 HA LEU 3 - QD2 LEU 55 far 0 84 0 - 7.4-8.3 HA SER 59 - QD2 LEU 55 far 0 59 0 - 9.9-10.7 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 2.0-3.2 10009=70, 3.0/10005=38...(20) 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 = 0.98: HB3 PHE 96 + QD2 LEU 55 OK 98 98 100 100 1.9-3.1 10050=82, 7558/10044=49...(23) 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 1.9-2.9 9992=78, 1.8/9987=62...(18) HD3 ARG 19 - QD2 LEU 55 far 0 100 0 - 9.3-12.6 HB2 HIS 106 - QD2 LEU 55 far 0 100 0 - 9.5-19.8 HD2 ARG 19 - QD2 LEU 55 far 0 100 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 9265 from cnoeabs.peaks (3.08, 0.51, 26.14 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.99: HB2 PHE 96 + QD2 LEU 55 OK 93 93 100 100 2.6-4.0 1.8/9263=74...(29) HB2 TRP 92 + QD2 LEU 55 OK 90 91 100 99 3.0-4.1 1.8/9264=65, 9987=46...(20) HD3 ARG 79 - QD2 LEU 55 poor 20 100 20 - 3.5-8.0 HD2 ARG 79 - QD2 LEU 55 far 5 99 5 - 4.6-7.7 HB3 HIS 106 - QD2 LEU 55 far 0 84 0 - 9.1-19.1 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 2.1-5.0 2.1/10021=79...(17) HB3 GLU 99 - QD2 LEU 55 far 5 96 5 - 5.3-9.8 HB2 GLU 99 - QD2 LEU 55 far 0 90 0 - 6.1-10.0 HB2 MET 21 - QD2 LEU 55 far 0 79 0 - 6.3-7.8 HB3 LYS 94 - QD2 LEU 55 far 0 100 0 - 6.4-7.7 HB2 GLU 98 - QD2 LEU 55 far 0 88 0 - 7.4-9.4 HB3 GLU 17 - QD2 LEU 55 far 0 96 0 - 8.6-11.1 HB3 GLU 98 - QD2 LEU 55 far 0 90 0 - 8.8-10.6 Violated in 1 structures by 0.02 A. Peak 9267 from cnoeabs.peaks (1.82, 0.51, 26.14 ppm; 5.21 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 57 + QD2 LEU 55 OK 100 100 100 100 3.7-5.7 3.1/10212=94...(19) HB ILE 93 + QD2 LEU 55 OK 94 94 100 100 3.8-5.3 3.0/9262=91, 3.0/9266=79...(12) HB2 LYS 53 - QD2 LEU 55 far 0 92 0 - 6.4-7.3 HB2 GLU 88 - QD2 LEU 55 far 0 98 0 - 7.3-8.6 HB3 LYS 90 - QD2 LEU 55 far 0 98 0 - 7.3-8.9 HB2 LYS 90 - QD2 LEU 55 far 0 99 0 - 7.6-8.9 HB2 GLU 104 - QD2 LEU 55 far 0 98 0 - 8.2-17.4 Violated in 0 structures by 0.00 A. Peak 9268 from cnoeabs.peaks (1.50, 0.51, 26.14 ppm; 4.43 A): 3 out of 12 assignments used, quality = 1.00: HG LEU 57 + QD2 LEU 55 OK 100 100 100 100 2.7-4.0 2.1/10212=94...(19) HG2 ARG 79 + QD2 LEU 55 OK 28 73 40 96 3.7-6.2 ~9252=46, 9251/2.1=27...(17) HG3 ARG 79 + QD2 LEU 55 OK 24 71 35 96 3.4-7.3 ~9252=46, ~9251=34...(15) HB ILE 7 - QD2 LEU 55 far 5 92 5 - 5.1-7.2 HG12 ILE 56 - QD2 LEU 55 far 0 79 0 - 5.8-7.8 HG LEU 6 - QD2 LEU 55 far 0 88 0 - 6.4-8.1 HB2 ARG 91 - QD2 LEU 55 far 0 96 0 - 7.0-8.7 HG3 LYS 53 - QD2 LEU 55 far 0 70 0 - 8.3-9.1 HG2 LYS 53 - QD2 LEU 55 far 0 59 0 - 8.7-9.7 HB3 LEU 103 - QD2 LEU 55 far 0 91 0 - 8.9-14.8 HB3 LEU 64 - QD2 LEU 55 far 0 98 0 - 9.1-10.2 HG3 ARG 30 - QD2 LEU 55 far 0 81 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9269 from cnoeabs.peaks (0.80, 0.51, 26.14 ppm; 3.20 A): 3 out of 14 assignments used, quality = 1.00: QD2 LEU 57 + QD2 LEU 55 OK 99 100 100 99 1.8-2.8 2.1/10212=62, 10217=43...(27) QD1 LEU 57 + QD2 LEU 55 OK 85 85 100 99 1.9-3.8 10212=73, 2.1/10217=40...(21) QD1 ILE 93 + QD2 LEU 55 OK 59 71 90 92 2.4-4.4 2.1/9266=34, 4.2/9262=30...(15) QD1 LEU 27 - QD2 LEU 55 far 3 70 5 - 4.0-5.5 QG2 ILE 7 - QD2 LEU 55 far 0 100 0 - 6.0-7.7 QD1 LEU 6 - QD2 LEU 55 far 0 73 0 - 6.3-7.9 QG2 ILE 15 - QD2 LEU 55 far 0 100 0 - 7.4-9.7 QD2 LEU 38 - QD2 LEU 55 far 0 92 0 - 7.4-10.6 QD2 LEU 103 - QD2 LEU 55 far 0 87 0 - 7.8-13.5 QD2 LEU 42 - QD2 LEU 55 far 0 65 0 - 7.8-9.4 QG2 VAL 32 - QD2 LEU 55 far 0 79 0 - 7.8-9.1 QG2 ILE 52 - QD2 LEU 55 far 0 87 0 - 8.7-10.4 QG2 ILE 8 - QD2 LEU 55 far 0 96 0 - 8.9-10.0 QD2 LEU 2 - QD2 LEU 55 far 0 100 0 - 9.2-10.3 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 1.9-3.3 8195=72, 177/2.1=33...(30) HG13 ILE 93 + QD2 LEU 55 OK 84 93 95 95 2.1-4.4 2.1/10021=42...(19) QG2 ILE 93 + QD2 LEU 55 OK 56 84 70 96 3.0-4.4 3.2/9262=41...(22) HG3 ARG 81 + QD2 LEU 55 OK 38 96 50 79 3.2-6.0 3614/2.1=29, ~9253=16...(16) QG1 VAL 54 - QD2 LEU 55 far 0 63 0 - 4.9-5.9 QD1 ILE 56 - QD2 LEU 55 far 0 95 0 - 5.8-7.1 QG1 VAL 78 - QD2 LEU 55 far 0 91 0 - 5.8-8.4 QD2 LEU 27 - QD2 LEU 55 far 0 100 0 - 5.9-7.2 QG2 VAL 78 - QD2 LEU 55 far 0 100 0 - 5.9-8.0 HG13 ILE 56 - QD2 LEU 55 far 0 99 0 - 6.0-7.9 QD2 LEU 14 - QD2 LEU 55 far 0 96 0 - 6.4-7.9 QD2 LEU 6 - QD2 LEU 55 far 0 61 0 - 6.6-8.0 QG1 VAL 58 - QD2 LEU 55 far 0 100 0 - 6.7-7.8 QD1 ILE 8 - QD2 LEU 55 far 0 96 0 - 6.9-8.9 QD1 LEU 64 - QD2 LEU 55 far 0 95 0 - 7.3-8.0 QD1 ILE 15 - QD2 LEU 55 far 0 68 0 - 8.8-10.6 QD1 ILE 52 - QD2 LEU 55 far 0 77 0 - 9.1-10.6 HG13 ILE 15 - QD2 LEU 55 far 0 77 0 - 9.1-10.9 QD1 LEU 42 - QD2 LEU 55 far 0 65 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 9271 from cnoeabs.peaks (0.74, 0.44, 22.30 ppm; 3.55 A): 3 out of 19 assignments used, quality = 1.00: QG1 VAL 5 + QD1 LEU 55 OK 94 99 95 100 3.8-4.5 8195/2.1=67, 2.1/8197=61...(28) HG3 ARG 81 + QD1 LEU 55 OK 91 100 95 96 1.9-4.6 3614=44, 3.0/9253=27...(20) QG2 VAL 78 + QD1 LEU 55 OK 27 96 40 69 4.0-7.2 4.3/9692=30...(14) HG13 ILE 56 - QD1 LEU 55 far 9 90 10 - 4.4-6.8 HG13 ILE 93 - QD1 LEU 55 far 5 100 5 - 4.4-6.9 QG1 VAL 78 - QD1 LEU 55 far 5 99 5 - 4.4-6.9 QD1 ILE 56 - QD1 LEU 55 far 4 79 5 - 4.1-6.1 QD1 ILE 93 - QD1 LEU 55 far 0 71 0 - 4.7-6.1 QG1 VAL 54 - QD1 LEU 55 far 0 85 0 - 4.9-5.6 QG2 ILE 93 - QD1 LEU 55 far 0 97 0 - 5.0-6.5 QD1 LEU 64 - QD1 LEU 55 far 0 100 0 - 5.4-6.7 QD1 LEU 27 - QD1 LEU 55 far 0 73 0 - 5.6-7.1 QG1 VAL 58 - QD1 LEU 55 far 0 96 0 - 5.7-7.2 QD1 ILE 8 - QD1 LEU 55 far 0 82 0 - 6.2-8.6 QD1 LEU 6 - QD1 LEU 55 far 0 70 0 - 6.3-7.6 QD2 LEU 42 - QD1 LEU 55 far 0 77 0 - 6.6-8.6 QD2 LEU 14 - QD1 LEU 55 far 0 81 0 - 7.2-9.1 QD2 LEU 27 - QD1 LEU 55 far 0 100 0 - 7.2-8.7 QD1 ILE 15 - QD1 LEU 55 far 0 88 0 - 9.7-11.5 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 1.8-3.5 10211=75, 10212/2.1=62...(32) QD2 LEU 57 + QD1 LEU 55 OK 74 75 100 98 1.8-3.7 2.1/10211=49, ~10212=33...(28) QD1 LEU 103 - QD1 LEU 55 far 0 61 0 - 5.3-12.2 QD2 LEU 103 - QD1 LEU 55 far 0 100 0 - 6.3-12.6 QD2 LEU 38 - QD1 LEU 55 far 0 100 0 - 6.8-10.0 QD2 LEU 64 - QD1 LEU 55 far 0 65 0 - 6.8-8.3 QD1 LEU 38 - QD1 LEU 55 far 0 70 0 - 6.8-9.5 QG2 ILE 7 - QD1 LEU 55 far 0 81 0 - 7.4-8.6 QG2 VAL 32 - QD1 LEU 55 far 0 100 0 - 7.8-9.2 QG2 ILE 8 - QD1 LEU 55 far 0 57 0 - 8.4-10.0 QD2 LEU 2 - QD1 LEU 55 far 0 94 0 - 8.9-10.8 QD1 LEU 70 - QD1 LEU 55 far 0 99 0 - 9.0-12.6 QG2 ILE 15 - QD1 LEU 55 far 0 95 0 - 9.3-10.8 QD1 ILE 76 - QD1 LEU 55 far 0 84 0 - 9.5-10.9 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 3.9-6.4 10212/3.1=95...(18) QD2 LEU 57 + HB3 LEU 55 OK 93 93 100 100 2.7-4.0 10217/3.1=81, ~10212=73...(21) QG2 ILE 7 - HB3 LEU 55 far 0 96 0 - 7.6-8.9 QD2 LEU 38 - HB3 LEU 55 far 0 99 0 - 7.7-11.3 QG2 VAL 32 - HB3 LEU 55 far 0 95 0 - 8.2-9.5 QG2 ILE 52 - HB3 LEU 55 far 0 65 0 - 8.4-10.0 QD2 LEU 2 - HB3 LEU 55 far 0 100 0 - 9.1-10.7 QG2 ILE 15 - HB3 LEU 55 far 0 100 0 - 9.8-11.3 QD2 LEU 103 - HB3 LEU 55 far 0 98 0 - 9.8-16.1 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 2.3-4.8 9285/2.1=72...(28) 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 2.2-4.5 2.4/9256=68, 2.2/9274=60...(32) HZ PHE 96 + QD1 LEU 55 OK 55 61 90 99 3.5-5.6 2.2/9274=60, ~9285=40...(23) HZ3 TRP 92 + QD1 LEU 55 OK 45 59 85 89 2.4-5.7 2.5/9276=55, 6.4/9255=30...(11) HE ARG 91 - QD1 LEU 55 far 0 79 0 - 8.9-12.6 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 4 assignments used, quality = 0.97: HE3 TRP 92 + QD1 LEU 55 OK 97 98 100 99 2.4-4.8 4.2/9255=68...(15) H ARG 91 - QD1 LEU 55 far 0 84 0 - 7.4-9.4 H ALA 89 - QD1 LEU 55 far 0 93 0 - 7.7-9.1 HE22 GLN 72 - QD1 LEU 55 far 0 100 0 - 8.8-13.0 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 = 0.90: H PHE 96 + QD1 LEU 55 OK 84 99 85 100 4.4-6.5 10045=98, 10044/2.1=96...(10) H SER 97 + QD1 LEU 55 OK 38 97 40 99 5.9-8.0 4.2/9256=71...(8) H GLU 104 - QD1 LEU 55 far 5 97 5 - 6.3-14.0 H LYS 68 - QD1 LEU 55 far 0 96 0 - 8.1-9.8 Violated in 11 structures by 0.26 A. Peak 9278 from cnoeabs.peaks (8.39, 0.44, 22.30 ppm; 5.86 A): 3 out of 4 assignments used, quality = 0.98: H ILE 93 + QD1 LEU 55 OK 84 84 100 100 4.5-6.5 ~9262=77, 10005/2.1=75...(7) H THR 80 + QD1 LEU 55 OK 82 82 100 100 3.8-5.7 2.9/9258=91, 4.6/9252=83...(15) H GLU 95 + QD1 LEU 55 OK 27 79 40 86 5.8-8.0 4.5/10045=70...(6) H TYR 4 - QD1 LEU 55 far 12 79 15 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 9279 from cnoeabs.peaks (8.52, 0.44, 22.30 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.91: H ARG 79 + QD1 LEU 55 OK 88 88 100 100 3.5-4.9 9692=84, 4.1/9252=65...(14) H VAL 58 + QD1 LEU 55 OK 26 92 30 93 5.3-7.1 10926/9280=48...(8) H VAL 54 - QD1 LEU 55 far 7 73 10 - 5.1-6.7 Violated in 1 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 2.4-4.6 7311/9258=64...(21) H LYS 82 - QD1 LEU 55 far 3 65 5 - 5.5-7.0 Violated in 1 structures by 0.00 A. Peak 9281 from cnoeabs.peaks (8.92, 0.44, 22.30 ppm; 5.80 A): 1 out of 3 assignments used, quality = 1.00: H LEU 57 + QD1 LEU 55 OK 100 100 100 100 4.3-5.9 9349=99, 4.5/6919=86...(18) H VAL 5 - QD1 LEU 55 far 0 100 0 - 7.2-7.8 H ASP 77 - QD1 LEU 55 far 0 71 0 - 9.9-11.3 Violated in 1 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (8.35, 0.51, 26.14 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: H ILE 93 + QD2 LEU 55 OK 99 99 100 100 3.0-4.3 10005=97, 3.0/9262=85...(12) H GLU 95 + QD2 LEU 55 OK 78 100 80 97 4.7-5.9 7550/10044=68...(11) H TYR 4 - QD2 LEU 55 far 0 100 0 - 6.2-7.0 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 3.4-4.7 10044=99, 7558/9263=66...(14) H SER 97 + QD2 LEU 55 OK 35 100 35 99 4.7-6.0 7572/9263=57...(12) H GLU 104 - QD2 LEU 55 far 0 100 0 - 8.0-15.6 H LEU 27 - QD2 LEU 55 far 0 82 0 - 8.4-9.8 Violated in 1 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (7.03, 0.51, 26.14 ppm; 4.09 A): 3 out of 4 assignments used, quality = 1.00: QD PHE 96 + QD2 LEU 55 OK 100 100 100 100 2.6-3.4 2.4/9263=70...(29) HZ PHE 96 + QD2 LEU 55 OK 32 73 45 97 4.3-5.5 2.2/9285=42, ~9274=34...(18) HZ3 TRP 92 + QD2 LEU 55 OK 25 71 45 78 4.1-6.2 ~9276=31, 6.4/9264=23...(9) HE ARG 91 - QD2 LEU 55 far 0 68 0 - 7.9-11.1 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 3.4-4.4 9274/2.1=84, 4.4/9263=73...(25) 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 3.2-4.3 10669/3.0=94...(22) 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 3.0-4.1 2.2/9286=70, ~10669=63...(28) HZ PHE 96 + HB3 LEU 55 OK 73 73 100 100 3.6-5.1 2.2/9286=70, ~10669=63...(15) HZ3 TRP 92 - HB3 LEU 55 far 4 71 5 - 6.3-9.3 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 3.6-5.1 6059/8189=98...(11) 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 2.9-5.0 2.2/9290=64, ~10669=63...(30) HZ PHE 96 + HB2 LEU 55 OK 61 61 100 100 2.9-5.4 2.2/9290=64, ~10669=63...(19) HZ3 TRP 92 - HB2 LEU 55 far 9 59 15 - 5.1-9.2 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 2.7-4.9 10669/3.0=97...(27) 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 2.0-3.1 10293=99, 3.2/9729=66...(26) 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 3.0-4.3 7311/10293=84...(14) H ILE 8 - HB ILE 56 far 0 85 0 - 6.4-7.3 H SER 59 - HB ILE 56 far 0 85 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 9304 from cnoeabs.peaks (4.67, 1.76, 38.18 ppm; 5.28 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 55 + HB ILE 56 OK 100 100 100 100 4.5-5.1 6915/6922=93...(10) HA ARG 79 - HB ILE 56 poor 20 59 45 75 5.5-6.7 11121/9321=41, ~9312=17...(10) HA LYS 82 - HB ILE 56 far 4 81 5 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (4.70, 0.60, 16.63 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.94: HA LEU 55 + QG2 ILE 56 OK 80 81 100 99 5.2-5.5 6915/4.0=72...(11) HA LYS 82 + QG2 ILE 56 OK 70 100 85 83 5.3-6.6 9711/9734=48...(5) HA ARG 79 - QG2 ILE 56 far 0 97 0 - 6.7-7.6 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 3.2-4.7 9332/6932=88...(13) HA VAL 5 + QG2 ILE 56 OK 91 98 95 97 5.5-6.3 6059/8232=82...(8) HA TYR 4 - QG2 ILE 56 far 0 85 0 - 8.8-9.9 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 3.3-4.4 10293/2.1=87...(24) 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 4.3-5.3 3.0/10672=93...(24) Violated in 0 structures by 0.00 A. Peak 9309 from cnoeabs.peaks (8.51, 0.60, 16.63 ppm; 4.85 A): 2 out of 6 assignments used, quality = 0.94: H VAL 58 + QG2 ILE 56 OK 78 79 100 99 3.8-5.3 4.6/6932=65...(13) H ALA 67 + QG2 ILE 56 OK 71 71 100 100 4.5-5.3 2.9/9528=86, ~9329=45...(19) H VAL 32 - QG2 ILE 56 poor 18 71 25 - 5.4-6.9 H ARG 79 - QG2 ILE 56 far 5 97 5 - 5.5-6.9 H VAL 54 - QG2 ILE 56 far 0 88 0 - 7.5-8.5 H THR 31 - QG2 ILE 56 far 0 95 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 9310 from cnoeabs.peaks (8.77, 0.60, 16.63 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: H ARG 81 + QG2 ILE 56 OK 97 97 100 100 3.7-4.9 9735=95, 7313/9734=76...(17) H ILE 8 + QG2 ILE 56 OK 85 85 100 99 3.3-5.0 3.8/10673=58...(13) H SER 59 - QG2 ILE 56 far 0 85 0 - 5.9-7.1 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 3.9-4.6 8232=97, 8216/3.2=79...(16) H LYS 33 - QG2 ILE 56 far 0 99 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 9312 from cnoeabs.peaks (8.47, 0.71, 27.60 ppm; 6.18 A): 3 out of 7 assignments used, quality = 0.91: H ARG 79 + HG13 ILE 56 OK 75 81 100 93 3.7-6.8 9697/2585=57...(8) H ILE 7 + HG13 ILE 56 OK 48 98 50 99 5.3-8.3 4.3/10676=79...(9) H VAL 54 + HG13 ILE 56 OK 34 93 50 74 5.5-7.8 3.9/10678=64...(3) H ALA 67 - HG13 ILE 56 far 10 99 10 - 6.2-8.6 H VAL 32 - HG13 ILE 56 far 0 99 0 - 7.5-10.4 H THR 31 - HG13 ILE 56 far 0 85 0 - 8.7-11.7 H LYS 53 - HG13 ILE 56 far 0 100 0 - 9.4-11.4 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 2.7-6.0 8232/3.2=81, 8216/3.9=78...(15) H LYS 33 - HG13 ILE 56 far 0 100 0 - 9.4-12.5 Violated in 2 structures by 0.05 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 2.6-5.8 8232/3.0=86, 9313/2.1=83...(11) H LYS 33 + QD1 ILE 8 OK 81 98 85 98 4.6-6.6 4.4/12200=76...(8) H LEU 6 + QD1 ILE 8 OK 57 94 75 81 5.3-7.1 8232/2596=39...(8) H LYS 33 - QD1 ILE 56 far 0 100 0 - 7.9-10.8 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 3.7-6.0 ~12206=75, 10293/2.9=74...(25) Violated in 3 structures by 0.02 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 3.6-5.7 6915/2585=90...(12) HA LYS 82 - HG13 ILE 56 far 0 79 0 - 8.9-10.0 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 3.4-5.8 6915/2577=89...(15) 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 4.0-5.5 2.1/9328=95...(22) HA LEU 42 - HB ILE 56 far 0 70 0 - 9.4-10.8 Violated in 7 structures by 0.11 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 3.4-4.6 2.1/9528=94, ~9329=64...(15) HA LYS 68 + QG2 ILE 56 OK 54 70 85 91 5.2-6.5 4.9/9528=68...(5) HA LEU 38 + QG2 ILE 56 OK 53 70 100 76 4.6-5.6 3.8/10674=27, ~12202=18...(9) HA ALA 71 - QG2 ILE 56 far 5 100 5 - 5.9-7.9 HB3 SER 102 - QG2 ILE 56 far 0 79 0 - 8.9-18.7 HA LYS 40 - QG2 ILE 56 far 0 85 0 - 10.0-11.0 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 4.8-6.0 2.1/9327=100...(19) Violated in 9 structures by 0.09 A. Peak 9324 from cnoeabs.peaks (2.57, 0.60, 16.63 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.85: HB VAL 58 + QG2 ILE 56 OK 85 85 100 99 4.6-5.7 8301/10673=63...(14) HG3 GLN 72 - QG2 ILE 56 far 0 65 0 - 8.6-11.0 Violated in 1 structures by 0.01 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 99 100 100 100 1.8-2.5 9528=92, 9732/9734=38...(24) HG12 ILE 8 + QG2 ILE 56 OK 57 73 95 82 3.1-4.3 2.1/8313=34...(16) HB2 LEU 70 - QG2 ILE 56 far 0 61 0 - 5.1-7.7 HG3 LYS 68 - QG2 ILE 56 far 0 94 0 - 5.6-8.4 HB2 LYS 82 - QG2 ILE 56 far 0 98 0 - 6.0-7.9 QB ALA 89 - QG2 ILE 56 far 0 99 0 - 6.6-8.0 HB3 LEU 42 - QG2 ILE 56 far 0 81 0 - 6.9-9.1 HG2 LYS 39 - QG2 ILE 56 far 0 97 0 - 7.9-9.9 HG2 ARG 30 - QG2 ILE 56 far 0 63 0 - 8.5-9.9 HG LEU 14 - QG2 ILE 56 far 0 93 0 - 8.6-11.2 HG3 LYS 40 - QG2 ILE 56 far 0 81 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 9326 from cnoeabs.peaks (1.16, 0.60, 16.63 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.94: HB2 LEU 6 + QG2 ILE 56 OK 94 94 100 100 2.2-4.1 1.8/10672=87, 8235=84...(30) HB2 LEU 57 - QG2 ILE 56 poor 20 70 30 94 5.0-6.0 3.9/6932=61, 1.8/9355=33...(11) QG2 THR 31 - QG2 ILE 56 far 0 91 0 - 6.5-7.6 HG3 LYS 82 - QG2 ILE 56 far 0 87 0 - 6.9-8.4 QG2 THR 34 - QG2 ILE 56 far 0 98 0 - 8.1-9.2 HB2 LEU 29 - QG2 ILE 56 far 0 100 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 9327 from cnoeabs.peaks (0.97, 0.60, 16.63 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.98: QG2 THR 80 + QG2 ILE 56 OK 98 98 100 100 2.2-3.3 9734=97, 9729/2.1=68...(26) HG LEU 55 - QG2 ILE 56 far 0 100 0 - 5.1-5.9 HB2 ARG 81 - QG2 ILE 56 far 0 68 0 - 5.8-7.9 QG2 VAL 83 - QG2 ILE 56 far 0 100 0 - 5.9-7.0 QG2 VAL 5 - QG2 ILE 56 far 0 91 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 9328 from cnoeabs.peaks (0.96, 1.76, 38.18 ppm; 3.65 A): 1 out of 5 assignments used, quality = 0.85: QG2 THR 80 + HB ILE 56 OK 85 85 100 100 1.9-2.9 9729=76, 9327/2.1=68...(24) HG LEU 55 - HB ILE 56 far 0 99 0 - 4.9-6.1 HB2 ARG 81 - HB ILE 56 far 0 88 0 - 5.9-8.1 QG2 VAL 5 - HB ILE 56 far 0 99 0 - 7.0-8.3 QG2 VAL 83 - HB ILE 56 far 0 99 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 9329 from cnoeabs.peaks (1.34, 1.76, 38.18 ppm; 4.77 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 67 + HB ILE 56 OK 100 100 100 100 2.6-3.2 9528/2.1=98...(25) HG3 LYS 68 - HB ILE 56 far 10 100 10 - 5.5-8.9 HG12 ILE 8 - HB ILE 56 far 0 92 0 - 6.0-7.4 HB2 LYS 82 - HB ILE 56 far 0 100 0 - 6.9-8.3 HB2 LEU 70 - HB ILE 56 far 0 84 0 - 7.4-9.7 QB ALA 89 - HB ILE 56 far 0 100 0 - 8.4-9.7 HB3 ARG 30 - HB ILE 56 far 0 81 0 - 9.7-11.9 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 2.8-3.7 11122=99, 10926/6945=69...(20) H LYS 82 + HA LEU 57 OK 63 71 90 98 5.0-5.4 4.7/11122=52...(13) 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 3.9-5.1 9773=98, 9771/6945=96...(12) H ARG 30 - HA LEU 57 far 0 99 0 - 9.8-10.4 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 3 assignments used, quality = 1.00: H ILE 8 + HB2 LEU 57 OK 100 100 100 100 3.8-4.8 8289/1.8=99, 8288=99...(12) H ARG 81 + HB2 LEU 57 OK 69 70 100 99 5.1-6.1 9737=60, 11122/2.9=59...(11) H SER 59 + HB2 LEU 57 OK 59 100 60 98 6.1-6.7 4.7/6946=73...(5) 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 = 0.97: H ILE 8 + HB3 LEU 57 OK 93 93 100 100 3.3-4.2 8289=90, 8288/1.8=84...(16) H ARG 81 + HB3 LEU 57 OK 64 92 70 100 5.7-6.4 11122/2.9=82...(11) H SER 59 - HB3 LEU 57 far 0 93 0 - 6.9-7.6 H ALA 22 - HB3 LEU 57 far 0 63 0 - 9.4-10.4 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 2.9-4.6 9736=68, 11122/2642=66...(18) H LYS 82 + QD1 LEU 57 OK 39 59 70 94 4.5-5.2 4.5/9801=31, 4.7/9736=30...(13) H ILE 8 - QD1 LEU 57 far 0 63 0 - 5.4-5.9 H SER 59 - QD1 LEU 57 far 0 63 0 - 6.4-7.4 Violated in 3 structures by 0.01 A. Peak 9339 from cnoeabs.peaks (9.20, 0.83, 23.91 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.99: H ILE 56 + QD1 LEU 57 OK 97 98 100 100 3.4-6.2 6920/10212=74...(10) H THR 84 + QD1 LEU 57 OK 48 100 50 95 5.6-7.7 3747/9804=61...(5) H GLU 35 - QD2 LEU 70 poor 17 42 40 - 5.1-7.7 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 99 100 100 100 3.4-3.9 6920/10217=69...(13) H ILE 56 + QD1 LEU 6 OK 63 67 100 94 4.7-6.3 11108/4.6=66, ~8223=37...(10) H GLU 35 + QD2 LEU 38 OK 52 53 100 99 4.0-6.5 10554/4.5=56, ~10168=42...(26) H GLU 35 + QD1 LEU 70 OK 48 50 100 96 4.1-6.6 3.0/10609=34...(15) H ILE 56 - QD2 LEU 38 poor 17 63 65 41 5.4-8.4 9318/9526=21...(4) H THR 84 - QD2 LEU 57 far 0 100 0 - 8.0-9.2 H ILE 56 - QD1 LEU 70 far 0 60 0 - 8.3-11.8 H GLU 35 - QD1 LEU 6 far 0 56 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 9341 from cnoeabs.peaks (7.43, 0.83, 23.91 ppm; 4.28 A): 2 out of 6 assignments used, quality = 0.87: HE3 TRP 92 + QD1 LEU 57 OK 74 100 75 99 1.9-5.8 9343/2.1=51, 4.2/9357=50...(15) H ALA 89 + QD1 LEU 57 OK 49 99 50 99 3.9-6.4 9926=77, 3.0/10698=54...(18) H ARG 91 - QD1 LEU 57 far 0 70 0 - 5.7-7.8 HE22 GLN 72 - QD2 LEU 70 far 0 58 0 - 7.7-10.1 HE ARG 46 - QD2 LEU 70 far 0 34 0 - 8.9-12.0 HE ARG 19 - QD1 LEU 57 far 0 96 0 - 9.9-13.2 Violated in 3 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 = 0.86: HD1 TRP 92 + QD1 LEU 57 OK 86 96 90 100 2.5-5.9 3.9/9357=52, 3.9/9358=50...(20) QD TYR 41 - QD2 LEU 70 far 0 42 0 - 7.9-9.7 HE21 GLN 72 - QD2 LEU 70 far 0 58 0 - 8.6-11.1 QE TYR 41 - QD2 LEU 70 far 0 58 0 - 8.9-11.2 HD21 ASN 60 - QD1 LEU 57 far 0 95 0 - 9.3-13.0 QD TYR 41 - QD1 LEU 57 far 0 82 0 - 9.7-11.7 Violated in 4 structures by 0.17 A. Peak 9343 from cnoeabs.peaks (7.43, 0.80, 25.48 ppm; 5.25 A): 1 out of 11 assignments used, quality = 0.88: HE3 TRP 92 + QD2 LEU 57 OK 88 100 90 98 4.3-6.3 9341/2.1=57, 9997=44...(15) H ALA 89 - QD2 LEU 57 far 0 99 0 - 6.2-6.9 H ARG 91 - QD2 LEU 57 far 0 70 0 - 7.1-8.2 HE22 GLN 72 - QD1 LEU 70 far 0 60 0 - 7.7-10.4 HE22 GLN 72 - QD2 LEU 38 far 0 64 0 - 8.2-12.5 HE ARG 19 - QD2 LEU 57 far 0 96 0 - 8.5-12.3 HE22 GLN 72 - QD1 LEU 6 far 0 67 0 - 8.9-13.1 H LYS 47 - QD1 LEU 6 far 0 37 0 - 8.9-10.3 HE ARG 19 - QD1 LEU 6 far 0 61 0 - 9.1-13.6 HE ARG 46 - QD1 LEU 70 far 0 35 0 - 9.3-13.3 HE ARG 19 - QD2 LEU 38 far 0 57 0 - 9.7-15.8 Violated in 11 structures by 0.28 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 2.0-2.8 8272=99, 9345/1.8=72...(26) HA VAL 5 - HB3 LEU 57 far 0 94 0 - 6.1-7.3 HA VAL 54 - HB3 LEU 57 far 0 68 0 - 9.4-10.3 HA SER 85 - HB3 LEU 57 far 0 98 0 - 9.8-11.1 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 3.4-4.4 8272/1.8=94, 9332/3.9=71...(22) HA VAL 5 - HB2 LEU 57 far 0 94 0 - 7.8-8.8 HA SER 85 - HB2 LEU 57 far 0 98 0 - 8.6-9.6 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 4 assignments used, quality = 0.96: HA ILE 7 + QD1 LEU 57 OK 85 85 100 100 4.8-5.3 10687/2.1=90...(18) HA VAL 5 + QD1 LEU 57 OK 75 100 75 100 5.4-7.8 9261/10212=90...(15) HA SER 85 - QD1 LEU 57 poor 19 77 25 - 7.0-9.8 HA TYR 4 - QD1 LEU 57 far 0 63 0 - 9.0-11.3 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 5 assignments used, quality = 0.99: QD1 ILE 7 + HA LEU 57 OK 95 100 95 100 4.7-6.1 8287/2.9=80, ~8284=51...(24) QG2 ILE 56 + HA LEU 57 OK 88 88 100 100 3.6-4.8 6932/3.0=80...(17) QD1 LEU 29 - HA LEU 57 far 0 75 0 - 7.0-7.9 QD2 LEU 29 - HA LEU 57 far 0 92 0 - 8.1-9.8 QG2 VAL 54 - HA LEU 57 far 0 73 0 - 9.9-10.2 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 3.8-5.5 9280/11122=81...(15) HG2 ARG 81 + HA LEU 57 OK 88 99 90 99 5.2-6.7 4.9/11122=77...(9) 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 3.7-4.3 9819/2.9=73, 9783=61...(17) HG LEU 55 + HA LEU 57 OK 94 99 100 95 4.3-5.0 9364/4.0=33, ~9349=29...(14) QG2 THR 80 + HA LEU 57 OK 87 100 90 97 4.2-5.1 7313/11122=64...(11) QG1 VAL 83 + HA LEU 57 OK 63 63 100 100 3.4-4.3 2.1/9783=56, ~9819=43...(20) QG2 VAL 5 - HA LEU 57 far 0 82 0 - 6.8-8.3 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 = 0.99: QD1 ILE 7 + HB2 LEU 57 OK 98 98 100 100 2.6-4.4 8287/1.8=85, ~8284=58...(29) QG2 ILE 56 + HB2 LEU 57 OK 78 99 80 98 5.0-6.0 6932/3.9=70, 9355/1.8=39...(11) QD2 LEU 29 - HB2 LEU 57 far 0 68 0 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 9354 from cnoeabs.peaks (0.96, 1.20, 42.45 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + HB2 LEU 57 OK 100 100 100 100 2.2-3.0 9819=100, 2.1/9809=72...(23) HB2 ARG 81 - HB2 LEU 57 far 4 79 5 - 4.7-7.5 HG LEU 55 - HB2 LEU 57 far 0 100 0 - 5.1-5.8 QG2 THR 80 - HB2 LEU 57 far 0 93 0 - 6.2-7.2 QG2 VAL 5 - HB2 LEU 57 far 0 96 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (0.61, 1.82, 42.45 ppm; 4.51 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 7 + HB3 LEU 57 OK 100 100 100 100 2.4-3.7 8287=99, 2.1/8284=76...(28) QG2 ILE 56 + HB3 LEU 57 OK 94 97 100 97 4.3-5.2 6932/6938=72...(14) QD2 LEU 29 - HB3 LEU 57 far 0 79 0 - 5.7-7.4 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 3.6-4.5 9819/1.8=91, 9817/3.0=59...(23) HG LEU 55 + HB3 LEU 57 OK 70 100 70 100 4.3-5.4 9364/3.1=43, ~10212=41...(21) QG2 VAL 5 - HB3 LEU 57 far 0 91 0 - 5.6-7.3 HB2 ARG 81 - HB3 LEU 57 far 0 68 0 - 5.8-8.6 QG2 THR 80 - HB3 LEU 57 far 0 98 0 - 6.2-7.3 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 4 assignments used, quality = 0.99: HB2 TRP 92 + QD1 LEU 57 OK 99 100 100 99 2.7-4.0 1.8/9358=71, 3.9/9342=48...(19) HD3 ARG 79 - QD1 LEU 57 far 0 84 0 - 5.8-10.4 HB2 PHE 96 - QD1 LEU 57 far 0 100 0 - 5.9-7.8 HD2 ARG 79 - QD1 LEU 57 far 0 81 0 - 6.2-10.5 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 2 assignments used, quality = 1.00: HB3 TRP 92 + QD1 LEU 57 OK 100 100 100 100 2.1-3.7 1.8/9357=81...(20) HD3 ARG 46 - QD2 LEU 70 far 0 58 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 9359 from cnoeabs.peaks (3.12, 0.80, 25.48 ppm; 5.87 A): 2 out of 6 assignments used, quality = 0.96: HB2 TRP 92 + QD2 LEU 57 OK 91 91 100 100 3.2-4.9 ~9358=85, 9357/2.1=78...(20) HB2 PHE 96 + QD2 LEU 57 OK 56 88 100 64 5.6-6.4 4325/9360=48...(6) HD3 ARG 30 - QD1 LEU 6 far 3 35 10 - 5.7-7.4 HD3 ARG 30 - QD2 LEU 38 far 0 32 0 - 8.2-12.0 HD3 ARG 30 - QD2 LEU 57 far 0 61 0 - 8.9-11.8 HB2 PHE 96 - QD1 LEU 6 far 0 54 0 - 9.6-11.1 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 = 0.84: HA ILE 93 + QD2 LEU 57 OK 84 99 100 85 4.3-5.3 9262/10217=70...(6) HA ILE 93 - QD1 LEU 6 far 0 64 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 9361 from cnoeabs.peaks (2.10, 5.39, 52.09 ppm; 5.98 A): 1 out of 4 assignments used, quality = 0.76: HB VAL 83 + HA LEU 57 OK 76 96 80 100 6.1-7.0 2.1/9797=97, 2.1/9783=95...(11) HB2 LEU 64 - HA LEU 57 far 0 96 0 - 7.3-8.3 HB3 GLU 88 - HA LEU 57 far 0 93 0 - 7.5-9.4 HB3 LEU 38 - HA LEU 57 far 0 87 0 - 9.7-12.1 Violated in 20 structures by 0.67 A. Peak 9362 from cnoeabs.peaks (2.10, 1.20, 42.45 ppm; 5.61 A): 1 out of 6 assignments used, quality = 0.96: HB VAL 83 + HB2 LEU 57 OK 96 96 100 100 4.9-6.0 2.1/9819=100...(19) HB3 GLU 88 - HB2 LEU 57 far 5 93 5 - 6.4-8.2 HB2 PRO 86 - HB2 LEU 57 far 0 88 0 - 8.3-9.8 HB3 PRO 86 - HB2 LEU 57 far 0 99 0 - 9.0-9.8 HB2 LEU 64 - HB2 LEU 57 far 0 96 0 - 9.2-10.0 QE MET 21 - HB2 LEU 57 far 0 100 0 - 9.9-11.1 Violated in 7 structures by 0.06 A. Peak 9363 from cnoeabs.peaks (0.98, 0.83, 23.91 ppm; 2.90 A): 3 out of 6 assignments used, quality = 0.98: QG2 VAL 83 + QD1 LEU 57 OK 84 96 90 97 1.8-4.1 9819/3.1=33, 2.1/9808=30...(21) QG1 VAL 83 + QD1 LEU 57 OK 73 75 100 97 1.8-3.1 9808=31, 2.1/9804=26...(25) HG LEU 55 + QD1 LEU 57 OK 56 96 60 97 1.9-4.4 2.1/10212=50...(24) QG2 THR 80 - QD1 LEU 57 far 0 100 0 - 4.6-6.1 QG2 VAL 5 - QD1 LEU 57 far 0 71 0 - 4.8-7.0 QG2 THR 80 - QD2 LEU 70 far 0 58 0 - 6.3-8.0 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (0.96, 0.80, 25.48 ppm; 3.30 A): 3 out of 16 assignments used, quality = 0.99: HG LEU 55 + QD2 LEU 57 OK 98 100 100 98 1.8-2.4 2.1/10217=44, ~10212=35...(27) QG2 VAL 5 + QD2 LEU 57 OK 50 96 70 74 3.2-5.1 8197/10213=21...(16) HB2 ARG 81 + QD2 LEU 57 OK 20 79 35 73 3.3-6.8 9744/2.1=17, ~9748=16...(13) QG2 VAL 83 - QD2 LEU 57 far 10 100 10 - 3.9-5.0 QG2 THR 80 - QD2 LEU 38 far 0 55 0 - 4.4-5.9 QG2 THR 80 - QD2 LEU 57 far 0 93 0 - 4.5-6.0 QG2 THR 80 - QD1 LEU 70 far 0 52 0 - 5.1-8.3 QG2 THR 80 - QD1 LEU 6 far 0 58 0 - 5.6-6.7 QG2 VAL 5 - QD1 LEU 6 far 0 62 0 - 5.6-6.5 HG LEU 55 - QD1 LEU 6 far 0 68 0 - 6.5-7.7 QG2 VAL 5 - QD2 LEU 38 far 0 58 0 - 7.2-10.6 HG LEU 55 - QD2 LEU 38 far 0 64 0 - 7.5-10.8 QG2 VAL 83 - QD2 LEU 38 far 0 64 0 - 8.2-10.1 HB2 ARG 81 - QD2 LEU 38 far 0 44 0 - 8.7-12.3 QG2 VAL 83 - QD1 LEU 6 far 0 68 0 - 9.1-10.0 HB2 ARG 81 - QD1 LEU 6 far 0 46 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 9365 from cnoeabs.peaks (0.97, 1.50, 26.28 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 83 + HG LEU 57 OK 100 100 100 100 3.4-4.1 9817=79, 9819/3.0=71...(19) HG LEU 55 + HG LEU 57 OK 100 100 100 100 3.6-4.5 2.1/10214=57, ~10212=54...(18) HB2 ARG 81 - HG LEU 57 far 7 68 10 - 4.7-7.6 QG2 VAL 5 - HG LEU 57 far 0 91 0 - 5.1-6.6 QG2 VAL 5 - HG3 ARG 30 far 0 43 0 - 6.7-9.4 QG2 THR 80 - HG LEU 57 far 0 98 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 9367 from cnoeabs.peaks (0.94, 5.25, 58.24 ppm; 4.93 A): 1 out of 6 assignments used, quality = 0.90: QG2 VAL 83 + HA VAL 58 OK 90 92 100 97 4.1-4.9 9788/3.0=70...(7) QG2 THR 80 - HA VAL 58 poor 20 63 40 77 5.3-6.4 9327/11071=27...(7) QG1 VAL 32 - HA VAL 58 far 0 63 0 - 6.4-7.4 HB2 ARG 81 - HA VAL 58 far 0 99 0 - 7.5-9.7 HG LEU 55 - HA VAL 58 far 0 91 0 - 8.4-9.1 QG2 VAL 5 - HA VAL 58 far 0 100 0 - 9.7-11.0 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 4.4-4.9 6946/3.0=93...(20) HB2 LEU 6 - HA VAL 58 far 0 93 0 - 7.4-8.9 QB ALA 18 - HA VAL 58 far 0 79 0 - 7.6-8.2 QG2 THR 34 - HA VAL 58 far 0 87 0 - 9.6-11.2 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 4.3-5.5 2.9/9374=89...(27) HB2 LYS 82 + HA VAL 58 OK 61 94 65 100 5.4-6.8 ~9759=51, 9416/9422=43...(20) QB ALA 67 + HA VAL 58 OK 51 87 65 90 5.0-6.0 9378/3.2=35...(12) QB ALA 89 - HA VAL 58 far 0 90 0 - 5.8-7.6 HG LEU 14 - HA VAL 58 far 0 99 0 - 7.2-8.8 HG3 LYS 68 - HA VAL 58 far 0 98 0 - 9.4-12.5 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 5.8-6.0 9383/3.2=75, ~10219=64...(20) HD2 LYS 82 + HA VAL 58 OK 20 82 25 100 6.2-7.3 ~9768=51, ~9761=50...(13) HB ILE 7 - HA VAL 58 far 0 65 0 - 6.4-7.0 HG LEU 57 - HA VAL 58 far 0 96 0 - 6.7-7.0 HG LEU 38 - HA VAL 58 far 0 82 0 - 7.7-11.1 HB2 LEU 14 - HA VAL 58 far 0 65 0 - 7.8-9.6 HB2 LEU 38 - HA VAL 58 far 0 75 0 - 8.4-11.1 HG LEU 64 - HA VAL 58 far 0 100 0 - 8.6-8.9 HG LEU 6 - HA VAL 58 far 0 59 0 - 9.4-11.1 HG3 LYS 33 - HA VAL 58 far 0 94 0 - 9.6-11.5 HG2 LYS 66 - HA VAL 58 far 0 100 0 - 9.7-12.4 Violated in 20 structures by 0.13 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 3.9-4.8 10700/3.0=86...(28) 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 2.0-3.0 8300=88, 2.1/10703=57...(28) HB3 LEU 14 - HA VAL 58 far 0 99 0 - 7.4-8.9 HB3 LYS 66 - HA VAL 58 far 0 75 0 - 8.4-9.5 HB3 LYS 68 - HA VAL 58 far 0 91 0 - 9.5-12.5 HB2 LYS 33 - HA VAL 58 far 0 85 0 - 9.6-12.2 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 9 assignments used, quality = 0.97: HB3 GLU 63 + HB VAL 58 OK 97 97 100 100 1.9-2.3 10233=86, 1.8/10700=74...(31) HG3 ARG 46 - HG3 MET 74 far 0 52 0 - 5.0-8.0 HB2 LYS 39 - HG3 MET 74 far 0 39 0 - 5.5-8.0 HB3 LYS 82 - HB VAL 58 far 0 100 0 - 5.6-7.0 HB ILE 56 - HB VAL 58 far 0 100 0 - 6.7-7.4 HB VAL 78 - HG3 MET 74 far 0 59 0 - 7.1-11.9 HB2 LYS 66 - HB VAL 58 far 0 100 0 - 8.0-9.2 HD2 ARG 81 - HB VAL 58 far 0 59 0 - 8.8-12.1 HB2 LYS 66 - HG3 MET 74 far 0 66 0 - 9.6-11.8 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 14 assignments used, quality = 1.00: HB3 LEU 64 + HB VAL 58 OK 96 96 100 100 4.1-4.6 9383/2.1=93, ~10219=75...(20) HD2 LYS 82 + HB VAL 58 OK 95 96 100 100 4.7-6.1 10941/2.1=64, ~9761=62...(12) HG3 LYS 39 + HG3 MET 74 OK 36 39 95 98 3.3-7.0 ~12072=54, 12073/3.4=54...(15) HG13 ILE 76 + HG3 MET 74 OK 27 32 85 100 4.1-6.9 2.1/10879=56, ~10880=54...(22) HG2 LYS 73 - HG3 MET 74 poor 17 58 30 - 3.3-7.7 HG LEU 64 - HB VAL 58 far 0 100 0 - 6.6-7.2 HB2 LEU 38 - HG3 MET 74 far 0 55 0 - 6.6-11.0 HG LEU 38 - HG3 MET 74 far 0 59 0 - 7.0-11.3 HG LEU 38 - HB VAL 58 far 0 96 0 - 7.5-10.8 HG2 LYS 66 - HB VAL 58 far 0 96 0 - 7.7-10.6 HG3 LYS 66 - HB VAL 58 far 0 94 0 - 8.4-10.2 HG LEU 57 - HB VAL 58 far 0 84 0 - 8.7-8.9 HB2 LEU 38 - HB VAL 58 far 0 92 0 - 8.8-10.9 HG2 LYS 47 - HG3 MET 74 far 0 59 0 - 9.8-14.6 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 10 assignments used, quality = 1.00: HB2 LYS 82 + HB VAL 58 OK 98 98 100 100 4.2-6.0 ~9759=75, ~10228=67...(18) QB ALA 67 + HB VAL 58 OK 91 94 100 96 4.4-5.2 9378/2.1=46...(12) HG2 LYS 39 + HG3 MET 74 OK 63 63 100 100 2.6-5.6 12072/3.4=74, ~12073=63...(16) HG12 ILE 8 + HB VAL 58 OK 60 99 60 100 5.3-6.7 2.9/8301=76, 2.1/8307=73...(23) HB2 LEU 70 + HG3 MET 74 OK 46 61 80 95 3.4-7.6 10276/3.4=51, ~10282=41...(11) QB ALA 89 - HB VAL 58 far 0 96 0 - 7.7-9.4 QB ALA 67 - HG3 MET 74 far 0 57 0 - 8.0-10.8 HG3 LYS 68 - HB VAL 58 far 0 100 0 - 8.2-11.1 HG LEU 14 - HB VAL 58 far 0 100 0 - 9.5-10.9 HG3 LYS 40 - HG3 MET 74 far 0 66 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 9378 from cnoeabs.peaks (1.34, 0.68, 19.32 ppm; 3.68 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 82 + QG2 VAL 58 OK 100 100 100 100 1.9-3.0 3.0/10228=59...(26) QB ALA 67 + QG2 VAL 58 OK 94 100 100 95 3.4-4.2 2981/9475=52...(19) HG3 LYS 68 - QG2 VAL 58 far 0 100 0 - 5.4-8.0 HG12 ILE 8 - QG2 VAL 58 far 0 92 0 - 6.1-6.7 QB ALA 89 - QG2 VAL 58 far 0 100 0 - 6.4-7.7 HG LEU 14 - QG2 VAL 58 far 0 100 0 - 8.4-9.5 HB2 LEU 70 - QG2 VAL 58 far 0 84 0 - 8.7-10.6 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: HD2 LYS 82 + QG2 VAL 58 OK 96 99 100 98 3.2-3.9 2.9/10222=43...(14) HG LEU 64 + QG2 VAL 58 OK 96 99 100 98 4.2-4.3 2827/9475=43...(16) HB3 LEU 64 + QG2 VAL 58 OK 91 91 100 100 1.8-2.0 3.0/9475=56...(27) HG LEU 57 - QG2 VAL 58 far 0 73 0 - 6.6-7.1 HG LEU 38 - QG2 VAL 58 far 0 99 0 - 6.8-9.9 HG2 LYS 66 - QG2 VAL 58 far 0 90 0 - 6.8-8.8 HG3 LYS 66 - QG2 VAL 58 far 0 87 0 - 7.5-8.8 HB2 LEU 38 - QG2 VAL 58 far 0 97 0 - 7.9-9.4 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 6 assignments used, quality = 1.00: HB3 GLU 63 + QG2 VAL 58 OK 100 100 100 100 2.3-3.1 9375/2.1=68...(37) HB3 LYS 82 + QG2 VAL 58 OK 99 99 100 100 3.3-3.9 9759=76, 3.0/10228=66...(21) HB ILE 56 + QG2 VAL 58 OK 44 99 50 90 4.3-5.8 10225/2.1=36, ~9324=28...(12) HB2 LYS 66 - QG2 VAL 58 far 0 100 0 - 7.1-8.0 HB2 GLU 88 - QG2 VAL 58 far 0 65 0 - 8.0-8.9 HB VAL 78 - QG2 VAL 58 far 0 100 0 - 9.1-11.4 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 3 assignments used, quality = 0.96: HB2 GLU 63 + QG1 VAL 58 OK 96 96 100 100 1.9-2.4 10236/2.1=62...(30) HG2 GLU 35 - QG1 VAL 58 far 0 96 0 - 6.8-10.6 HG3 GLU 35 - QG1 VAL 58 far 0 96 0 - 7.8-10.4 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 7 assignments used, quality = 0.81: HB2 LEU 64 + QG1 VAL 58 OK 81 81 100 100 4.0-4.5 1.8/9383=90, 3.0/9385=83...(21) HB3 LEU 38 - QG1 VAL 58 far 5 98 5 - 5.5-7.4 HB3 GLU 35 - QG1 VAL 58 far 0 100 0 - 6.3-8.7 HB3 GLU 62 - QG1 VAL 58 far 0 100 0 - 6.5-7.9 HB VAL 83 - QG1 VAL 58 far 0 81 0 - 7.9-8.5 HG3 GLU 37 - QG1 VAL 58 far 0 85 0 - 8.9-10.3 HB3 GLU 88 - QG1 VAL 58 far 0 100 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 9383 from cnoeabs.peaks (1.47, 0.72, 21.78 ppm; 4.09 A): 1 out of 11 assignments used, quality = 0.91: HB3 LEU 64 + QG1 VAL 58 OK 91 91 100 100 3.0-3.8 3.0/9385=67, 1.8/9382=59...(23) HG LEU 64 - QG1 VAL 58 far 5 99 5 - 5.0-5.7 HG LEU 38 - QG1 VAL 58 lone 2 99 25 8 4.7-7.4 12201/2670=6, 7088/9520=2 HD2 LYS 82 - QG1 VAL 58 far 0 99 0 - 5.7-6.5 HB2 LEU 38 - QG1 VAL 58 far 0 97 0 - 5.7-7.3 HG2 LYS 66 - QG1 VAL 58 far 0 90 0 - 6.0-8.0 HG LEU 57 - QG1 VAL 58 far 0 73 0 - 6.5-6.9 HG3 LYS 66 - QG1 VAL 58 far 0 87 0 - 6.5-7.7 HG3 LYS 33 - QG1 VAL 58 far 0 68 0 - 8.2-10.3 HG3 LYS 39 - QG1 VAL 58 far 0 81 0 - 9.1-12.0 HG LEU 29 - QG1 VAL 58 far 0 70 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (1.32, 0.72, 21.78 ppm; 3.31 A): 2 out of 7 assignments used, quality = 0.96: QB ALA 67 + QG1 VAL 58 OK 90 98 100 92 2.2-2.9 2981/9385=36...(21) HG12 ILE 8 + QG1 VAL 58 OK 58 61 95 99 3.5-4.3 2.9/10224=50, 1.8/319=33...(29) HB2 LYS 82 - QG1 VAL 58 far 5 94 5 - 4.2-5.0 HG3 LYS 68 - QG1 VAL 58 far 0 87 0 - 5.5-8.2 QB ALA 89 - QG1 VAL 58 far 0 97 0 - 6.2-7.8 HG LEU 14 - QG1 VAL 58 far 0 85 0 - 8.1-9.7 HG2 LYS 39 - QG1 VAL 58 far 0 92 0 - 9.3-11.7 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 2.1-2.8 9475/2.1=78, 3.0/9383=48...(24) 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 3.9-4.4 9372/6954=82...(22) HA LEU 55 - QG1 VAL 58 far 0 93 0 - 7.4-7.8 HA ARG 79 - QG1 VAL 58 far 0 88 0 - 7.9-9.2 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 3.7-4.5 9448=82, 9449/10219=62...(13) HA ARG 81 + QG2 VAL 58 OK 93 100 100 93 4.4-5.1 7324/9755=71...(9) 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 1.9-2.6 9475=96, 9385/2.1=63...(28) 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 9 assignments used, quality = 1.00: HA GLU 63 + HB VAL 58 OK 99 99 100 100 4.5-4.9 3.0/9375=95...(25) HA GLU 43 + HG3 MET 74 OK 47 52 95 95 5.3-7.0 ~12303=58, ~9585=57...(8) HB3 SER 9 + HB VAL 58 OK 25 92 50 55 6.0-8.5 9402/6959=30...(3) HA LEU 38 - HG3 MET 74 far 0 41 0 - 7.6-11.4 HA GLU 35 - HB VAL 58 far 0 93 0 - 8.2-10.6 HA TYR 41 - HG3 MET 74 far 0 54 0 - 8.4-11.5 HA GLU 35 - HG3 MET 74 far 0 56 0 - 8.7-12.3 HA GLU 44 - HG3 MET 74 far 0 42 0 - 9.4-11.8 HA ALA 89 - HB VAL 58 far 0 100 0 - 9.9-11.0 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 = 0.95: HB3 SER 59 + HA VAL 58 OK 95 95 100 100 4.0-5.4 4.0/6958=91, 4.6/9422=73...(9) 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 3.9-4.7 7020/10220=75...(19) H GLU 62 + QG2 VAL 58 OK 73 75 100 98 4.9-5.7 3.6/9448=68...(13) 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 99 100 100 100 2.1-2.8 9467=59, 3.0/9475=57...(24) H ASN 60 + QG2 VAL 58 OK 93 93 100 100 1.9-3.5 9410/2.1=56...(24) H SER 85 - QG2 VAL 58 far 0 88 0 - 7.3-8.5 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 4.2-4.6 3.6/9475=95...(16) H GLU 69 - QG2 VAL 58 far 0 87 0 - 7.4-8.2 H LEU 70 - QG2 VAL 58 far 0 70 0 - 8.4-9.4 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 4.2-4.6 4.0/9375=90...(14) 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 = 0.97: HA SER 9 + HB2 SER 59 OK 96 98 100 98 3.7-5.8 9405/1.8=91...(4) HB THR 84 + HB2 SER 59 OK 24 100 40 60 5.5-8.2 ~9843=53, 9835/9408=14 Violated in 1 structures by 0.00 A. Peak 9405 from cnoeabs.peaks (4.44, 4.04, 65.60 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.90: HA SER 9 + HB3 SER 59 OK 90 100 100 90 3.4-5.1 9404/1.8=53...(6) HB THR 84 - HB3 SER 59 far 0 100 0 - 6.6-9.0 Violated in 2 structures by 0.02 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 3.7-5.5 9828=94, 10728/3.0=85...(10) QG2 THR 80 - HB3 SER 59 far 0 93 0 - 8.5-10.0 HB2 ARG 81 - HB3 SER 59 far 0 79 0 - 10.0-12.5 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 3.4-5.7 9828/1.8=94, 9784/3.0=84...(7) QG2 THR 80 - HB2 SER 59 far 0 85 0 - 8.3-9.9 HB2 ARG 81 - HB2 SER 59 far 0 88 0 - 10.0-12.6 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 5 assignments used, quality = 1.00: QG2 VAL 58 + HB2 SER 59 OK 98 99 100 99 4.7-5.8 6960/6963=78...(9) QD1 LEU 14 + HB2 SER 59 OK 63 99 100 64 3.9-5.9 10402/9407=42, ~9409=18...(4) QD2 LEU 14 + HB2 SER 59 OK 56 88 95 66 3.7-6.5 10403/9407=31...(4) QG1 VAL 58 + HB2 SER 59 OK 23 68 35 98 5.4-6.7 4.2/6963=71, ~10726=58...(8) QD1 ILE 8 - HB2 SER 59 far 0 87 0 - 6.6-8.7 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 7 assignments used, quality = 0.99: QD2 LEU 14 + HB3 SER 59 OK 82 100 95 86 3.3-5.9 10403/9828=51...(5) QG2 VAL 58 + HB3 SER 59 OK 80 81 100 99 4.6-5.7 10726/3.0=83...(9) QG1 VAL 58 + HB3 SER 59 OK 56 95 60 98 5.4-6.3 6961/6964=73, ~10726=55...(9) QD1 LEU 14 + HB3 SER 59 OK 55 84 100 66 3.4-5.6 10402/9828=42...(4) QD1 ILE 8 - HB3 SER 59 far 0 100 0 - 6.0-8.1 QD1 LEU 64 - HB3 SER 59 far 0 61 0 - 8.7-9.6 QG1 VAL 5 - HB3 SER 59 far 0 88 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9423 from cnoeabs.peaks (2.52, 2.89, 40.34 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HB2 ASN 60 OK 100 100 100 100 2.0-4.1 1.8/10234=75...(9) HB2 ASP 61 - HB2 ASN 60 far 5 100 5 - 5.1-7.4 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 = 0.99: HG3 GLU 63 + HB3 ASN 60 OK 98 98 100 100 2.0-4.7 9423/1.8=79, ~10234=66...(8) HB2 ASP 61 + HB3 ASN 60 OK 66 100 75 88 4.3-6.3 6997/6993=71...(3) 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 2.9-4.6 9453=99, 9454/1.8=92...(10) H GLU 63 + HB2 ASN 60 OK 93 93 100 100 2.2-3.8 7023/9423=58, 9455=58...(11) 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 2.3-3.3 9454=100, 9453/1.8=83...(8) H GLU 63 + HB3 ASN 60 OK 93 94 100 99 2.1-3.9 9440/3.5=53, 4.5/9454=53...(10) Violated in 0 structures by 0.00 A. Peak 9441 from cnoeabs.peaks (7.72, 4.37, 57.35 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: H LEU 64 + HA ASP 61 OK 100 100 100 100 3.5-3.9 9470=100, 2810/9449=57...(17) H ASN 60 - HA ASP 61 far 10 99 10 - 4.8-5.5 Violated in 0 structures by 0.00 A. Peak 9445 from cnoeabs.peaks (1.47, 4.37, 57.35 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.94: HD2 LYS 82 + HA ASP 61 OK 84 98 90 96 2.6-4.5 9766=39, 1.8/9767=34...(15) HB3 LEU 64 + HA ASP 61 OK 61 94 65 99 3.8-4.7 1.8/9449=75, 9481=53...(19) HG LEU 64 - HA ASP 61 far 10 99 10 - 4.1-5.1 HG2 LYS 66 - HA ASP 61 far 0 93 0 - 7.5-10.1 HG3 LYS 66 - HA ASP 61 far 0 91 0 - 8.7-10.6 Violated in 12 structures by 0.17 A. Peak 9446 from cnoeabs.peaks (1.33, 4.37, 57.35 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.99: HB2 LYS 82 + HA ASP 61 OK 99 99 100 100 4.1-5.1 3.5/9766=70...(12) QB ALA 67 - HA ASP 61 far 0 100 0 - 6.8-7.6 HG3 LYS 68 - HA ASP 61 far 0 96 0 - 8.1-10.1 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 4 assignments used, quality = 0.95: QD2 LEU 64 + HA ASP 61 OK 95 95 100 100 2.4-3.5 3.1/9449=76, 3.1/9481=53...(18) QD1 LEU 57 - HA ASP 61 far 0 94 0 - 9.3-10.1 QD2 LEU 38 - HA ASP 61 far 0 88 0 - 9.3-11.0 QD1 LEU 38 - HA ASP 61 far 0 96 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 9448 from cnoeabs.peaks (0.68, 4.37, 57.35 ppm; 4.96 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 58 + HA ASP 61 OK 99 100 100 100 3.7-4.5 10219/9449=68, 9387=52...(13) QG1 VAL 58 - HA ASP 61 far 6 61 10 - 5.7-6.5 QD1 ILE 8 - HA ASP 61 far 0 82 0 - 7.8-9.2 QD1 ILE 56 - HA ASP 61 far 0 85 0 - 9.7-11.4 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 3 assignments used, quality = 0.99: HB2 LEU 64 + HA ASP 61 OK 99 100 100 99 2.4-3.1 9472=76, 1.8/9481=46...(17) HB3 GLU 62 - HA ASP 61 far 0 88 0 - 5.6-6.2 HG2 GLU 69 - HA ASP 61 far 0 96 0 - 9.4-10.9 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 9 assignments used, quality = 0.99: HB2 LEU 64 + HB3 ASP 61 OK 92 93 100 99 4.5-5.7 9449/3.0=78, ~9481=46...(14) HB2 LEU 64 + HB2 ASP 65 OK 66 66 100 100 4.3-5.7 7049/7055=80, ~9501=42...(25) HB3 GLU 62 + HB2 ASP 65 OK 54 76 75 95 5.2-6.2 3.0/2732=61, ~2864=59...(6) HB3 GLU 62 + HB3 ASP 61 OK 38 100 40 95 4.0-6.8 7007/7004=83, ~10743=40...(6) HG2 GLU 69 + HB2 ASP 65 OK 24 47 80 64 4.8-6.0 10763/1.8=25...(8) HB2 GLU 69 - HB2 ASP 65 far 2 47 5 - 5.4-8.1 HB3 GLU 69 - HB2 ASP 65 far 0 47 0 - 6.7-8.9 HB3 GLU 35 - HB2 ASP 65 far 0 71 0 - 8.6-12.3 HG2 GLU 69 - HB3 ASP 61 far 0 71 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 9451 from cnoeabs.peaks (1.47, 2.73, 40.38 ppm; 5.32 A): 6 out of 12 assignments used, quality = 1.00: HD2 LYS 82 + HB3 ASP 61 OK 82 98 85 99 3.6-6.7 9766/3.0=74, 9444/4.0=60...(9) HG LEU 64 + HB2 ASP 65 OK 74 74 100 100 3.6-5.5 9501/3.0=82...(15) HG2 LYS 66 + HB2 ASP 65 OK 65 66 100 99 3.3-6.2 4.8/7066=68, 9495/1.8=55...(9) HB3 LEU 64 + HB2 ASP 65 OK 63 67 95 100 5.8-7.1 2825/7055=74, ~9501=49...(21) HG LEU 64 + HB3 ASP 61 OK 30 99 30 100 5.5-7.4 ~9447=58, ~9449=54...(11) HG3 LYS 66 + HB2 ASP 65 OK 27 64 45 95 4.9-7.4 4.8/7066=68, ~9495=48...(6) HB3 LEU 64 - HB3 ASP 61 far 9 94 10 - 6.1-7.4 HG2 LYS 66 - HB3 ASP 61 far 0 93 0 - 7.0-11.5 HD2 LYS 82 - HB2 ASP 65 far 0 71 0 - 8.0-10.2 HG3 LYS 66 - HB3 ASP 61 far 0 91 0 - 8.2-12.0 HG LEU 38 - HB2 ASP 65 far 0 71 0 - 9.4-13.9 HG2 LYS 73 - HB2 ASP 65 far 0 65 0 - 9.9-14.1 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 4 assignments used, quality = 1.00: QD2 LEU 64 + HB3 ASP 61 OK 100 100 100 100 3.9-5.7 9447/3.0=84, ~9449=56...(13) QD2 LEU 64 + HB2 ASP 65 OK 76 76 100 100 4.4-5.9 9503/3.0=89...(17) QD2 LEU 38 - HB2 ASP 65 far 0 44 0 - 8.0-10.3 QD1 LEU 38 - HB2 ASP 65 far 0 76 0 - 8.1-10.2 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 8 assignments used, quality = 0.93: HG2 LYS 66 + HA GLU 63 OK 75 96 80 98 3.1-5.9 3.0/2771=65, 3.0/2884=47...(13) HG3 LYS 66 + HA GLU 63 OK 73 94 80 97 3.6-5.4 3.0/2771=65, 3.0/2884=47...(11) HB3 LEU 64 - HA GLU 63 far 0 96 0 - 6.0-6.2 HG LEU 38 - HA GLU 63 far 0 96 0 - 6.0-9.1 HG LEU 64 - HA GLU 63 far 0 100 0 - 6.7-7.0 HB2 LEU 38 - HA GLU 63 far 0 92 0 - 7.2-9.3 HD2 LYS 82 - HA GLU 63 far 0 96 0 - 7.4-8.6 HG3 LYS 39 - HA GLU 63 far 0 70 0 - 9.8-13.7 Violated in 4 structures by 0.16 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: QG1 VAL 58 + HA GLU 63 OK 88 88 100 100 3.6-3.9 10226=58, 9381/3.0=52...(32) QG2 VAL 58 + HA GLU 63 OK 85 90 95 100 4.2-5.1 2.1/10226=59...(26) QD1 ILE 8 + HA GLU 63 OK 85 98 90 96 3.5-5.2 3.0/10745=57...(13) QD1 ILE 56 - HA GLU 63 far 0 99 0 - 7.0-8.7 QD1 LEU 42 - HA GLU 63 far 0 99 0 - 8.6-9.7 HG13 ILE 56 - HA GLU 63 far 0 95 0 - 8.9-10.9 QD2 LEU 6 - HA GLU 63 far 0 99 0 - 9.3-11.7 QD2 LEU 14 - HA GLU 63 far 0 99 0 - 9.5-11.0 QG2 VAL 78 - HA GLU 63 far 0 87 0 - 9.5-12.1 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 10 assignments used, quality = 1.00: QG2 VAL 58 + HB2 GLU 63 OK 99 99 100 100 2.9-4.2 10220=75, 2.1/10700=69...(28) QD1 ILE 8 + HB2 GLU 63 OK 85 87 100 98 2.3-4.1 3.0/10744=44, 8308=40...(16) QG1 VAL 58 + HB2 GLU 63 OK 68 68 100 100 1.9-2.4 2.1/10700=69...(30) QD1 ILE 56 - HB2 GLU 63 far 0 90 0 - 6.5-7.9 QD2 LEU 14 - HB2 GLU 63 far 0 88 0 - 7.5-8.9 HG13 ILE 56 - HB2 GLU 63 far 0 79 0 - 8.0-9.9 QD2 LEU 6 - HB2 GLU 63 far 0 100 0 - 8.2-10.3 QD1 LEU 42 - HB2 GLU 63 far 0 100 0 - 8.7-9.8 QD1 LEU 14 - HB2 GLU 63 far 0 99 0 - 8.8-10.3 QG2 VAL 78 - HB2 GLU 63 far 0 65 0 - 9.0-11.6 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 10 assignments used, quality = 1.00: QG2 VAL 58 + HB3 GLU 63 OK 96 96 100 100 2.3-3.1 2.1/9375=61...(36) QG1 VAL 58 + HB3 GLU 63 OK 79 79 100 100 2.0-3.2 2.1/9375=61, 9381/1.8=46...(35) QD1 ILE 8 + HB3 GLU 63 OK 73 94 80 97 3.3-5.3 3.0/10746=44...(17) QD1 ILE 56 - HB3 GLU 63 far 0 96 0 - 7.2-8.8 QD2 LEU 14 - HB3 GLU 63 far 0 95 0 - 7.4-9.0 QD1 LEU 14 - HB3 GLU 63 far 0 97 0 - 8.6-9.6 HG13 ILE 56 - HB3 GLU 63 far 0 88 0 - 8.6-10.6 QD2 LEU 6 - HB3 GLU 63 far 0 100 0 - 9.4-11.6 QG2 VAL 78 - HB3 GLU 63 far 0 77 0 - 9.4-12.6 QD1 LEU 42 - HB3 GLU 63 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9463 from cnoeabs.peaks (0.72, 2.29, 36.00 ppm; 4.28 A): 2 out of 23 assignments used, quality = 1.00: QG1 VAL 58 + HG2 GLU 63 OK 100 100 100 100 3.1-4.8 10716=77, 9381/3.0=65...(24) QD1 ILE 8 + HG2 GLU 63 OK 55 98 60 94 3.7-6.5 8308/3.0=47...(10) QD1 LEU 42 - HG3 GLU 43 poor 5 24 20 - 4.7-6.0 QD1 ILE 15 - HG3 GLU 16 far 3 63 5 - 5.2-7.0 QG2 ILE 93 - HG2 GLU 23 far 0 39 0 - 6.1-7.5 QD2 LEU 14 - HG3 GLU 16 far 0 97 0 - 6.4-8.1 HG13 ILE 15 - HG3 GLU 16 far 0 73 0 - 6.5-8.0 QD1 LEU 64 - HG2 GLU 63 far 0 93 0 - 7.1-7.9 QD2 LEU 14 - HG2 GLU 63 far 0 97 0 - 7.3-10.2 QG2 VAL 78 - HG3 GLU 43 far 0 42 0 - 7.3-11.6 QD2 LEU 27 - HG2 GLU 23 far 0 55 0 - 7.4-9.0 QG1 VAL 78 - HG3 GLU 43 far 0 33 0 - 7.7-10.9 QD1 ILE 15 - HG2 GLU 63 far 0 63 0 - 8.0-10.8 QG1 VAL 5 - HG2 GLU 23 far 0 56 0 - 8.1-9.2 QD2 LEU 6 - HG3 GLU 43 far 0 22 0 - 8.3-10.5 QD1 ILE 56 - HG2 GLU 63 far 0 96 0 - 8.3-10.4 QD1 ILE 52 - HG3 GLU 43 far 0 29 0 - 8.3-10.0 HG13 ILE 93 - HG2 GLU 23 far 0 46 0 - 8.4-11.6 QD1 ILE 56 - HG3 GLU 43 far 0 38 0 - 9.0-11.1 QD2 LEU 6 - HG2 GLU 23 far 0 30 0 - 9.6-12.0 HG13 ILE 56 - HG2 GLU 63 far 0 99 0 - 9.9-12.4 HG13 ILE 15 - HG2 GLU 63 far 0 73 0 - 9.9-12.8 QD2 LEU 6 - HG2 GLU 63 far 0 65 0 - 9.9-12.6 Violated in 7 structures by 0.03 A. Peak 9464 from cnoeabs.peaks (6.87, 1.78, 29.93 ppm; 5.84 A): 1 out of 1 assignment used, quality = 0.95: HD21 ASN 60 + HB3 GLU 63 OK 95 100 95 100 2.7-6.8 9427/1.8=93, 9425/3.0=92...(10) Violated in 6 structures by 0.13 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 1.9-6.4 9426=99, 9425/1.8=99...(13) QE TYR 41 - HG3 GLU 43 far 0 38 0 - 8.1-10.6 Violated in 1 structures by 0.04 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 1.9-5.7 9425=99, 9426/1.8=89...(13) Violated in 1 structures by 0.03 A. Peak 9471 from cnoeabs.peaks (4.33, 3.75, 58.94 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.98: HA ASP 65 + HA LEU 64 OK 91 91 100 100 4.8-4.9 7100/7099=72...(24) HA ASP 61 + HA LEU 64 OK 75 75 100 100 5.3-5.9 9472/3.0=79, 9470/3.0=70...(15) HA ARG 81 + HA LEU 64 OK 30 81 40 92 5.5-6.9 9483/2843=46...(10) Violated in 0 structures by 0.00 A. Peak 9472 from cnoeabs.peaks (4.35, 2.11, 41.70 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.98: HA ASP 61 + HB2 LEU 64 OK 98 98 100 100 2.4-3.1 9449=97, 9481/1.8=54...(18) HA ASP 65 - HB2 LEU 64 poor 12 59 20 - 4.6-4.8 HA ARG 81 - HB2 LEU 64 far 0 99 0 - 5.9-7.4 Violated in 0 structures by 0.00 A. Peak 9473 from cnoeabs.peaks (1.35, 2.11, 41.70 ppm; 5.18 A): 3 out of 4 assignments used, quality = 1.00: HB2 LYS 82 + HB2 LEU 64 OK 100 100 100 100 2.6-3.9 10252/3.1=90, ~10253=61...(17) QB ALA 67 + HB2 LEU 64 OK 98 98 100 100 4.8-5.2 2981/3.0=88...(14) HG3 LYS 68 + HB2 LEU 64 OK 24 100 25 98 5.6-7.8 ~12320=55...(20) HG12 ILE 8 - HB2 LEU 64 far 0 98 0 - 9.3-10.8 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 7 assignments used, quality = 1.00: QG2 VAL 58 + HB2 LEU 64 OK 99 99 100 100 2.5-3.0 10219=82, 9475/3.0=67...(21) QG1 VAL 58 + HB2 LEU 64 OK 67 68 100 100 4.0-4.5 2.1/10219=64...(20) QD1 ILE 8 - HB2 LEU 64 far 0 87 0 - 5.9-7.2 QD1 ILE 56 - HB2 LEU 64 far 0 90 0 - 7.2-9.4 QG2 VAL 78 - HB2 LEU 64 far 0 65 0 - 8.7-11.9 HG13 ILE 56 - HB2 LEU 64 far 0 79 0 - 9.0-11.0 QD2 LEU 14 - HB2 LEU 64 far 0 88 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 9475 from cnoeabs.peaks (0.67, 3.75, 58.94 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 58 + HA LEU 64 OK 100 100 100 100 1.9-2.6 9388=72, 2.1/9385=55...(28) QD1 ILE 8 - HA LEU 64 far 3 65 5 - 4.0-5.2 QD1 ILE 56 - HA LEU 64 far 0 70 0 - 4.7-7.1 QD1 LEU 42 - HA LEU 64 far 0 96 0 - 8.0-9.2 QD2 LEU 6 - HA LEU 64 far 0 98 0 - 9.0-10.9 QD2 LEU 14 - HA LEU 64 far 0 68 0 - 9.2-10.1 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 99 100 100 100 1.9-2.8 10762/2843=63...(17) QG1 VAL 83 - HA LEU 64 far 0 63 0 - 7.6-8.5 QG2 VAL 83 - HA LEU 64 far 0 99 0 - 7.6-8.4 HG LEU 55 - HA LEU 64 far 0 99 0 - 9.2-10.3 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 9 assignments used, quality = 1.00: QG2 VAL 58 + HB3 LEU 64 OK 99 99 100 100 1.8-2.0 9475/3.0=58...(28) QG1 VAL 58 + HB3 LEU 64 OK 67 68 100 99 3.0-3.8 ~10219=38, 9383=34...(22) QD1 ILE 8 - HB3 LEU 64 far 0 87 0 - 5.3-6.5 QD1 ILE 56 - HB3 LEU 64 far 0 90 0 - 6.2-8.4 QG2 VAL 78 - HB3 LEU 64 far 0 65 0 - 7.7-11.0 HG13 ILE 56 - HB3 LEU 64 far 0 79 0 - 7.8-9.6 QD2 LEU 14 - HB3 LEU 64 far 0 88 0 - 8.7-9.8 QD1 LEU 14 - HB3 LEU 64 far 0 99 0 - 9.4-10.5 QD1 LEU 42 - HB3 LEU 64 far 0 100 0 - 9.8-11.1 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 3 assignments used, quality = 1.00: HB2 ASP 65 + QD2 LEU 64 OK 99 99 100 100 4.4-5.9 7055/7052=85...(17) HB3 ASP 61 + QD2 LEU 64 OK 99 99 100 99 3.9-5.7 3.0/9447=72, ~9449=46...(13) HE2 LYS 82 + QD2 LEU 64 OK 97 97 100 100 2.0-5.6 12331=79, 3.0/10940=70...(14) 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 8 assignments used, quality = 0.78: HE3 LYS 82 + QD2 LEU 64 OK 58 85 70 97 2.0-5.6 3.0/10940=43...(11) HE2 LYS 68 + QD2 LEU 64 OK 30 77 40 97 3.0-6.8 3.6/12320=42...(24) HE3 LYS 68 + QD2 LEU 64 OK 27 81 35 97 3.2-6.5 3.6/12320=42...(19) HB2 ASN 60 - QD2 LEU 64 far 0 98 0 - 6.5-7.6 HE2 LYS 68 - QD1 LEU 103 far 0 39 0 - 7.4-19.7 HE3 LYS 66 - QD2 LEU 64 far 0 91 0 - 8.1-10.8 HE3 LYS 68 - QD1 LEU 103 far 0 41 0 - 8.3-18.7 HE2 LYS 66 - QD2 LEU 64 far 0 96 0 - 8.8-10.5 Violated in 7 structures by 0.17 A. Peak 9480 from cnoeabs.peaks (4.35, 0.86, 25.46 ppm; 3.81 A): 3 out of 5 assignments used, quality = 1.00: HA ASP 61 + QD2 LEU 64 OK 97 98 100 100 2.4-3.5 9447=59, 9449/3.1=59...(18) HA ARG 81 + QD2 LEU 64 OK 85 99 90 96 3.4-5.0 7324/10247=47...(15) HA ASP 65 + QD2 LEU 64 OK 59 59 100 99 4.2-4.4 3.0/7052=57, 9503=35...(23) HA SER 102 - QD1 LEU 103 poor 17 41 70 59 3.4-5.9 7645/4.7=34, ~10112=11...(6) HA ARG 81 - QD1 LEU 103 far 0 57 0 - 7.9-17.1 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 3.8-4.7 9449/1.8=85...(20) HA ARG 81 + HB3 LEU 64 OK 27 100 30 91 4.5-5.9 7324/7336=34...(16) Violated in 17 structures by 0.17 A. Peak 9482 from cnoeabs.peaks (4.35, 1.48, 27.00 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.99: HA ASP 61 + HG LEU 64 OK 97 98 100 100 4.1-5.1 9449/3.0=78, 9447/2.1=73...(14) HA ASP 65 + HG LEU 64 OK 59 59 100 100 2.9-3.2 3.0/2833=65, 9501=49...(25) HA ARG 81 - HG LEU 64 far 5 99 5 - 5.3-7.1 HA ASP 65 - HG LEU 38 far 0 41 0 - 8.4-13.0 HA SER 102 - HG13 ILE 52 far 0 46 0 - 10.0-18.2 Violated in 0 structures by 0.00 A. Peak 9483 from cnoeabs.peaks (4.35, 0.74, 24.36 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.99: HA ARG 81 + QD1 LEU 64 OK 95 96 100 99 2.6-4.0 7324/7328=67, 3579=47...(19) HA ASP 65 + QD1 LEU 64 OK 71 71 100 100 3.3-4.4 3.0/7053=43, 9501/2.1=41...(35) HA ASP 61 - QD1 LEU 64 far 5 93 5 - 4.8-5.6 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: HE2 LYS 68 + QD1 LEU 64 OK 99 99 100 100 1.9-5.4 10265=49, 3.0/10264=41...(31) HE3 LYS 68 + QD1 LEU 64 OK 94 100 95 100 1.9-5.5 10265=49, 3.0/10264=41...(26) HB2 ASN 60 - QD1 LEU 64 far 0 99 0 - 7.5-8.6 HE3 LYS 66 - QD1 LEU 64 far 0 100 0 - 7.9-10.1 HE2 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.7-10.1 Violated in 2 structures by 0.01 A. Peak 9485 from cnoeabs.peaks (2.88, 1.48, 27.00 ppm; 4.75 A): 3 out of 13 assignments used, quality = 0.83: HE2 LYS 68 + HG LEU 64 OK 56 77 75 97 2.0-6.5 9484/2.1=32, ~10242=31...(19) HE3 LYS 68 + HG LEU 64 OK 47 81 60 97 2.4-6.9 ~10242=31, 9484/2.1=30...(20) HE3 LYS 82 + HG LEU 64 OK 25 85 30 97 4.6-8.6 ~12331=48, 9479/2.1=46...(11) HE3 LYS 39 - HG LEU 38 far 8 80 10 - 5.3-9.8 HE2 LYS 39 - HG LEU 38 far 8 78 10 - 4.4-10.4 HE3 LYS 94 - HG3 ARG 91 far 3 33 10 - 4.2-9.8 HE3 LYS 66 - HG LEU 38 far 0 68 0 - 7.1-12.2 HE2 LYS 66 - HG LEU 38 far 0 74 0 - 7.4-12.5 HE3 LYS 66 - HG LEU 64 far 0 91 0 - 7.7-10.7 HB2 ASN 60 - HG LEU 64 far 0 98 0 - 8.0-9.3 HE2 LYS 66 - HG LEU 64 far 0 96 0 - 8.7-10.5 HE2 LYS 68 - HG LEU 38 far 0 55 0 - 9.6-15.5 HE2 LYS 20 - HG3 ARG 91 far 0 32 0 - 10.0-18.8 Violated in 7 structures by 0.09 A. Peak 9486 from cnoeabs.peaks (4.70, 0.74, 24.36 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: HA LYS 82 + QD1 LEU 64 OK 100 100 100 100 4.0-5.0 3.0/7328=84, ~10252=50...(20) HA ARG 79 - QD1 LEU 64 far 0 96 0 - 6.0-6.6 HA LEU 55 - QD1 LEU 64 far 0 84 0 - 7.3-7.9 Violated in 8 structures by 0.08 A. Peak 9487 from cnoeabs.peaks (8.19, 2.71, 40.20 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: H LYS 68 + HB2 ASP 65 OK 100 100 100 100 5.5-5.8 7100/3.0=95...(8) H LYS 68 - HB3 ASP 61 far 0 76 0 - 9.3-11.3 Violated in 13 structures by 0.04 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...(16) H GLU 104 - HB3 ASP 77 far 0 61 0 - 7.4-16.9 Violated in 0 structures by 0.00 A. Peak 9493 from cnoeabs.peaks (1.85, 2.64, 40.20 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.96: HB3 LYS 66 + HB3 ASP 65 OK 94 99 95 100 4.1-5.9 7070/7067=86...(10) HB3 LYS 68 + HB3 ASP 65 OK 28 93 30 99 5.1-7.3 2857/3.0=47, 4.0/9488=41...(21) HB2 LYS 53 - HB3 ASP 77 far 15 97 15 - 5.2-7.4 HB2 LYS 68 - HB3 ASP 65 far 5 97 5 - 5.5-7.5 HB VAL 54 - HB3 ASP 77 far 0 69 0 - 6.8-8.6 HG2 ARG 46 - HB3 ASP 77 far 0 80 0 - 7.8-11.6 HB3 GLU 104 - HB3 ASP 77 far 0 92 0 - 10.0-20.3 Violated in 7 structures by 0.05 A. Peak 9494 from cnoeabs.peaks (1.63, 2.64, 40.20 ppm; 5.29 A): 5 out of 10 assignments used, quality = 0.99: HD2 LYS 66 + HB3 ASP 65 OK 78 81 100 97 3.7-5.9 7073/7067=57...(8) HG2 LYS 68 + HB3 ASP 65 OK 68 98 70 100 4.3-7.7 10268/3.0=67...(19) HD2 LYS 68 + HB3 ASP 65 OK 62 88 70 100 4.2-8.6 10563/3.0=43, ~10268=42...(22) HD3 LYS 68 + HB3 ASP 65 OK 36 90 40 100 5.0-9.2 10563/3.0=44, ~10268=42...(22) HB ILE 76 + HB3 ASP 77 OK 33 94 35 100 5.6-6.5 3.0/10770=81...(13) HB3 ARG 79 - HB3 ASP 77 far 0 83 0 - 7.9-10.4 HB2 ARG 79 - HB3 ASP 77 far 0 77 0 - 8.1-10.3 HD3 LYS 73 - HB3 ASP 65 far 0 65 0 - 8.8-13.3 HD2 LYS 73 - HB3 ASP 65 far 0 61 0 - 9.3-13.4 HG3 LYS 73 - HB3 ASP 65 far 0 75 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 9495 from cnoeabs.peaks (1.46, 2.64, 40.20 ppm; 4.01 A): 3 out of 12 assignments used, quality = 0.82: HG2 LYS 66 + HB3 ASP 65 OK 68 75 100 91 2.9-4.5 4.8/7067=43, 3.0/9493=36...(11) HG2 LYS 53 + HB3 ASP 77 OK 27 99 30 92 3.7-6.3 3.9/9678=42...(12) HG3 LYS 53 + HB3 ASP 77 OK 23 98 25 93 3.6-7.8 3.9/9678=42, ~9674=28...(11) HG LEU 64 - HB3 ASP 65 far 14 92 15 - 4.5-5.4 HD2 LYS 53 - HB3 ASP 77 far 10 99 10 - 4.4-8.3 HG3 LYS 66 - HB3 ASP 65 far 7 71 10 - 4.6-6.2 HB3 LEU 64 - HB3 ASP 65 far 0 77 0 - 6.0-7.2 HG13 ILE 52 - HB3 ASP 77 far 0 99 0 - 6.3-8.7 HG13 ILE 76 - HB3 ASP 77 far 0 85 0 - 6.7-7.6 HD2 LYS 82 - HB3 ASP 65 far 0 100 0 - 8.7-10.5 HG LEU 38 - HB3 ASP 65 far 0 100 0 - 9.0-13.1 HG2 LYS 73 - HB3 ASP 65 far 0 73 0 - 9.2-12.9 Violated in 2 structures by 0.01 A. Peak 9496 from cnoeabs.peaks (0.86, 2.64, 40.20 ppm; 5.00 A): 2 out of 7 assignments used, quality = 0.95: QG2 ILE 76 + HB3 ASP 77 OK 81 82 100 100 3.4-4.6 3.2/10770=73...(14) QD2 LEU 64 + HB3 ASP 65 OK 75 100 75 100 4.6-5.9 7052/7056=83...(19) QD1 LEU 103 - HB3 ASP 77 far 5 98 5 - 5.7-15.0 QD2 LEU 103 - HB3 ASP 77 far 4 73 5 - 4.0-13.8 QD2 LEU 38 - HB3 ASP 65 far 0 68 0 - 7.0-10.0 QD1 LEU 38 - HB3 ASP 65 far 0 100 0 - 7.3-9.8 QD1 LEU 2 - HB3 ASP 77 far 0 83 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 9497 from cnoeabs.peaks (0.73, 2.64, 40.20 ppm; 5.32 A): 3 out of 13 assignments used, quality = 0.99: QD1 LEU 64 + HB3 ASP 65 OK 94 99 95 100 5.6-6.3 4.9/7056=73, 9504/3.0=73...(26) QG1 VAL 78 + HB3 ASP 77 OK 71 95 75 100 4.6-6.9 4.0/7276=75, ~8181=53...(13) QG2 VAL 78 + HB3 ASP 77 OK 29 97 30 100 5.0-7.0 8181/3.0=76, 4.0/7276=75...(14) QD1 ILE 52 - HB3 ASP 77 far 6 61 10 - 5.9-8.1 QD2 LEU 42 - HB3 ASP 77 far 0 65 0 - 6.4-7.8 QG1 VAL 58 - HB3 ASP 65 far 0 99 0 - 6.7-7.7 QD1 ILE 8 - HB3 ASP 65 far 0 90 0 - 7.1-9.3 QG1 VAL 54 - HB3 ASP 77 far 0 75 0 - 7.2-9.2 QD1 ILE 56 - HB3 ASP 65 far 0 87 0 - 8.3-10.8 QD1 ILE 56 - HB3 ASP 77 far 0 85 0 - 8.6-10.0 QD1 LEU 6 - HB3 ASP 77 far 0 57 0 - 9.6-11.1 QG2 VAL 78 - HB3 ASP 65 far 0 99 0 - 9.6-12.5 HG13 ILE 56 - HB3 ASP 77 far 0 93 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (1.85, 2.71, 40.20 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.97: HB3 LYS 66 + HB2 ASP 65 OK 96 96 100 100 5.0-6.1 7070/7066=91...(8) HB3 LYS 68 + HB2 ASP 65 OK 25 85 30 99 5.0-7.4 2856/3.0=52, 4.0/9487=51...(18) HB2 LYS 68 - HB2 ASP 65 far 5 99 5 - 5.7-7.5 HB3 LYS 66 - HB3 ASP 61 far 0 70 0 - 8.4-10.9 HB3 LYS 68 - HB3 ASP 61 far 0 59 0 - 8.9-12.0 HB2 LYS 68 - HB3 ASP 61 far 0 74 0 - 9.9-12.9 Violated in 13 structures by 0.08 A. Peak 9499 from cnoeabs.peaks (0.73, 2.71, 40.20 ppm; 6.41 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 64 + HB2 ASP 65 OK 99 99 100 100 4.9-6.5 4.9/7055=94, 9504/3.0=90...(21) QG1 VAL 58 + HB2 ASP 65 OK 85 99 100 86 6.6-7.2 9507/7066=46...(7) QD1 LEU 64 + HB3 ASP 61 OK 55 73 75 100 6.3-7.7 ~9447=78, ~9449=74...(11) QD1 ILE 8 - HB2 ASP 65 far 0 90 0 - 7.6-9.2 QG1 VAL 58 - HB3 ASP 61 far 0 73 0 - 7.7-8.4 QD1 ILE 56 - HB2 ASP 65 far 0 87 0 - 8.5-11.1 QD1 ILE 8 - HB3 ASP 61 far 0 62 0 - 9.6-11.0 QG2 VAL 78 - HB2 ASP 65 far 0 99 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 9500 from cnoeabs.peaks (1.62, 4.31, 57.27 ppm; 3.77 A): 3 out of 10 assignments used, quality = 0.98: HG2 LYS 68 + HA ASP 65 OK 83 93 90 99 1.8-4.9 7109/7100=48...(25) HD3 LYS 68 + HA ASP 65 OK 72 81 90 99 2.1-6.4 10563=37, 3.5/2857=35...(26) HD2 LYS 68 + HA ASP 65 OK 66 79 85 99 2.0-5.9 10563=37, 3.5/2857=35...(26) HD2 LYS 39 - HA ASP 36 poor 6 30 20 - 3.7-7.1 HB2 LYS 40 - HA ASP 36 far 6 37 15 - 4.3-5.7 HD3 LYS 39 - HA ASP 36 far 2 41 5 - 3.8-6.6 HD2 LYS 66 - HA ASP 65 far 0 90 0 - 5.4-7.8 HD2 LYS 66 - HA ASP 36 far 0 38 0 - 8.4-13.4 HG3 LYS 73 - HA ASP 65 far 0 85 0 - 9.3-10.9 HG3 LYS 73 - HA ASP 36 far 0 35 0 - 9.7-13.6 Violated in 2 structures by 0.05 A. Peak 9501 from cnoeabs.peaks (1.49, 4.31, 57.27 ppm; 4.17 A): 1 out of 15 assignments used, quality = 1.00: HG LEU 64 + HA ASP 65 OK 100 100 100 100 2.9-3.2 2.1/9503=70, 2833/3.0=57...(31) HG LEU 38 - HA ASP 36 poor 9 34 25 - 4.2-8.2 HB2 LEU 38 - HA ASP 36 far 2 31 5 - 5.0-7.4 HD3 LYS 40 - HA ASP 36 far 0 39 0 - 5.1-8.5 HG2 LYS 66 - HA ASP 65 far 0 100 0 - 5.2-6.4 HB3 LEU 64 - HA ASP 65 far 0 100 0 - 5.5-5.6 HD2 LYS 40 - HA ASP 36 far 0 39 0 - 6.0-8.5 HG3 LYS 66 - HA ASP 65 far 0 99 0 - 6.8-7.6 HG3 LYS 66 - HA ASP 36 far 0 46 0 - 8.1-11.9 HG LEU 38 - HA ASP 65 far 0 84 0 - 8.4-13.0 HD2 LYS 82 - HA ASP 65 far 0 84 0 - 9.0-10.1 HG2 LYS 73 - HA ASP 65 far 0 100 0 - 9.0-12.3 HG2 LYS 66 - HA ASP 36 far 0 47 0 - 9.4-13.3 HG2 LYS 73 - HA ASP 36 far 0 47 0 - 9.8-13.8 HB2 LEU 38 - HA ASP 65 far 0 77 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 9502 from cnoeabs.peaks (1.34, 4.31, 57.27 ppm; 4.51 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 67 + HA ASP 65 OK 100 100 100 100 4.8-5.3 2985/7100=68...(16) HG3 LYS 68 + HA ASP 65 OK 89 99 90 100 2.8-5.8 1.8/10268=60...(22) HG2 LYS 39 - HA ASP 36 far 7 48 15 - 4.8-6.7 HG3 LYS 40 - HA ASP 36 far 0 41 0 - 6.1-7.7 HB2 LEU 70 - HA ASP 36 far 0 33 0 - 6.9-9.1 HB2 LYS 82 - HA ASP 65 far 0 100 0 - 7.0-8.1 HB2 LEU 70 - HA ASP 65 far 0 81 0 - 7.7-9.8 QB ALA 67 - HA ASP 36 far 0 48 0 - 7.9-10.1 HB3 LEU 42 - HA ASP 36 far 0 23 0 - 9.1-10.2 HG12 ILE 8 - HA ASP 36 far 0 38 0 - 9.6-11.4 Violated in 2 structures by 0.03 A. Peak 9503 from cnoeabs.peaks (0.86, 4.31, 57.27 ppm; 4.23 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 64 + HA ASP 65 OK 100 100 100 100 4.2-4.4 2.1/9501=74, 7052/3.0=69...(27) QD1 LEU 38 - HA ASP 36 poor 12 48 25 - 4.3-7.2 QD2 LEU 38 - HA ASP 36 far 3 26 10 - 4.8-7.3 QG2 VAL 32 - HA ASP 36 far 0 34 0 - 6.6-7.3 QD1 LEU 38 - HA ASP 65 far 0 100 0 - 7.5-9.3 QD2 LEU 38 - HA ASP 65 far 0 68 0 - 7.6-9.3 HG13 ILE 8 - HA ASP 36 far 0 31 0 - 9.4-11.8 Violated in 19 structures by 0.10 A. Peak 9504 from cnoeabs.peaks (0.74, 4.31, 57.27 ppm; 4.83 A): 1 out of 13 assignments used, quality = 1.00: QD1 LEU 64 + HA ASP 65 OK 100 100 100 100 3.3-4.4 2.1/9501=88, 2.1/9503=88...(37) QG1 VAL 58 - HA ASP 65 far 0 88 0 - 6.2-6.9 QD1 ILE 56 - HA ASP 65 far 0 65 0 - 6.8-9.7 QD1 ILE 8 - HA ASP 36 far 0 27 0 - 7.1-9.2 QD1 ILE 8 - HA ASP 65 far 0 70 0 - 7.2-8.7 QG2 VAL 78 - HA ASP 65 far 0 90 0 - 7.7-10.8 QD1 LEU 6 - HA ASP 36 far 0 33 0 - 7.9-9.3 HG13 ILE 56 - HA ASP 65 far 0 79 0 - 8.5-12.0 QD2 LEU 42 - HA ASP 36 far 0 37 0 - 8.7-9.5 QD1 ILE 56 - HA ASP 36 far 0 25 0 - 8.8-10.7 QG1 VAL 78 - HA ASP 65 far 0 100 0 - 8.9-10.3 QD2 LEU 42 - HA ASP 65 far 0 88 0 - 9.2-11.0 QG1 VAL 58 - HA ASP 36 far 0 37 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 9508 from cnoeabs.peaks (3.90, 1.49, 24.58 ppm; 4.66 A): 3 out of 8 assignments used, quality = 0.99: HA GLU 63 + HG3 LYS 66 OK 95 96 100 99 3.6-5.4 2771/3.0=76, 2884/3.0=54...(11) HA GLU 63 + HG2 LYS 66 OK 76 95 80 100 3.1-5.9 2771/3.0=76, 2884/3.0=54...(13) HA GLU 35 + HG3 LYS 66 OK 24 99 30 82 4.9-8.0 3.0/10434=36...(8) HA GLU 35 - HG2 LYS 66 far 0 98 0 - 6.2-9.4 HB3 SER 9 - HG3 LYS 33 far 0 54 0 - 7.6-9.7 HA LEU 38 - HG3 LYS 33 far 0 59 0 - 8.4-9.7 HA GLU 35 - HG3 LYS 33 far 0 72 0 - 9.0-9.3 HA LEU 38 - HG3 LYS 66 far 0 87 0 - 9.4-12.4 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 3 assignments used, quality = 0.98: HA GLU 63 + HD2 LYS 66 OK 96 96 100 100 4.1-6.6 2771/3.6=90...(11) HA GLU 35 + HD2 LYS 66 OK 53 98 55 98 5.6-9.7 4.1/12289=77...(15) HB3 SER 9 - HG2 ARG 19 far 0 65 0 - 9.1-13.6 Violated in 2 structures by 0.02 A. Peak 9510 from cnoeabs.peaks (3.87, 2.90, 41.80 ppm; 6.22 A): 6 out of 33 assignments used, quality = 1.00: HA LYS 94 + HE3 LYS 94 OK 97 97 100 100 4.3-6.5 6.0=100 HA LYS 94 + HE2 LYS 94 OK 85 85 100 100 3.6-6.7 6.0=100 HA ARG 91 + HE3 LYS 94 OK 81 87 100 93 2.4-6.5 4198/4.8=35, 4186/4.8=27...(12) HA ARG 91 + HE2 LYS 94 OK 68 73 100 93 3.0-6.6 4198/4.8=35, 4186/4.8=27...(12) HA LYS 40 + HE3 LYS 39 OK 27 73 60 61 5.0-8.8 10561/4.9=30...(5) HA GLU 35 + HE3 LYS 39 OK 26 63 50 84 4.5-9.2 10561/4.9=26...(11) HA LYS 40 - HE2 LYS 39 poor 20 57 35 - 4.3-8.5 HA GLU 35 - HE3 LYS 66 poor 19 93 20 - 5.7-10.5 HA GLU 35 - HE2 LYS 39 poor 18 48 45 84 4.2-10.1 10561/4.9=26...(11) HA GLU 43 - HE3 LYS 39 far 10 67 15 - 6.2-10.6 HA ALA 67 - HE3 LYS 66 far 10 97 10 - 6.0-8.9 HA ALA 67 - HE2 LYS 66 far 10 96 10 - 6.8-8.7 HA GLU 35 - HE2 LYS 66 far 9 91 10 - 5.1-11.0 HA ALA 71 - HE2 LYS 39 far 7 46 15 - 6.2-10.2 HA ALA 71 - HE3 LYS 39 far 6 60 10 - 5.9-10.2 HA LEU 38 - HE2 LYS 39 far 6 56 10 - 6.8-10.0 HA ALA 67 - HE2 LYS 68 far 5 94 5 - 6.9-9.6 HA LEU 38 - HE3 LYS 39 far 4 72 5 - 7.0-10.2 HA ALA 67 - HE2 LYS 39 far 0 52 0 - 7.2-11.4 HA GLU 43 - HE2 LYS 39 far 0 52 0 - 7.5-10.7 HA ALA 67 - HE3 LYS 68 far 0 95 0 - 7.5-9.9 HA ALA 67 - HE3 LYS 39 far 0 68 0 - 7.7-11.6 HA ALA 71 - HE3 LYS 68 far 0 87 0 - 8.6-12.0 HA ALA 71 - HE2 LYS 68 far 0 85 0 - 8.8-11.5 HA LYS 12 - HE3 LYS 20 far 0 91 0 - 8.8-13.5 HA LYS 12 - HE2 LYS 20 far 0 92 0 - 8.8-13.1 HA ALA 89 - HE3 LYS 94 far 0 66 0 - 9.1-12.7 HA ALA 71 - HE3 LYS 66 far 0 90 0 - 9.2-14.3 HA ARG 91 - HE2 LYS 20 far 0 86 0 - 9.3-15.9 HA ARG 91 - HE3 LYS 20 far 0 84 0 - 9.4-15.8 HA LEU 38 - HE3 LYS 66 far 0 100 0 - 9.6-15.4 HA ALA 89 - HE2 LYS 94 far 0 54 0 - 9.8-12.9 HA LEU 38 - HE2 LYS 66 far 0 99 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 9511 from cnoeabs.peaks (0.79, 4.08, 58.43 ppm; 3.71 A): 4 out of 22 assignments used, quality = 0.99: QD1 ILE 76 + HA ARG 46 OK 84 84 100 100 2.3-4.2 9639=83, 3.2/9513=47...(22) QD1 LEU 70 + HA LYS 66 OK 74 87 90 95 3.2-5.7 9517/3.7=42, 9506/3.0=29...(16) QG2 ILE 52 + HA ARG 46 OK 57 82 85 82 3.6-5.2 3.1/9512=49...(10) QD2 LEU 70 + HA LYS 66 OK 25 96 30 86 2.6-5.4 3166/7139=29, ~9506=25...(13) QD2 LEU 38 - HA LYS 66 far 0 75 0 - 4.9-7.9 QD2 LEU 42 - HA ARG 46 far 0 68 0 - 5.6-6.9 QD1 ILE 93 - HA GLU 17 far 0 47 0 - 5.6-7.4 QG2 ILE 15 - HA GLU 17 far 0 51 0 - 6.4-6.7 QD2 LEU 2 - HA ARG 46 far 0 78 0 - 7.0-8.3 QD1 LEU 27 - HA LYS 24 far 0 53 0 - 7.1-8.1 QG1 VAL 54 - HA ARG 46 far 0 60 0 - 7.3-9.1 QD1 ILE 15 - HA GLU 17 far 0 36 0 - 7.7-8.6 QG2 ILE 8 - HA LYS 66 far 0 100 0 - 7.7-9.2 QG2 ILE 7 - HA GLU 17 far 0 58 0 - 7.9-8.5 QD2 LEU 42 - HA LYS 66 far 0 85 0 - 8.2-9.8 HG13 ILE 15 - HA GLU 17 far 0 30 0 - 8.6-9.2 QD1 LEU 6 - HA ARG 46 far 0 73 0 - 8.7-10.2 QD1 ILE 93 - HA LYS 24 far 0 55 0 - 8.8-9.7 QD1 LEU 57 - HA GLU 17 far 0 32 0 - 9.1-11.3 QG2 VAL 32 - HA LYS 66 far 0 57 0 - 9.1-10.8 QD2 LEU 57 - HA GLU 17 far 0 58 0 - 9.2-11.6 QD1 LEU 6 - HA LYS 66 far 0 91 0 - 9.5-11.0 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 15 assignments used, quality = 0.79: QD1 ILE 52 + HA ARG 46 OK 79 86 100 92 3.4-4.8 9151/3.0=42, 9171=38...(12) QD1 ILE 8 - HA LYS 66 far 0 99 0 - 6.2-7.8 QG2 VAL 78 - HA ARG 46 far 0 72 0 - 6.2-9.8 QD2 LEU 14 - HA GLU 17 far 0 57 0 - 6.5-7.7 QD1 LEU 42 - HA LYS 66 far 0 99 0 - 6.5-8.2 QG1 VAL 58 - HA LYS 66 far 0 91 0 - 6.6-7.3 QD1 ILE 56 - HA LYS 66 far 0 99 0 - 6.8-9.2 QD1 LEU 14 - HA GLU 17 far 0 47 0 - 6.9-8.2 QD1 LEU 42 - HA ARG 46 far 0 83 0 - 7.2-8.3 QG2 VAL 58 - HA LYS 66 far 0 87 0 - 7.5-8.0 QD2 LEU 27 - HA LYS 24 far 0 45 0 - 7.6-8.3 QG2 VAL 78 - HA LYS 66 far 0 90 0 - 8.1-10.6 QG1 VAL 5 - HA GLU 17 far 0 42 0 - 8.7-10.0 HG13 ILE 56 - HA LYS 66 far 0 96 0 - 8.8-11.5 QD1 ILE 56 - HA ARG 46 far 0 85 0 - 9.6-10.8 Violated in 16 structures by 0.26 A. Peak 9513 from cnoeabs.peaks (0.87, 4.08, 58.43 ppm; 4.12 A): 1 out of 9 assignments used, quality = 0.80: QG2 ILE 76 + HA ARG 46 OK 80 81 100 99 2.6-4.2 3.2/9639=60...(25) QD1 LEU 38 - HA LYS 66 far 10 99 10 - 4.9-7.4 QD1 LEU 2 - HA ARG 46 far 0 82 0 - 6.5-9.6 QG1 VAL 32 - HA LYS 66 far 0 61 0 - 7.6-9.7 QD2 LEU 64 - HA LYS 66 far 0 100 0 - 7.8-8.0 HG13 ILE 8 - HA LYS 66 far 0 94 0 - 9.0-10.7 QG2 VAL 32 - HA LYS 66 far 0 61 0 - 9.1-10.8 QD1 LEU 38 - HA ARG 46 far 0 84 0 - 9.2-12.8 HG13 ILE 7 - HA GLU 17 far 0 45 0 - 9.5-10.9 Violated in 1 structures by 0.00 A. Peak 9514 from cnoeabs.peaks (0.80, 1.77, 31.73 ppm; 4.71 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 70 + HB2 LYS 66 OK 98 98 100 100 1.9-5.1 9517/3.0=83...(19) QD2 LEU 70 + HB2 LYS 66 OK 97 100 100 97 3.2-5.2 ~9517=53, ~9516=39...(16) QD2 LEU 38 - HB2 LYS 66 poor 14 93 45 33 2.9-6.7 9519/7086=12, 9516/1.8=8...(7) QG2 ILE 8 - HB2 LYS 66 far 0 95 0 - 6.3-7.4 QG2 VAL 32 - HB2 LYS 66 far 0 81 0 - 7.7-9.4 QD2 LEU 42 - HB2 LYS 66 far 0 63 0 - 8.3-9.5 QD1 LEU 6 - HB2 LYS 66 far 0 71 0 - 8.4-10.0 QD1 ILE 76 - HB2 LYS 66 far 0 100 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 9515 from cnoeabs.peaks (0.71, 1.77, 31.73 ppm; 6.02 A): 3 out of 10 assignments used, quality = 0.95: QG1 VAL 58 + HB2 LYS 66 OK 85 98 100 87 5.7-6.7 10226/2884=61...(5) QD1 ILE 8 + HB2 LYS 66 OK 58 100 100 58 4.9-6.8 328/7069=26...(6) QD1 ILE 56 + HB2 LYS 66 OK 26 100 45 58 6.3-8.5 9536/10776=37...(4) QD1 LEU 42 - HB2 LYS 66 lone 5 93 40 14 6.3-7.6 9545/2892=7...(3) QD1 LEU 64 - HB2 LYS 66 far 0 70 0 - 7.0-8.0 QG2 VAL 58 - HB2 LYS 66 far 0 73 0 - 7.1-8.0 QG2 VAL 78 - HB2 LYS 66 far 0 97 0 - 8.5-10.6 HG13 ILE 56 - HB2 LYS 66 far 0 100 0 - 8.5-10.8 QG1 VAL 78 - HB2 LYS 66 far 0 61 0 - 9.0-10.2 QD2 LEU 6 - HB2 LYS 66 far 0 91 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 9516 from cnoeabs.peaks (0.80, 1.86, 31.73 ppm; 4.75 A): 2 out of 13 assignments used, quality = 0.88: QD1 LEU 70 + HB3 LYS 66 OK 84 94 90 100 3.1-6.5 9517/3.0=81...(21) QD1 ILE 93 + HB3 LYS 90 OK 23 24 100 96 3.6-5.5 10025/3.0=57, ~4129=36...(10) QD2 LEU 70 - HB3 LYS 66 poor 20 99 20 - 4.4-6.5 QD2 LEU 38 - HB3 LYS 66 poor 13 85 50 29 3.7-6.8 9519/7087=10...(5) QG2 ILE 8 - HB3 LYS 66 far 10 99 10 - 5.1-6.8 QD2 LEU 57 - HB3 LYS 90 far 0 36 0 - 7.2-9.5 QD1 LEU 57 - HB3 LYS 90 far 0 22 0 - 7.4-9.4 QG2 ILE 15 - HB3 LYS 90 far 0 33 0 - 7.4-11.1 QG2 VAL 32 - HB3 LYS 66 far 0 70 0 - 7.5-9.6 QG2 ILE 7 - HB3 LYS 90 far 0 36 0 - 7.5-11.0 QD1 LEU 6 - HB3 LYS 66 far 0 82 0 - 8.2-10.6 QD1 LEU 27 - HB3 LYS 90 far 0 23 0 - 8.3-10.1 QD2 LEU 42 - HB3 LYS 66 far 0 75 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 9517 from cnoeabs.peaks (0.81, 1.49, 24.58 ppm; 3.59 A): 1 out of 18 assignments used, quality = 0.26: QD1 LEU 70 + HG3 LYS 66 OK 26 100 30 86 2.7-6.8 9516/3.0=25, 9506/4.8=24...(17) QD1 LEU 70 - HG2 LYS 66 far 10 100 10 - 3.3-7.5 QD2 LEU 70 - HG3 LYS 66 far 5 100 5 - 4.2-6.5 QD2 LEU 70 - HG2 LYS 66 far 5 100 5 - 4.4-7.0 QD2 LEU 38 - HG3 LYS 66 far 5 98 5 - 4.1-8.3 QG2 ILE 8 - HG3 LYS 33 far 0 61 0 - 4.7-6.2 QD2 LEU 38 - HG2 LYS 66 far 0 97 0 - 5.1-8.7 QG2 VAL 32 - HG3 LYS 33 far 0 62 0 - 5.2-5.6 QG2 ILE 7 - HG3 LYS 33 far 0 72 0 - 5.6-6.5 QG2 ILE 8 - HG3 LYS 66 far 0 88 0 - 5.7-8.2 QG2 ILE 15 - HG3 LYS 33 far 0 76 0 - 6.0-7.5 QG2 ILE 8 - HG2 LYS 66 far 0 88 0 - 6.5-9.1 QD2 LEU 38 - HG3 LYS 33 far 0 71 0 - 7.0-8.2 QD1 LEU 6 - HG3 LYS 33 far 0 38 0 - 8.1-9.6 QG2 VAL 32 - HG3 LYS 66 far 0 90 0 - 8.7-10.9 QG2 VAL 32 - HG2 LYS 66 far 0 89 0 - 9.5-11.4 QD1 LEU 70 - HG3 LYS 33 far 0 75 0 - 9.5-12.4 QD1 LEU 6 - HG3 LYS 66 far 0 59 0 - 9.9-11.8 Violated in 18 structures by 1.21 A. Peak 9524 from cnoeabs.peaks (0.82, 3.85, 55.40 ppm; 3.28 A): 4 out of 22 assignments used, quality = 0.98: QD1 LEU 70 + HA ALA 67 OK 80 99 90 90 1.9-5.7 9540=27, 4.6/7140=25...(15) QD2 LEU 38 + HA ALA 67 OK 64 100 85 75 2.6-4.5 9526/2.1=28, 2.1/1659=23...(15) QD1 LEU 38 + HA ALA 67 OK 48 65 100 73 2.3-3.9 1659=18, 9526/2.1=17...(17) QD1 ILE 76 + HA ALA 71 OK 40 63 70 90 2.8-4.7 3.2/9648=23...(18) QD1 LEU 38 - HA ALA 71 poor 16 45 35 - 3.8-7.1 QD2 LEU 70 - HA ALA 67 far 0 95 0 - 4.2-5.5 QD1 LEU 70 - HA ALA 71 far 0 77 0 - 5.0-5.8 QD2 LEU 70 - HA ALA 71 far 0 71 0 - 5.2-5.9 QG2 VAL 32 - HA ALA 67 far 0 100 0 - 5.8-7.3 QD2 LEU 38 - HA ALA 71 far 0 80 0 - 6.1-8.2 QG2 ILE 8 - HA ALA 67 far 0 61 0 - 6.3-7.5 QD2 LEU 57 - HA ALA 22 far 0 44 0 - 7.0-9.0 QD1 ILE 76 - HA ALA 67 far 0 87 0 - 7.6-9.3 QD2 LEU 64 - HA ALA 67 far 0 61 0 - 7.9-8.2 QG2 VAL 32 - HA ALA 71 far 0 78 0 - 8.2-9.3 QD2 LEU 57 - HA ALA 67 far 0 79 0 - 8.6-9.4 QD1 LEU 57 - HA ALA 67 far 0 100 0 - 8.6-10.7 QD1 LEU 57 - HA ALA 22 far 0 65 0 - 8.8-10.0 QG2 ILE 7 - HA ALA 22 far 0 48 0 - 8.9-10.1 QG2 ILE 15 - HA ALA 22 far 0 59 0 - 9.1-10.3 QG2 ILE 7 - HA ALA 67 far 0 84 0 - 9.7-10.9 QD2 LEU 103 - HA ALA 71 far 0 80 0 - 9.8-19.1 Violated in 0 structures by 0.00 A. Peak 9525 from cnoeabs.peaks (0.72, 3.85, 55.40 ppm; 3.49 A): 6 out of 28 assignments used, quality = 0.99: QD1 ILE 56 + HA ALA 67 OK 78 96 85 95 3.0-5.2 ~10677=34, 10681/2.1=29...(19) QG2 VAL 78 + HA ALA 71 OK 67 80 85 99 2.6-5.5 2.1/10658=53, ~10210=38...(20) QG1 VAL 78 + HA ALA 71 OK 57 64 90 98 2.4-4.6 10290/2.1=41, ~9685=35...(19) QD1 LEU 42 + HA ALA 71 OK 46 48 100 95 2.0-3.2 2.1/8924=53...(24) QG2 ILE 93 + HA ALA 22 OK 42 46 100 93 1.9-3.1 10028=30, 11002/3.0=26...(23) QD1 ILE 8 + HA ALA 67 OK 28 98 65 44 3.7-4.9 10681/2.1=20, 8306=10...(10) QD1 LEU 42 - HA ALA 67 poor 10 70 35 43 3.7-5.1 9542/7140=15...(9) HG13 ILE 56 - HA ALA 67 far 5 99 5 - 4.3-6.9 QD1 ILE 56 - HA ALA 71 lone 5 73 40 16 3.9-6.4 9550/3.0=5, 8306=3...(6) HG13 ILE 93 - HA ALA 22 far 3 54 5 - 4.1-7.2 QG1 VAL 58 - HA ALA 67 far 0 100 0 - 4.5-5.4 QD2 LEU 27 - HA ALA 22 far 0 64 0 - 4.8-5.3 QG1 VAL 5 - HA ALA 22 far 0 65 0 - 4.8-6.3 QG2 VAL 78 - HA ALA 67 far 0 100 0 - 5.1-7.3 QD1 LEU 64 - HA ALA 67 far 0 93 0 - 5.6-6.2 QG1 VAL 78 - HA ALA 67 far 0 88 0 - 5.6-6.9 QG1 VAL 54 - HA ALA 71 far 0 40 0 - 6.1-7.7 HG13 ILE 56 - HA ALA 71 far 0 78 0 - 6.1-8.1 QD2 LEU 6 - HA ALA 67 far 0 65 0 - 6.6-9.0 QG1 VAL 54 - HA ALA 67 far 0 59 0 - 7.2-8.1 QD1 ILE 8 - HA ALA 71 far 0 75 0 - 7.8-9.1 QD2 LEU 6 - HA ALA 71 far 0 45 0 - 8.3-9.4 QD1 ILE 52 - HA ALA 71 far 0 57 0 - 8.4-9.8 QD1 LEU 64 - HA ALA 71 far 0 69 0 - 8.4-9.6 QD2 LEU 6 - HA ALA 22 far 0 36 0 - 8.8-11.0 QG1 VAL 58 - HA ALA 71 far 0 80 0 - 8.9-10.1 QG1 VAL 54 - HA ALA 22 far 0 32 0 - 9.0-10.0 QG1 VAL 5 - HA ALA 67 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9526 from cnoeabs.peaks (0.82, 1.34, 17.79 ppm; 3.14 A): 3 out of 13 assignments used, quality = 0.90: QD2 LEU 38 + QB ALA 67 OK 65 100 100 65 2.1-3.8 9524/2.1=16, ~1659=12...(20) QD1 LEU 70 + QB ALA 67 OK 53 99 65 82 3.3-6.5 9506/9505=21...(19) QD1 LEU 38 + QB ALA 67 OK 39 65 95 62 2.3-4.2 1659/2.1=13, ~9524=9...(20) QG2 ILE 8 - QB ALA 67 far 0 61 0 - 4.5-5.5 QG2 VAL 32 - QB ALA 67 far 0 100 0 - 4.6-5.9 QD2 LEU 70 - QB ALA 67 far 0 95 0 - 5.1-6.3 QD2 LEU 64 - QB ALA 67 far 0 61 0 - 5.2-5.6 QD2 LEU 57 - QB ALA 67 far 0 79 0 - 5.7-6.4 QD1 LEU 57 - QB ALA 67 far 0 100 0 - 5.7-7.3 QG2 ILE 7 - QB ALA 67 far 0 84 0 - 7.2-8.1 QD1 ILE 76 - QB ALA 67 far 0 87 0 - 7.4-8.8 QD2 LEU 103 - QB ALA 67 far 0 100 0 - 9.0-16.9 QG2 ILE 15 - QB ALA 67 far 0 96 0 - 9.8-10.9 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 14 assignments used, quality = 1.00: QD1 ILE 56 + QB ALA 67 OK 87 100 95 91 1.8-4.0 3.0/9528=36...(15) QG1 VAL 58 + QB ALA 67 OK 86 99 100 87 2.2-2.9 9384=35, 10223/9732=26...(21) QD1 ILE 8 + QB ALA 67 OK 58 100 100 58 2.2-3.1 10681=21, 8313/9528=16...(14) QD1 LEU 64 + QB ALA 67 OK 47 75 75 83 3.2-3.8 4.0/2981=23...(20) QG2 VAL 58 + QB ALA 67 OK 30 68 65 67 3.4-4.2 2.1/9384=28...(15) HG13 ILE 56 - QB ALA 67 far 10 100 10 - 2.7-4.8 QG2 VAL 78 - QB ALA 67 far 0 99 0 - 3.9-6.1 QD1 LEU 42 - QB ALA 67 far 0 90 0 - 4.4-5.4 QG1 VAL 78 - QB ALA 67 far 0 68 0 - 4.4-6.1 QD2 LEU 6 - QB ALA 67 far 0 87 0 - 5.3-7.2 QG1 VAL 5 - QB ALA 67 far 0 96 0 - 7.0-7.8 HG3 ARG 81 - QB ALA 67 far 0 79 0 - 7.9-9.0 QD2 LEU 14 - QB ALA 67 far 0 100 0 - 8.1-9.0 QD1 LEU 14 - QB ALA 67 far 0 71 0 - 9.4-10.5 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 = 0.94: QG2 ILE 56 + QB ALA 67 OK 94 96 100 98 1.8-2.5 9325=59, 9734/9732=37...(25) QD1 ILE 7 - QB ALA 67 far 0 63 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 9539 from cnoeabs.peaks (3.85, 1.70, 27.00 ppm; 4.94 A): 2 out of 7 assignments used, quality = 0.99: HA ALA 67 + HG LEU 70 OK 99 100 100 99 3.6-4.9 7140/3150=69...(16) HA GLU 35 + HG LEU 70 OK 40 75 55 95 4.3-7.1 9541/2.1=37...(17) HA ALA 71 - HG LEU 70 far 0 99 0 - 6.4-6.6 HA LEU 38 - HG LEU 70 far 0 94 0 - 6.7-9.3 HA LYS 40 - HG LEU 70 far 0 99 0 - 9.0-11.5 HA LYS 12 - HG2 PRO 86 far 0 75 0 - 9.5-11.2 HA ARG 91 - HG2 PRO 86 far 0 48 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 9540 from cnoeabs.peaks (3.87, 0.81, 25.21 ppm; 3.24 A): 4 out of 21 assignments used, quality = 0.99: HA ALA 67 + QD1 LEU 70 OK 78 97 90 89 1.9-5.7 9524=32, 7140/4.6=24...(16) HA GLU 35 + QD1 LEU 70 OK 72 93 90 86 2.0-5.1 10609=26, 9541/2.1=20...(22) HA LEU 38 + QD2 LEU 38 OK 65 66 100 98 1.9-4.1 3.8=60, 1659/2.1=42...(28) HA ALA 67 + QD2 LEU 38 OK 41 62 85 78 2.6-4.5 2.1/9526=27, 9524=25...(15) HA GLU 35 - QD2 LEU 38 poor 19 57 40 83 1.9-4.7 10168/2.1=26...(18) HA ALA 89 - QD2 LEU 57 poor 13 36 35 - 4.0-4.7 HA LEU 38 - QD1 LEU 70 far 0 100 0 - 4.2-6.7 HA ALA 71 - QD1 LEU 70 far 0 90 0 - 5.0-5.8 HA ALA 71 - QD2 LEU 38 far 0 54 0 - 6.1-8.2 HA LYS 40 - QD1 LEU 70 far 0 100 0 - 6.7-8.4 HA LYS 40 - QD2 LEU 38 far 0 67 0 - 7.7-8.2 HB2 SER 102 - QD2 LEU 57 far 0 45 0 - 7.7-14.3 HA ARG 91 - QD2 LEU 57 far 0 51 0 - 8.0-9.1 HA LYS 94 - QD2 LEU 57 far 0 61 0 - 8.1-9.2 HA GLU 43 - QD1 LEU 70 far 0 96 0 - 8.2-10.0 HA LEU 38 - QD2 LEU 57 far 0 60 0 - 8.6-9.9 HA ALA 67 - QD2 LEU 57 far 0 56 0 - 8.6-9.4 HA2 GLY 101 - QD2 LEU 57 far 0 61 0 - 8.7-15.0 HA GLU 43 - QD2 LEU 38 far 0 61 0 - 9.5-10.7 HB2 SER 85 - QD2 LEU 57 far 0 34 0 - 9.7-10.7 HA3 GLY 101 - QD2 LEU 57 far 0 46 0 - 9.7-14.9 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 = 0.71: HA GLU 35 + QD2 LEU 70 OK 43 95 50 91 3.5-6.4 10609/2.1=28...(23) HA ALA 89 + QD1 LEU 57 OK 35 37 100 95 1.9-4.3 3.0/9926=48...(17) HA ALA 67 + QD2 LEU 70 OK 22 96 25 93 4.2-5.5 7140/3166=40...(13) HA ALA 71 - QD2 LEU 70 far 0 87 0 - 5.2-5.9 HA LEU 38 - QD2 LEU 70 far 0 100 0 - 5.5-7.9 HB2 SER 102 - QD1 LEU 57 far 0 45 0 - 6.4-15.9 HA LYS 40 - QD2 LEU 70 far 0 100 0 - 7.0-9.4 HB2 SER 85 - QD1 LEU 57 far 0 35 0 - 7.1-9.6 HA ARG 91 - QD1 LEU 57 far 0 50 0 - 7.3-8.6 HA GLU 43 - QD2 LEU 70 far 0 98 0 - 8.0-10.5 HA LYS 94 - QD1 LEU 57 far 0 58 0 - 8.6-9.5 HA ALA 67 - QD1 LEU 57 far 0 52 0 - 8.6-10.7 HA2 GLY 101 - QD1 LEU 57 far 0 58 0 - 8.7-16.6 HA3 GLY 101 - QD1 LEU 57 far 0 46 0 - 9.2-16.5 HA LEU 38 - QD1 LEU 57 far 0 58 0 - 9.7-11.7 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 = 0.96: QD1 LEU 42 + HB2 LEU 70 OK 96 100 100 97 2.4-3.5 9544/1.8=69...(14) QD1 ILE 56 - HB2 LEU 70 poor 8 98 30 28 4.1-6.6 9542/3133=12...(5) QG2 VAL 78 - HB2 LEU 70 far 0 82 0 - 5.5-7.4 QD1 ILE 8 - HB2 LEU 70 far 0 96 0 - 6.0-7.6 HG13 ILE 56 - HB2 LEU 70 far 0 92 0 - 6.7-9.3 QG1 VAL 58 - HB2 LEU 70 far 0 84 0 - 7.4-9.1 QG2 VAL 54 - HB2 LEU 70 far 0 57 0 - 8.1-9.8 QD2 LEU 6 - HB2 LEU 70 far 0 99 0 - 8.1-9.8 QG2 VAL 58 - HB2 LEU 70 far 0 93 0 - 8.7-10.6 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 9 assignments used, quality = 0.97: QD1 LEU 42 + HB3 LEU 70 OK 97 100 100 97 2.0-3.8 9543/1.8=63, 10404=58...(10) QD1 ILE 56 - HB3 LEU 70 poor 5 87 25 25 4.2-6.3 9542/3142=11, 9543/1.8=5...(6) QG2 VAL 78 - HB3 LEU 70 far 0 61 0 - 5.4-7.3 QD1 ILE 8 - HB3 LEU 70 far 0 84 0 - 5.8-8.0 HG13 ILE 56 - HB3 LEU 70 far 0 75 0 - 5.9-9.2 QG1 VAL 58 - HB3 LEU 70 far 0 63 0 - 6.9-9.1 QD2 LEU 6 - HB3 LEU 70 far 0 100 0 - 8.3-10.0 QG2 VAL 58 - HB3 LEU 70 far 0 99 0 - 8.4-10.9 QG2 VAL 54 - HB3 LEU 70 far 0 79 0 - 8.4-9.7 Violated in 4 structures by 0.02 A. Peak 9545 from cnoeabs.peaks (0.67, 1.70, 27.00 ppm; 4.23 A): 2 out of 8 assignments used, quality = 0.90: QD1 LEU 14 + HG2 PRO 86 OK 74 74 100 100 3.1-5.1 8411/3.8=61, 9889/1.8=53...(28) QD1 LEU 42 + HG LEU 70 OK 63 95 70 94 4.2-5.6 9544/3.0=65, 9543/3.0=49...(7) QD1 ILE 56 - HG LEU 70 far 0 65 0 - 5.5-8.1 QD2 LEU 14 - HG2 PRO 86 far 0 40 0 - 5.6-7.1 QD1 ILE 8 - HG LEU 70 far 0 61 0 - 6.5-8.1 QD2 LEU 6 - HG LEU 70 far 0 96 0 - 8.7-11.7 QG2 VAL 58 - HG LEU 70 far 0 100 0 - 9.2-10.3 QD1 LEU 29 - HG2 PRO 86 far 0 66 0 - 9.9-11.4 Violated in 4 structures by 0.02 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 3.2-5.0 10822/2.1=99...(23) HA LYS 39 + QD2 LEU 38 OK 58 58 100 100 5.0-5.8 ~6599=75, 10547/4.5=73...(22) Violated in 0 structures by 0.00 A. Peak 9547 from cnoeabs.peaks (2.90, 0.81, 25.21 ppm; 6.50 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 66 + QD1 LEU 70 OK 100 100 100 100 4.6-7.2 3.6/9517=99...(14) HE3 LYS 66 + QD1 LEU 70 OK 100 100 100 100 4.2-7.4 3.6/9517=99...(14) HE3 LYS 39 + QD1 LEU 70 OK 93 93 100 100 2.0-6.5 ~10821=48, 10821/2.1=43...(22) HE2 LYS 39 + QD1 LEU 70 OK 85 85 100 100 2.0-6.4 ~10821=48, 10821/2.1=43...(22) HE3 LYS 39 - QD2 LEU 38 poor 17 57 30 - 5.7-9.1 HE2 LYS 39 - QD2 LEU 38 poor 15 51 30 - 4.5-9.2 HE2 LYS 66 - QD2 LEU 38 far 10 67 15 - 6.4-10.5 HE3 LYS 66 - QD2 LEU 38 far 10 66 15 - 5.5-10.5 HB2 ASN 60 - QD2 LEU 38 far 0 67 0 - 7.7-10.7 HE2 LYS 68 - QD1 LEU 70 far 0 97 0 - 8.0-11.0 HE3 LYS 68 - QD1 LEU 70 far 0 98 0 - 8.3-10.3 HE3 LYS 68 - QD2 LEU 57 far 0 57 0 - 8.6-13.2 HE3 LYS 68 - QD2 LEU 38 far 0 63 0 - 8.7-11.6 HE2 LYS 68 - QD2 LEU 38 far 0 62 0 - 9.1-11.5 HB2 ASN 60 - QD1 LEU 70 far 0 100 0 - 9.4-12.5 HE2 LYS 68 - QD2 LEU 57 far 0 56 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 9548 from cnoeabs.peaks (2.19, 0.81, 25.21 ppm; 4.41 A): 2 out of 17 assignments used, quality = 1.00: HG3 GLU 35 + QD1 LEU 70 OK 97 99 100 98 1.9-4.9 2.9/9549=30...(28) HG2 GLU 35 + QD1 LEU 70 OK 96 99 100 98 1.9-4.5 2.9/9549=30...(28) HG3 GLU 35 - QD2 LEU 38 poor 17 64 35 75 2.2-7.5 12063/3.1=27...(12) HG2 GLU 35 - QD2 LEU 38 poor 16 64 35 72 2.6-8.1 ~12063=21, 4.1/10167=17...(11) HB2 GLU 63 - QD2 LEU 38 lone 4 63 50 13 4.7-6.0 8308/324=7, 3.0/10745=3, 10744=3 HB2 GLU 63 - QD1 LEU 70 far 0 98 0 - 6.4-9.8 HG2 GLU 43 - QD1 LEU 70 far 0 100 0 - 6.4-8.8 HB2 GLU 95 - QD2 LEU 57 far 0 52 0 - 7.1-9.2 HB3 GLU 95 - QD2 LEU 57 far 0 43 0 - 7.6-9.8 HB2 GLU 63 - QD2 LEU 57 far 0 57 0 - 8.2-9.1 HB2 GLN 72 - QD1 LEU 70 far 0 90 0 - 8.2-9.3 HG3 GLU 75 - QD1 LEU 70 far 0 99 0 - 8.5-12.1 HG2 GLU 43 - QD2 LEU 38 far 0 67 0 - 8.6-9.6 HG2 GLU 99 - QD2 LEU 57 far 0 33 0 - 9.1-12.2 HG2 GLU 104 - QD2 LEU 57 far 0 30 0 - 9.1-18.2 HG2 GLU 75 - QD1 LEU 70 far 0 98 0 - 9.3-12.4 HB3 GLU 75 - QD1 LEU 70 far 0 100 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 9549 from cnoeabs.peaks (2.01, 0.81, 25.21 ppm; 4.04 A): 5 out of 19 assignments used, quality = 0.95: HB2 GLU 35 + QD1 LEU 70 OK 83 100 85 97 1.9-5.4 1.8/10420=30...(22) HB2 GLU 37 + QD2 LEU 38 OK 34 39 100 86 4.1-4.3 8837=45, 6581/4.5=32...(11) QE MET 74 + QD1 LEU 70 OK 31 99 35 91 3.7-5.6 10282/4.0=38...(19) HG12 ILE 93 + QD2 LEU 57 OK 21 45 85 56 2.6-5.1 9266/9269=19...(14) HB2 GLU 35 + QD2 LEU 38 OK 21 67 35 89 3.7-7.1 ~10168=21, 3.0/10167=19...(23) HB2 GLU 37 - QD1 LEU 70 far 0 70 0 - 5.9-8.1 QE MET 74 - QD2 LEU 38 far 0 64 0 - 6.0-6.8 HB2 MET 21 - QD2 LEU 57 far 0 29 0 - 6.7-8.5 HB2 GLU 62 - QD2 LEU 38 far 0 67 0 - 7.1-11.0 HB2 GLU 62 - QD1 LEU 70 far 0 100 0 - 7.4-11.5 HB3 GLU 17 - QD2 LEU 57 far 0 60 0 - 7.7-10.4 HB3 LYS 94 - QD2 LEU 57 far 0 58 0 - 8.2-9.8 HB2 GLU 44 - QD2 LEU 38 far 0 64 0 - 8.5-11.8 HB3 GLU 99 - QD2 LEU 57 far 0 45 0 - 9.0-12.5 HB2 GLU 99 - QD2 LEU 57 far 0 38 0 - 9.2-12.6 HB2 ARG 46 - QD1 LEU 70 far 0 63 0 - 9.6-13.1 HB3 GLU 44 - QD2 LEU 38 far 0 64 0 - 9.8-12.8 HG12 ILE 93 - QD2 LEU 38 far 0 50 0 - 9.8-13.6 HB2 GLU 37 - QD2 LEU 57 far 0 35 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 9551 from cnoeabs.peaks (2.52, 3.85, 55.14 ppm; 4.60 A): 1 out of 7 assignments used, quality = 0.98: HG2 MET 74 + HA ALA 71 OK 98 99 100 100 3.2-4.8 9613=72, 1.8/9552=70...(13) HG3 GLU 23 - HA ALA 22 far 2 44 5 - 5.4-6.7 HG3 GLN 72 - HA ALA 71 far 0 91 0 - 5.9-6.9 HG3 GLN 72 - HA ALA 67 far 0 67 0 - 7.9-10.0 HG2 MET 74 - HA ALA 67 far 0 76 0 - 7.9-9.0 HG3 GLU 63 - HA ALA 67 far 0 80 0 - 8.4-9.3 HG3 GLU 95 - HA ALA 22 far 0 58 0 - 9.8-12.0 Violated in 4 structures by 0.02 A. Peak 9552 from cnoeabs.peaks (2.62, 3.85, 55.14 ppm; 4.96 A): 1 out of 7 assignments used, quality = 0.90: HG3 MET 74 + HA ALA 71 OK 90 100 90 100 2.9-6.2 1.8/9551=88, 9611=78...(17) HB3 ASP 65 - HA ALA 67 far 0 66 0 - 7.2-8.3 HB VAL 58 - HA ALA 67 far 0 67 0 - 7.4-8.3 HG3 MET 74 - HA ALA 67 far 0 79 0 - 7.6-10.7 HB3 TYR 41 - HA ALA 71 far 0 93 0 - 8.1-10.2 HB3 ASP 77 - HA ALA 71 far 0 96 0 - 8.4-9.4 HB3 TYR 41 - HA ALA 67 far 0 69 0 - 8.8-11.9 Violated in 7 structures by 0.24 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 95 99 100 95 1.7-2.7 10290=48, 2.1/9685=36...(22) QG2 VAL 78 + QB ALA 71 OK 90 96 100 94 1.7-3.0 2.1/10210=42...(22) QD2 LEU 42 + QB ALA 71 OK 48 79 100 61 1.8-3.3 8924/2.1=21...(13) QD1 ILE 56 - QB ALA 71 lone 6 77 90 8 2.0-4.2 3481/9685=4, 9550/7165=3 HG13 ILE 56 - QB ALA 71 far 0 88 0 - 3.9-5.7 QG1 VAL 54 - QB ALA 71 far 0 87 0 - 4.3-5.4 QD1 LEU 6 - QB ALA 71 far 0 71 0 - 4.5-5.8 QD1 LEU 64 - QB ALA 71 far 0 100 0 - 5.5-6.7 QD1 ILE 8 - QB ALA 71 far 0 81 0 - 5.7-6.9 QG1 VAL 58 - QB ALA 71 far 0 95 0 - 6.4-7.3 QG1 VAL 5 - QB ALA 71 far 0 99 0 - 8.0-9.0 HG3 ARG 81 - QB ALA 71 far 0 100 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 9559 from cnoeabs.peaks (4.00, 2.23, 28.06 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.97: HA GLU 69 + HB3 GLN 72 OK 97 99 100 97 2.0-3.3 9560/1.8=62, 9562/3.0=34...(11) HA LEU 70 - HB3 GLN 72 far 0 95 0 - 5.1-5.8 HA GLU 75 - HB3 GLN 72 far 0 100 0 - 5.9-7.0 Violated in 0 structures by 0.00 A. Peak 9560 from cnoeabs.peaks (3.98, 2.16, 28.06 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.91: HA GLU 69 + HB2 GLN 72 OK 91 99 95 97 3.1-5.0 9559/1.8=69, 9562/3.0=35...(10) HA GLU 75 - HB2 GLN 72 far 14 96 15 - 4.7-6.1 HA LEU 70 - HB2 GLN 72 far 0 68 0 - 5.9-7.0 Violated in 15 structures by 0.26 A. Peak 9561 from cnoeabs.peaks (4.01, 2.42, 33.99 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.97: HA GLU 69 + HG2 GLN 72 OK 95 96 100 100 3.6-5.7 9559/3.0=81, 9562/1.8=60...(13) HA GLU 75 + HG2 GLN 72 OK 25 99 35 71 5.0-7.4 10833/3.9=51...(4) HA LEU 70 - HG2 GLN 72 far 0 99 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. Peak 9562 from cnoeabs.peaks (4.00, 2.54, 33.99 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.93: HA GLU 69 + HG3 GLN 72 OK 90 100 90 100 2.9-6.1 9559/3.0=80, 9560/3.0=74...(12) HA GLU 75 + HG3 GLN 72 OK 27 100 35 77 4.9-7.4 10833/3.9=64...(4) HA LEU 70 - HG3 GLN 72 far 0 90 0 - 6.5-8.0 Violated in 5 structures by 0.03 A. Peak 9563 from cnoeabs.peaks (1.89, 2.54, 33.99 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.58: HB3 LYS 68 + HG3 GLN 72 OK 58 96 60 100 3.9-8.3 12167=56, 3.0/12324=55...(17) HB VAL 54 - HG3 GLN 72 far 0 100 0 - 9.1-11.6 HG LEU 42 - HG3 GLN 72 far 0 99 0 - 9.9-11.8 Violated in 14 structures by 0.86 A. Peak 9564 from cnoeabs.peaks (1.64, 2.54, 33.99 ppm; 5.21 A): 3 out of 8 assignments used, quality = 0.67: HG2 LYS 68 + HG3 GLN 72 OK 34 100 35 98 5.3-8.4 2.9/9563=63...(14) HD2 LYS 68 + HG3 GLN 72 OK 34 98 35 98 3.3-9.2 9574/3.5=59, 3.5/9563=58...(14) HD3 LYS 68 + HG3 GLN 72 OK 24 98 25 98 4.8-9.0 3.5/9563=58, ~9574=44...(15) HB ILE 76 - HG3 GLN 72 far 0 100 0 - 6.4-9.1 HD2 LYS 73 - HG3 GLN 72 far 0 81 0 - 7.7-9.4 HD3 LYS 73 - HG3 GLN 72 far 0 84 0 - 7.9-9.9 HB3 ARG 79 - HG3 GLN 72 far 0 96 0 - 8.4-12.0 HB2 ARG 79 - HG3 GLN 72 far 0 59 0 - 8.6-12.3 Violated in 9 structures by 0.63 A. Peak 9565 from cnoeabs.peaks (1.37, 2.54, 33.99 ppm; 5.39 A): 2 out of 4 assignments used, quality = 0.81: QB ALA 71 + HG3 GLN 72 OK 65 65 100 100 3.9-5.0 3.6/7175=88, 5.0/3187=68...(12) HG3 LYS 68 + HG3 GLN 72 OK 46 84 55 99 3.9-8.1 2.9/9563=68...(16) HB2 LEU 70 - HG3 GLN 72 far 0 100 0 - 7.1-9.2 QB ALA 67 - HG3 GLN 72 far 0 61 0 - 7.1-8.9 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 8 assignments used, quality = 0.93: QG2 VAL 78 + HG3 GLN 72 OK 80 100 85 94 4.8-7.2 9569/1.8=39, 8386/3.9=39...(8) QG1 VAL 78 + HG3 GLN 72 OK 67 95 80 89 4.6-7.2 9569/1.8=44, 8386/3.9=36...(6) QD2 LEU 42 - HG3 GLN 72 far 3 61 5 - 6.5-8.6 QD1 ILE 56 - HG3 GLN 72 lone 3 91 25 11 6.1-9.4 10567/9563=8, 9553/12298=1 QD1 LEU 64 - HG3 GLN 72 far 0 98 0 - 6.9-8.9 HG13 ILE 56 - HG3 GLN 72 far 0 97 0 - 8.6-11.9 QG1 VAL 54 - HG3 GLN 72 far 0 71 0 - 9.0-11.2 QG1 VAL 58 - HG3 GLN 72 far 0 99 0 - 9.9-12.0 Violated in 2 structures by 0.01 A. Peak 9567 from cnoeabs.peaks (1.61, 2.42, 33.99 ppm; 5.78 A): 3 out of 9 assignments used, quality = 0.72: HG2 LYS 68 + HG2 GLN 72 OK 45 82 55 99 5.8-7.8 ~9563=59, 4.0/12325=53...(15) HG3 LYS 73 + HG2 GLN 72 OK 33 95 35 100 6.4-7.5 10841/3.0=82...(7) HD3 LYS 68 + HG2 GLN 72 OK 23 65 35 99 5.0-8.4 ~9574=54, ~9563=53...(17) HD2 LYS 68 - HG2 GLN 72 poor 19 63 30 - 3.7-8.2 HB ILE 76 - HG2 GLN 72 poor 11 79 30 47 6.1-8.2 10834/9568=37...(3) HG3 LYS 47 - HG3 GLN 50 far 0 97 0 - 7.1-13.3 HB2 ARG 79 - HG2 GLN 72 far 0 96 0 - 8.0-12.3 HB3 ARG 79 - HG2 GLN 72 far 0 59 0 - 8.2-12.2 HG3 LYS 47 - HG2 GLN 50 far 0 70 0 - 8.4-13.9 Violated in 6 structures by 0.07 A. Peak 9568 from cnoeabs.peaks (1.40, 2.42, 33.99 ppm; 5.76 A): 1 out of 5 assignments used, quality = 0.98: QB ALA 71 + HG2 GLN 72 OK 98 98 100 100 3.3-5.1 12298/1.8=96...(13) HB2 LEU 70 - HG2 GLN 72 far 0 77 0 - 7.2-8.9 HG13 ILE 76 - HG2 GLN 72 far 0 61 0 - 7.6-10.4 HG13 ILE 76 - HG2 GLN 50 far 0 36 0 - 9.1-13.8 HG13 ILE 76 - HG3 GLN 50 far 0 57 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 9569 from cnoeabs.peaks (0.74, 2.42, 33.99 ppm; 5.59 A): 2 out of 13 assignments used, quality = 0.93: QG1 VAL 78 + HG2 GLN 72 OK 78 100 85 92 4.3-6.8 10210/9568=53...(8) QG2 VAL 78 + HG2 GLN 72 OK 69 93 85 88 3.8-7.1 9566/1.8=40...(7) QD2 LEU 42 - HG2 GLN 72 poor 17 84 20 - 5.9-8.3 QG2 ILE 52 - HG3 GLN 50 poor 11 57 20 - 4.9-8.3 QG2 ILE 52 - HG2 GLN 50 poor 9 36 25 - 4.8-7.5 QD1 ILE 56 - HG2 GLN 72 lone 2 71 35 6 5.2-9.1 9553/9568=2...(3) QD1 LEU 64 - HG2 GLN 72 far 0 100 0 - 6.8-8.5 HG13 ILE 56 - HG2 GLN 72 far 0 84 0 - 8.3-12.2 QG1 VAL 54 - HG2 GLN 72 far 0 91 0 - 8.4-11.3 QG2 ILE 52 - HG2 GLN 72 far 0 61 0 - 9.2-11.5 QD1 LEU 6 - HG2 GLN 72 far 0 77 0 - 9.2-11.6 QG1 VAL 58 - HG2 GLN 72 far 0 92 0 - 9.7-11.8 QD1 ILE 8 - HG2 GLN 72 far 0 75 0 - 9.8-12.4 Violated in 1 structures by 0.01 A. Peak 9580 from cnoeabs.peaks (4.04, 1.67, 28.90 ppm; 3.88 A): 8 out of 20 assignments used, quality = 0.99: HA LYS 20 + HD3 LYS 20 OK 58 68 85 100 2.2-5.4 848/2.8=55, 5.3=40...(101) HA LEU 70 + HD2 LYS 73 OK 58 96 65 93 2.3-5.9 10813/3.0=43...(12) HA LYS 20 + HD2 LYS 20 OK 52 66 80 100 2.4-5.1 848/2.8=55, 5.3=40...(101) HA LEU 70 + HD3 LYS 73 OK 48 95 55 92 2.0-6.0 10813/3.0=43...(12) HA GLU 16 + HD2 LYS 20 OK 44 71 80 78 3.4-6.5 3.0/12058=19, ~12146=13...(18) HA GLU 16 + HD3 LYS 20 OK 37 73 65 79 3.3-6.9 3.0/12058=16, ~12146=15...(18) HA GLU 17 + HD2 LYS 20 OK 35 65 80 67 2.0-5.6 734/3.5=15, 894/2.8=14...(20) HA GLU 17 + HD3 LYS 20 OK 32 67 70 68 2.0-6.2 734/3.5=15, 894/2.8=14...(20) HA LYS 20 - HD3 LYS 24 poor 11 53 20 - 3.8-8.3 HA LYS 20 - HD2 LYS 24 far 3 56 5 - 3.5-7.7 HA ARG 46 - HD2 LYS 47 far 0 27 0 - 6.4-8.0 HA ARG 46 - HD3 LYS 47 far 0 26 0 - 6.5-7.9 HA GLU 95 - HB3 ARG 91 far 0 48 0 - 6.7-9.1 HA GLU 75 - HD2 LYS 73 far 0 68 0 - 7.0-9.9 HA GLU 75 - HD3 LYS 73 far 0 67 0 - 7.2-10.0 HB2 SER 49 - HD2 LYS 47 far 0 43 0 - 7.9-11.6 HA GLU 17 - HD3 LYS 24 far 0 53 0 - 7.9-11.7 HB2 SER 49 - HD3 LYS 47 far 0 42 0 - 8.9-11.0 HA GLU 17 - HD2 LYS 24 far 0 55 0 - 8.9-12.0 HA GLU 17 - HB3 ARG 91 far 0 46 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 9581 from cnoeabs.peaks (4.02, 1.60, 25.00 ppm; 5.31 A): 4 out of 10 assignments used, quality = 1.00: HA LEU 70 + HG3 LYS 73 OK 100 100 100 100 1.9-5.0 10813/1.8=94...(15) HA GLU 69 + HG3 LYS 73 OK 80 88 100 90 3.8-6.0 9559/10841=46...(11) HA GLU 17 + HG3 LYS 90 OK 36 39 95 98 4.1-6.4 2.9/12027=71...(8) HA LYS 20 + HG2 LYS 24 OK 22 62 90 39 5.3-7.5 3.6/10441=22...(3) HA GLU 75 - HG3 LYS 73 far 0 95 0 - 6.8-7.8 HA GLU 16 - HG3 LYS 12 far 0 81 0 - 6.9-8.9 HA LYS 20 - HG3 LYS 90 far 0 40 0 - 7.3-10.4 HB3 SER 97 - HG2 LYS 24 far 0 62 0 - 7.6-11.3 HA GLU 17 - HG2 LYS 24 far 0 60 0 - 8.2-10.9 HA GLU 16 - HG3 LYS 90 far 0 50 0 - 8.5-10.5 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 15 assignments used, quality = 0.99: HA LEU 70 + HB2 LYS 73 OK 80 90 100 89 2.0-4.1 10815=33, 10813/2.9=28...(15) HA LYS 20 + HB3 LYS 20 OK 72 72 100 100 2.4-3.0 3.0=100 HA LEU 70 + HB3 LYS 73 OK 55 89 70 88 3.4-5.1 10813/2.9=28...(14) HA GLU 17 + HB3 LYS 20 OK 42 71 90 66 2.7-4.9 727=23, 732/4.0=16...(10) HA LYS 20 - HB3 LYS 24 far 0 88 0 - 4.7-7.9 HA LYS 20 - HB2 LYS 24 far 0 88 0 - 4.9-7.6 HA GLU 16 - HB3 LYS 20 far 0 75 0 - 4.9-6.8 HA ARG 46 - HB2 LYS 47 far 0 62 0 - 6.5-6.6 HB2 SER 49 - HB2 LYS 47 far 0 85 0 - 7.1-9.2 HA LYS 66 - HB2 LYS 73 far 0 65 0 - 7.3-8.7 HA GLU 17 - HB3 LYS 24 far 0 87 0 - 7.9-11.1 HA LYS 66 - HB3 LYS 73 far 0 65 0 - 8.7-10.0 HA GLU 17 - HB2 LYS 24 far 0 87 0 - 8.9-11.1 HA GLU 95 - HB2 LYS 24 far 0 80 0 - 9.6-12.8 HA GLU 95 - HB3 LYS 24 far 0 80 0 - 9.6-12.2 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 2.5-5.0 9583/7226=92, 9645=90...(12) 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 2.6-3.3 12303=100, 6696/10280=51...(17) H ASP 36 - QE MET 74 far 0 98 0 - 8.1-9.2 H LYS 68 - QE MET 74 far 0 98 0 - 8.7-10.3 Violated in 0 structures by 0.00 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): 1 out of 2 assignments used, quality = 0.98: H LEU 42 + QE MET 74 OK 98 98 100 100 3.6-4.0 10590=84, 3.0/10343=74...(18) H LEU 70 - QE MET 74 far 0 99 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 9588 from cnoeabs.peaks (7.86, 2.00, 17.28 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.80: H TYR 41 + QE MET 74 OK 63 63 100 99 4.8-5.6 4.6/9587=67...(14) H LYS 73 + QE MET 74 OK 46 93 50 99 5.6-6.8 7213/3366=75...(9) 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 = 1.00: H GLU 44 + QE MET 74 OK 100 100 100 100 4.7-5.3 6697/12303=82...(13) H LYS 40 + QE MET 74 OK 74 75 100 98 4.4-5.2 3.6/9609=74, 4.6/3373=50...(13) H GLU 48 - QE MET 74 far 0 97 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 9594 from cnoeabs.peaks (1.42, 2.06, 33.37 ppm; 5.75 A): 3 out of 4 assignments used, quality = 1.00: QB ALA 71 + HB2 MET 74 OK 99 99 100 100 4.6-6.6 ~9551=65, ~9552=61...(11) HG13 ILE 76 + HB2 MET 74 OK 95 95 100 100 2.0-4.4 1.8/9664=82...(23) HG3 LYS 39 + HB2 MET 74 OK 41 90 50 92 5.3-8.0 12073/4.2=71, ~10571=38...(6) HB2 LEU 38 - HB2 MET 74 far 0 65 0 - 8.6-11.6 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 2.1-4.0 7256/9645=87, 9664=82...(24) Violated in 0 structures by 0.00 A. Peak 9596 from cnoeabs.peaks (0.81, 2.06, 33.37 ppm; 5.46 A): 1 out of 5 assignments used, quality = 0.99: QD1 ILE 76 + HB2 MET 74 OK 99 99 100 100 1.9-2.6 2.1/9664=78...(22) QD2 LEU 70 - HB2 MET 74 poor 17 100 25 67 6.0-7.6 9592/7226=32...(5) QD1 LEU 70 - HB2 MET 74 far 10 100 10 - 5.4-8.3 QG2 ILE 52 - HB2 MET 74 far 0 73 0 - 7.0-8.8 QD2 LEU 38 - HB2 MET 74 far 0 98 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 9597 from cnoeabs.peaks (1.32, 2.62, 33.04 ppm; 5.30 A): 4 out of 10 assignments used, quality = 1.00: HB3 LEU 42 + HG3 MET 74 OK 91 91 100 100 1.9-6.0 ~9615=59, 8919=52...(21) HG2 LYS 39 + HG3 MET 74 OK 90 91 100 99 2.6-5.6 12072/3.4=71, ~12073=63...(16) QB ALA 67 + HB VAL 58 OK 57 61 100 92 4.4-5.2 9384/2.1=61, 9378/2.1=41...(11) HB2 LYS 82 + HB VAL 58 OK 56 56 100 100 4.2-6.0 ~9759=74, ~10228=66...(18) HG12 ILE 8 - HB VAL 58 poor 19 32 60 - 5.3-6.7 QB ALA 89 - HB VAL 58 far 0 60 0 - 7.7-9.4 QB ALA 67 - HG3 MET 74 far 0 98 0 - 8.0-10.8 HG3 LYS 68 - HB VAL 58 far 0 50 0 - 8.2-11.1 HG LEU 14 - HB VAL 58 far 0 49 0 - 9.5-10.9 HG3 LYS 40 - HG3 MET 74 far 0 68 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 9598 from cnoeabs.peaks (0.78, 2.62, 33.04 ppm; 4.31 A): 4 out of 18 assignments used, quality = 0.99: QD1 ILE 76 + HG3 MET 74 OK 92 92 100 100 2.7-4.3 10879=44, 9604/3.4=40...(28) QG2 ILE 8 + HB VAL 58 OK 65 65 100 100 3.4-4.5 8302/3.0=57, ~10224=57...(28) QD2 LEU 42 + HG3 MET 74 OK 53 97 55 100 2.3-6.6 ~9615=49, 8924/9552=40...(17) QD2 LEU 70 + HG3 MET 74 OK 44 82 70 76 4.0-6.8 9614/1.8=23, ~10276=18...(13) QG1 VAL 78 - HG3 MET 74 poor 14 68 20 - 4.6-9.1 QD1 LEU 70 - HG3 MET 74 far 7 68 10 - 4.0-7.6 QD1 LEU 64 - HB VAL 58 far 0 32 0 - 5.3-5.9 QD1 LEU 6 - HG3 MET 74 far 0 99 0 - 6.7-10.6 QD2 LEU 57 - HB VAL 58 far 0 60 0 - 6.9-7.6 QG2 ILE 7 - HB VAL 58 far 0 57 0 - 7.2-8.1 QG1 VAL 54 - HG3 MET 74 far 0 93 0 - 7.2-11.4 QG2 ILE 52 - HG3 MET 74 far 0 100 0 - 7.5-10.8 QD1 ILE 15 - HB VAL 58 far 0 54 0 - 8.1-9.5 QD1 LEU 70 - HB VAL 58 far 0 37 0 - 8.1-11.6 QD1 LEU 6 - HB VAL 58 far 0 63 0 - 8.8-10.1 HG13 ILE 15 - HB VAL 58 far 0 49 0 - 9.3-10.8 QG1 VAL 78 - HB VAL 58 far 0 37 0 - 9.6-12.1 QD2 LEU 70 - HB VAL 58 far 0 47 0 - 9.9-11.5 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 13 assignments used, quality = 0.95: QD1 LEU 42 + HG3 MET 74 OK 79 95 85 98 1.9-5.7 9605/3.4=55, 9615/1.8=42...(22) 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 3.2-4.5 2670/2.1=36, ~10224=32...(28) QD2 LEU 14 - HB VAL 58 far 0 35 0 - 6.2-7.4 QD1 ILE 56 - HG3 MET 74 far 0 65 0 - 6.2-10.4 QG2 VAL 54 - HG3 MET 74 far 0 95 0 - 6.3-10.8 QD1 ILE 56 - HB VAL 58 far 0 36 0 - 7.0-8.0 QD1 LEU 14 - HB VAL 58 far 0 65 0 - 7.2-8.4 QD1 ILE 52 - HG3 MET 74 far 0 88 0 - 8.3-11.5 QD2 LEU 6 - HB VAL 58 far 0 60 0 - 8.7-10.6 QD2 LEU 6 - HG3 MET 74 far 0 96 0 - 8.8-12.4 QD1 ILE 8 - HG3 MET 74 far 0 61 0 - 9.2-12.7 QD1 LEU 42 - HB VAL 58 far 0 58 0 - 9.8-11.1 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 14 assignments used, quality = 0.98: HD3 LYS 39 + QE MET 74 OK 83 85 100 97 2.4-4.6 3.0/12073=55...(17) HD2 LYS 39 + QE MET 74 OK 81 98 85 97 2.6-4.9 3.0/12073=55...(17) HB ILE 76 + QE MET 74 OK 43 90 50 97 4.0-6.1 3.0/9606=44, 3.2/9604=38...(20) HD2 LYS 73 - QE MET 74 far 5 100 5 - 4.5-8.8 HD3 LYS 73 - QE MET 74 far 0 100 0 - 5.1-9.2 HG LEU 70 - QE MET 74 far 0 73 0 - 5.8-7.2 HB2 LYS 40 - QE MET 74 far 0 92 0 - 5.8-6.7 HB3 LYS 40 - QE MET 74 far 0 95 0 - 5.9-7.0 HD3 LYS 47 - QE MET 74 far 0 96 0 - 8.0-10.4 HD2 LYS 47 - QE MET 74 far 0 97 0 - 8.1-10.8 HB3 LEU 6 - QE MET 74 far 0 94 0 - 8.3-9.9 HB ILE 52 - QE MET 74 far 0 100 0 - 9.2-11.7 HD3 LYS 66 - QE MET 74 far 0 68 0 - 9.6-12.4 HG2 LYS 68 - QE MET 74 far 0 87 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 9601 from cnoeabs.peaks (1.79, 2.00, 17.28 ppm; 3.37 A): 4 out of 7 assignments used, quality = 0.98: HB2 LEU 42 + QE MET 74 OK 91 92 100 99 1.9-2.2 3.1/9605=45...(31) HB2 LYS 39 + QE MET 74 OK 61 99 65 95 3.7-4.7 3.0/9609=44...(17) HG3 ARG 46 + QE MET 74 OK 38 100 45 85 2.7-6.5 3.0/9608=39, 3.0/9607=31...(13) HG2 ARG 46 + QE MET 74 OK 21 61 45 75 3.0-7.1 3.0/9608=39, 3.0/9607=31...(9) HB VAL 78 - QE MET 74 far 0 100 0 - 6.9-8.4 HB2 LYS 66 - QE MET 74 far 0 91 0 - 8.2-9.7 HB ILE 56 - QE MET 74 far 0 87 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9602 from cnoeabs.peaks (1.44, 2.00, 17.28 ppm; 3.50 A): 2 out of 8 assignments used, quality = 0.97: HG3 LYS 39 + QE MET 74 OK 94 100 95 99 2.3-4.7 12073=72, 1.8/12072=43...(23) HG13 ILE 76 + QE MET 74 OK 43 100 45 96 3.6-5.8 2.1/9604=44, 1.8/9606=43...(20) QB ALA 71 - QE MET 74 far 8 82 10 - 4.2-6.3 HB2 LEU 38 - QE MET 74 far 0 94 0 - 5.7-7.3 HG LEU 38 - QE MET 74 far 0 90 0 - 5.7-8.0 HD2 LYS 40 - QE MET 74 far 0 82 0 - 7.3-8.8 HD3 LYS 40 - QE MET 74 far 0 81 0 - 7.6-8.7 HG13 ILE 52 - QE MET 74 far 0 92 0 - 8.4-11.1 Violated in 6 structures by 0.06 A. Peak 9603 from cnoeabs.peaks (1.32, 2.00, 17.28 ppm; 3.34 A): 2 out of 6 assignments used, quality = 0.99: HG2 LYS 39 + QE MET 74 OK 90 92 100 98 1.9-3.8 1.8/12073=55...(20) HB3 LEU 42 + QE MET 74 OK 89 90 100 99 1.9-2.4 3.1/9605=44...(29) HG3 LYS 40 - QE MET 74 far 0 70 0 - 6.2-7.1 QB ALA 67 - QE MET 74 far 0 98 0 - 7.1-8.1 HG3 LYS 68 - QE MET 74 far 0 87 0 - 9.7-12.2 HG2 ARG 30 - QE MET 74 far 0 75 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.80, 2.00, 17.28 ppm; 2.98 A): 2 out of 11 assignments used, quality = 0.99: QD1 ILE 76 + QE MET 74 OK 94 100 100 94 1.7-3.8 2.1/9606=27...(27) QD2 LEU 42 + QE MET 74 OK 75 79 100 96 3.2-3.9 2.1/9605=44...(26) QD2 LEU 70 - QE MET 74 far 5 98 5 - 3.6-5.8 QD1 LEU 70 - QE MET 74 far 5 92 5 - 3.7-5.6 QD1 LEU 6 - QE MET 74 far 0 85 0 - 5.2-6.6 QD2 LEU 38 - QE MET 74 far 0 82 0 - 6.0-6.8 QG1 VAL 54 - QE MET 74 far 0 70 0 - 6.3-7.5 QG2 ILE 52 - QE MET 74 far 0 95 0 - 6.5-8.6 QG2 VAL 32 - QE MET 74 far 0 65 0 - 6.8-7.9 QD2 LEU 2 - QE MET 74 far 0 98 0 - 9.6-11.4 QG2 ILE 8 - QE MET 74 far 0 99 0 - 9.6-10.9 Violated in 2 structures by 0.02 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 1.9-2.7 2.1/10340=52, 10342=45...(35) QG2 VAL 54 - QE MET 74 far 0 88 0 - 5.7-7.2 QD1 ILE 56 - QE MET 74 far 0 77 0 - 5.7-7.2 QD2 LEU 6 - QE MET 74 far 0 99 0 - 6.9-7.8 QD1 ILE 52 - QE MET 74 far 0 95 0 - 7.0-8.1 QD1 ILE 8 - QE MET 74 far 0 73 0 - 7.8-8.9 HG13 ILE 56 - QE MET 74 far 0 63 0 - 7.8-9.5 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 = 0.94: HG12 ILE 76 + QE MET 74 OK 94 99 95 100 3.5-6.3 9667/9605=60...(22) Violated in 6 structures by 0.12 A. Peak 9607 from cnoeabs.peaks (3.17, 2.00, 17.28 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.85: HD3 ARG 46 + QE MET 74 OK 85 85 100 99 2.8-5.3 1.8/9608=90...(11) Violated in 2 structures by 0.03 A. Peak 9608 from cnoeabs.peaks (3.33, 2.00, 17.28 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.85: HD2 ARG 46 + QE MET 74 OK 85 99 90 95 3.1-6.0 1.8/9607=63...(14) Violated in 6 structures by 0.24 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 1.9-2.7 8951=69, 3.9/12073=46...(22) Violated in 0 structures by 0.00 A. Peak 9610 from cnoeabs.peaks (3.87, 2.00, 17.28 ppm; 3.34 A): 2 out of 7 assignments used, quality = 0.97: HA GLU 43 + QE MET 74 OK 95 99 100 96 2.6-3.6 2.9/12303=50...(17) HA ALA 71 + QE MET 74 OK 29 79 40 91 3.1-5.5 12173=25, 10858/3366=25...(20) HA LYS 40 - QE MET 74 far 0 99 0 - 4.2-5.3 HA LEU 38 - QE MET 74 far 0 100 0 - 5.9-6.6 HA ALA 67 - QE MET 74 far 0 91 0 - 6.8-8.0 HA GLU 35 - QE MET 74 far 0 98 0 - 7.2-9.0 HB3 SER 49 - QE MET 74 far 0 94 0 - 7.6-10.1 Violated in 3 structures by 0.02 A. Peak 9611 from cnoeabs.peaks (3.85, 2.62, 33.04 ppm; 5.00 A): 2 out of 9 assignments used, quality = 0.96: HA ALA 71 + HG3 MET 74 OK 95 100 95 100 2.9-6.2 9552=100, 9551/1.8=88...(18) HA GLU 43 + HG3 MET 74 OK 23 71 35 93 5.3-7.0 9610/3.4=48, ~12303=43...(10) HA ALA 67 - HB VAL 58 far 0 66 0 - 7.4-8.3 HA LYS 40 - HG3 MET 74 far 0 96 0 - 7.4-9.5 HA LEU 38 - HG3 MET 74 far 0 87 0 - 7.6-11.4 HA ALA 67 - HG3 MET 74 far 0 100 0 - 7.6-10.7 HA GLU 35 - HB VAL 58 far 0 35 0 - 8.2-10.6 HA GLU 35 - HG3 MET 74 far 0 63 0 - 8.7-12.3 HB3 SER 49 - HG3 MET 74 far 0 100 0 - 9.8-12.7 Violated in 4 structures by 0.09 A. Peak 9612 from cnoeabs.peaks (4.16, 2.53, 33.04 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 73 + HG2 MET 74 OK 99 99 100 100 4.9-6.0 3.6/7228=91...(11) HA GLN 72 + HG2 MET 74 OK 63 99 70 91 5.6-6.9 10848/7228=54...(6) Violated in 1 structures by 0.00 A. Peak 9613 from cnoeabs.peaks (3.84, 2.53, 33.04 ppm; 5.09 A): 1 out of 5 assignments used, quality = 0.99: HA ALA 71 + HG2 MET 74 OK 99 99 100 100 3.2-4.8 9551=97, 9552/1.8=83...(13) HA LYS 40 - HG2 MET 74 far 0 82 0 - 7.6-9.5 HA ALA 67 - HG2 MET 74 far 0 96 0 - 7.9-9.0 HA LEU 38 - HG2 MET 74 far 0 65 0 - 8.2-10.3 HA LYS 68 - HG2 MET 74 far 0 73 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 9614 from cnoeabs.peaks (0.80, 2.53, 33.04 ppm; 4.53 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 76 + HG2 MET 74 OK 100 100 100 100 3.7-4.6 10879/1.8=55, 10880=51...(25) QD2 LEU 70 + HG2 MET 74 OK 79 98 95 84 3.8-5.6 9592/7228=22...(15) QD2 LEU 42 + HG2 MET 74 OK 43 79 55 100 3.3-5.9 2.1/9615=75, ~9605=43...(22) QD1 LEU 70 - HG2 MET 74 far 9 92 10 - 3.8-6.4 QD2 LEU 38 - HG2 MET 74 far 0 82 0 - 7.4-9.4 QD1 LEU 6 - HG2 MET 74 far 0 85 0 - 7.8-9.4 QG1 VAL 54 - HG2 MET 74 far 0 70 0 - 8.3-10.4 QG2 ILE 52 - HG2 MET 74 far 0 95 0 - 8.5-10.9 QG2 VAL 32 - HG2 MET 74 far 0 65 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9615 from cnoeabs.peaks (0.69, 2.53, 33.04 ppm; 4.52 A): 1 out of 7 assignments used, quality = 0.99: QD1 LEU 42 + HG2 MET 74 OK 99 100 100 100 2.8-4.4 9605/3.4=63, ~10340=38...(25) QG2 VAL 78 - HG2 MET 74 far 0 84 0 - 5.6-8.9 QD1 ILE 56 - HG2 MET 74 far 0 98 0 - 6.7-9.0 QD1 ILE 52 - HG2 MET 74 far 0 100 0 - 9.5-11.6 HG13 ILE 56 - HG2 MET 74 far 0 93 0 - 9.6-12.0 QD1 ILE 8 - HG2 MET 74 far 0 97 0 - 9.9-11.2 QD2 LEU 6 - HG2 MET 74 far 0 99 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 9616 from cnoeabs.peaks (1.41, 4.00, 56.72 ppm; 5.77 A): 2 out of 4 assignments used, quality = 0.98: QB ALA 71 + HA GLU 75 OK 90 100 100 90 5.5-6.4 5.0/10833=69...(5) HG13 ILE 76 + HA GLU 75 OK 77 79 100 97 4.6-6.0 4.5/7248=87, 3.8/9624=34...(7) HB2 LEU 70 - HA GLU 75 far 0 59 0 - 9.3-10.2 HG3 LYS 39 - HA GLU 75 far 0 70 0 - 9.9-13.0 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 = 1.00: HA GLN 72 + HA GLU 75 OK 99 100 100 100 3.3-4.3 10833=96, 9650/7248=56...(10) HA LYS 73 + HA GLU 75 OK 37 88 50 84 5.1-5.6 3.6/9625=49, ~10855=30...(7) 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 5 assignments used, quality = 0.99: HA GLN 72 + HG2 GLU 75 OK 75 94 90 88 4.8-6.4 10833/4.0=71...(4) HA LYS 73 + HG3 GLU 75 OK 70 100 100 70 4.4-5.7 3.6/10864=34...(4) HA LYS 73 + HG2 GLU 75 OK 62 100 95 66 4.0-6.6 9618/5.0=29...(4) HA GLN 72 + HG3 GLU 75 OK 49 94 60 88 4.9-7.1 10833/4.0=71...(4) HA LYS 47 - HG2 GLU 43 far 0 31 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 9622 from cnoeabs.peaks (4.40, 2.17, 36.71 ppm; 5.58 A): 3 out of 8 assignments used, quality = 1.00: HA MET 74 + HG3 GLU 75 OK 97 100 100 97 3.3-5.6 3.0/10864=38...(12) HA MET 74 + HG2 GLU 75 OK 97 100 100 97 4.0-6.5 3.6/3402=37, 9624/4.0=36...(11) HA ILE 76 + HG3 GLU 75 OK 44 82 55 98 6.3-6.7 ~7249=40, ~3401=39...(11) HA ILE 76 - HG2 GLU 75 far 12 82 15 - 5.7-6.8 HA MET 74 - HG2 GLU 43 far 0 46 0 - 6.6-8.6 HA ILE 76 - HG2 GLU 43 far 0 32 0 - 8.6-11.4 HA VAL 32 - HG3 GLU 35 far 0 47 0 - 9.3-10.8 HA VAL 32 - HG2 GLU 35 far 0 47 0 - 9.4-11.1 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 3 assignments used, quality = 0.99: HA MET 74 + HB2 GLU 75 OK 98 99 100 99 3.9-5.8 ~9625=59, 9624/2.9=46...(9) HA ILE 76 + HB2 GLU 75 OK 71 71 100 100 4.8-5.4 ~7248=75, ~3380=73...(11) HA GLN 50 - HB2 GLU 75 far 0 100 0 - 8.9-13.1 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 2 assignments used, quality = 1.00: HA MET 74 + HA GLU 75 OK 99 100 100 99 5.1-5.2 3.0/9625=71, ~7231=50...(11) HA ILE 76 + HA GLU 75 OK 87 87 100 100 4.4-4.7 3.0/7248=95, ~7247=51...(11) Violated in 0 structures by 0.00 A. Peak 9625 from cnoeabs.peaks (7.75, 4.00, 56.72 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: H MET 74 + HA GLU 75 OK 100 100 100 100 4.4-4.8 7231/2.9=89...(13) H VAL 78 - HA GLU 75 far 0 100 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 9626 from cnoeabs.peaks (7.75, 0.88, 17.57 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: H VAL 78 + QG2 ILE 76 OK 100 100 100 100 4.0-4.8 10898=95, 7274/9676=76...(15) H SER 49 + QG2 ILE 76 OK 64 87 75 98 4.2-6.1 3.9/9065=65, 3.9/9071=56...(11) H MET 74 - QG2 ILE 76 far 0 100 0 - 5.9-6.4 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 4 assignments used, quality = 0.97: H ARG 46 + QG2 ILE 76 OK 91 91 100 100 3.4-4.9 3.0/9025=89, 10614=87...(22) H GLU 75 + QG2 ILE 76 OK 70 73 100 95 5.9-6.0 4.6/7255=77, 4.3/9654=42...(9) H LYS 39 - QG2 ILE 76 far 0 59 0 - 8.7-10.1 H SER 102 - QG2 ILE 76 far 0 96 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 9628 from cnoeabs.peaks (8.50, 0.88, 17.57 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.98: H VAL 54 + QG2 ILE 76 OK 97 98 100 100 4.2-5.4 6897/11070=80...(13) H LYS 53 + QG2 ILE 76 OK 26 65 45 88 5.4-6.5 3.0/9636=61...(8) H ARG 79 - QG2 ILE 76 far 0 100 0 - 6.0-6.8 H ASN 51 - QG2 ILE 76 far 0 75 0 - 6.2-8.3 H LEU 2 - QG2 ILE 76 far 0 100 0 - 8.4-10.9 Violated in 2 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 2.4-3.9 3.0/9639=70...(23) 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 82 95 90 96 5.6-7.0 7472/7459=78...(5) H GLU 95 + HG2 ARG 91 OK 63 94 90 75 4.5-7.6 7542/10040=40...(6) Violated in 3 structures by 0.04 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 2.8-4.1 9222/11070=83...(15) Violated in 0 structures by 0.00 A. Peak 9635 from cnoeabs.peaks (5.18, 0.88, 17.57 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.98: HA VAL 78 + QG2 ILE 76 OK 98 98 100 100 4.3-4.9 3.2/10906=84...(19) HA VAL 54 - QG2 ILE 76 far 0 91 0 - 5.9-6.7 HA TYR 4 - QG2 ILE 76 far 0 63 0 - 8.3-9.2 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 = 0.99: HA LYS 53 + QG2 ILE 76 OK 99 99 100 100 4.4-5.3 9200/11070=80...(10) 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 3.8-4.3 3.0/7264=90, 9676=85...(27) HA PHE 45 + QG2 ILE 76 OK 82 82 100 100 4.0-5.5 3.6/10614=65...(14) 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 2.6-4.2 9025=84, 3.0/10614=51...(24) HB2 SER 49 + QG2 ILE 76 OK 70 100 70 100 2.6-7.1 9065=95, 1.8/9071=62...(14) HA LEU 70 - QG2 ILE 76 far 0 73 0 - 7.9-9.4 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 2.3-4.2 9025/3.2=52, 3.0/9630=52...(22) HB2 SER 49 - QD1 ILE 76 far 9 95 10 - 3.9-8.2 Violated in 6 structures by 0.05 A. Peak 9640 from cnoeabs.peaks (4.04, 1.09, 26.75 ppm; 5.78 A): 4 out of 6 assignments used, quality = 0.94: HA ARG 46 + HG12 ILE 76 OK 69 70 100 100 3.4-5.7 ~9630=68, 4.1/10176=67...(19) HA GLU 75 + HG12 ILE 76 OK 59 59 100 100 4.3-6.0 3.5/7256=95, ~9888=65...(11) HB2 SER 49 + HG12 ILE 76 OK 38 94 40 100 4.1-9.6 9065/3.2=82, 9064/1.8=80...(11) HA GLU 95 + HG2 ARG 91 OK 27 88 45 67 6.0-9.6 4.1/10040=37...(6) HA LEU 70 - HG12 ILE 76 far 0 92 0 - 7.1-9.8 HA GLU 17 - HG2 ARG 91 far 0 92 0 - 8.7-14.7 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 2.8-4.4 2.5/9669=54...(14) Violated in 0 structures by 0.00 A. Peak 9646 from cnoeabs.peaks (0.70, 1.64, 40.34 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.87: QD1 LEU 42 + HB ILE 76 OK 73 99 75 99 3.8-5.1 9667/3.0=53, ~12083=35...(25) QG2 VAL 78 + HB ILE 76 OK 53 90 60 99 2.5-5.6 ~10906=55, 2.1/10289=39...(19) QD1 ILE 52 - HB ILE 76 far 0 100 0 - 5.6-7.6 QD1 ILE 56 - HB ILE 76 far 0 99 0 - 5.8-7.0 HG13 ILE 56 - HB ILE 76 far 0 96 0 - 8.0-9.2 QD2 LEU 6 - HB ILE 76 far 0 98 0 - 8.9-10.0 Violated in 8 structures by 0.10 A. Peak 9648 from cnoeabs.peaks (3.83, 1.64, 40.34 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.96: HA ALA 71 + HB ILE 76 OK 96 96 100 100 2.6-4.5 2.1/10834=90, 10836=65...(21) HB3 SER 49 - HB ILE 76 far 0 82 0 - 6.6-9.0 HA LYS 68 - HB ILE 76 far 0 87 0 - 7.4-9.6 HA ALA 67 - HB ILE 76 far 0 87 0 - 8.6-10.4 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 7 assignments used, quality = 0.95: HA ALA 71 + QG2 ILE 76 OK 80 100 80 100 3.8-5.7 10836/2.1=56, ~10834=52...(18) HB3 SER 49 + QG2 ILE 76 OK 70 100 70 100 3.9-5.8 1.8/9065=77, 9071=74...(19) HA GLU 43 + QG2 ILE 76 OK 22 73 35 87 4.6-6.4 9668/3452=29...(13) HA LEU 38 - QG2 ILE 76 far 0 88 0 - 7.9-9.6 HA ALA 67 - QG2 ILE 76 far 0 100 0 - 8.3-10.4 HA LYS 40 - QG2 ILE 76 far 0 97 0 - 8.5-9.9 HA2 GLY 101 - QG2 ILE 76 far 0 96 0 - 9.2-15.2 Violated in 4 structures by 0.01 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: HB2 ASP 77 + QG2 ILE 76 OK 98 98 100 100 3.4-4.9 7269/7264=81...(16) HD3 ARG 46 + QG2 ILE 76 OK 95 100 95 100 4.3-6.1 9020/3452=80...(26) 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 2.3-3.4 2.5/9632=69...(21) HB3 PHE 45 + QG2 ILE 76 OK 79 79 100 100 2.0-4.3 2.5/9632=69...(19) HE3 LYS 47 - QG2 ILE 76 far 0 90 0 - 7.2-11.0 HE2 LYS 47 - QG2 ILE 76 far 0 90 0 - 7.7-10.4 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 8 assignments used, quality = 0.84: HB3 MET 74 + QG2 ILE 76 OK 69 73 95 99 4.3-5.1 9659/2.1=48...(27) HB3 ARG 46 + QG2 ILE 76 OK 31 79 40 100 3.5-5.8 3.0/9025=60...(31) HG LEU 42 + QG2 ILE 76 OK 24 70 35 99 4.7-6.1 3.0/10883=51, ~12083=36...(23) HB2 GLU 43 - QG2 ILE 76 far 0 87 0 - 6.7-8.4 HB3 LYS 47 - QG2 ILE 76 far 0 100 0 - 6.8-8.5 HB2 LYS 47 - QG2 ILE 76 far 0 61 0 - 8.0-9.3 HB2 LYS 73 - QG2 ILE 76 far 0 82 0 - 8.2-9.5 HB3 LYS 73 - QG2 ILE 76 far 0 84 0 - 8.8-9.8 Violated in 3 structures by 0.01 A. Peak 9655 from cnoeabs.peaks (1.78, 0.88, 17.57 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.99: HB VAL 78 + QG2 ILE 76 OK 90 100 90 100 3.7-5.3 2.1/10906=86, 10287=76...(20) HG3 ARG 46 + QG2 ILE 76 OK 89 99 90 100 2.6-5.9 9021/3.2=62...(32) HB2 LEU 42 + QG2 ILE 76 OK 39 79 50 100 4.7-6.3 1.8/10883=69, ~10286=39...(29) HB ILE 56 - QG2 ILE 76 far 0 96 0 - 8.5-10.1 HB2 LYS 39 - QG2 ILE 76 far 0 92 0 - 8.9-10.4 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 = 0.98: HB2 ASP 77 + HB ILE 76 OK 95 100 95 100 5.5-6.8 7269/7263=90...(13) HD3 ARG 46 + HB ILE 76 OK 64 98 65 100 4.7-7.4 9020/3.2=88, 1.8/9015=81...(24) Violated in 1 structures by 0.00 A. Peak 9659 from cnoeabs.peaks (1.95, 1.64, 40.34 ppm; 4.91 A): 1 out of 6 assignments used, quality = 0.96: HB3 MET 74 + HB ILE 76 OK 96 96 100 100 3.0-4.7 9644/7254=64...(29) HB3 ARG 46 - HB ILE 76 far 15 98 15 - 5.0-7.9 HB2 ARG 46 - HB ILE 76 far 4 82 5 - 4.3-8.1 HB2 LYS 73 - HB ILE 76 far 0 99 0 - 7.5-9.1 HB3 LYS 73 - HB ILE 76 far 0 99 0 - 8.2-9.5 QE MET 1 - HB ILE 76 far 0 79 0 - 9.8-12.2 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 = 0.99: HB VAL 78 + HB ILE 76 OK 90 100 90 100 4.4-6.1 10287/2.1=81, ~10906=81...(13) HG3 ARG 46 + HB ILE 76 OK 84 99 85 100 4.5-7.8 9021/3.2=78...(29) HB2 LEU 42 + HB ILE 76 OK 63 79 80 100 5.3-6.4 1.8/10884=70, ~10883=63...(25) HB2 LYS 39 - HB ILE 76 far 0 92 0 - 9.4-11.0 HB ILE 56 - HB ILE 76 far 0 96 0 - 9.5-10.7 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 5.2-6.5 9025/2.1=74, ~10614=68...(18) HB2 SER 49 + HB ILE 76 OK 34 98 35 100 5.3-10.4 9065/2.1=97, ~9071=84...(11) HA LEU 70 - HB ILE 76 far 0 84 0 - 7.2-8.8 Violated in 2 structures by 0.01 A. Peak 9663 from cnoeabs.peaks (2.18, 1.09, 26.75 ppm; 5.21 A): 5 out of 10 assignments used, quality = 1.00: HB3 GLU 75 + HG12 ILE 76 OK 97 100 100 98 4.0-5.0 9888/1.8=82, 4.1/7256=79...(5) HG3 GLU 75 + HG12 ILE 76 OK 61 99 75 82 5.1-7.3 ~9888=53, 3408/7256=32...(6) HG2 GLU 75 + HG12 ILE 76 OK 37 99 45 82 5.4-7.3 ~9888=53, 3401/7256=43...(5) HB2 GLU 95 + HG2 ARG 91 OK 26 82 50 63 4.1-9.4 2.9/10040=37...(6) HB3 GLU 95 + HG2 ARG 91 OK 23 80 45 63 4.5-9.1 2.9/10040=37...(6) HG2 GLU 43 - HG12 ILE 76 far 0 100 0 - 6.2-9.0 HB2 GLN 72 - HG12 ILE 76 far 0 93 0 - 7.6-10.3 HG3 PRO 86 - HG2 ARG 91 far 0 92 0 - 8.2-13.7 HG2 GLU 99 - HG2 ARG 91 far 0 53 0 - 8.8-13.5 HG2 GLU 98 - HG2 ARG 91 far 0 65 0 - 9.2-13.8 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 11 assignments used, quality = 0.98: HB2 MET 74 + HG12 ILE 76 OK 98 98 100 100 2.1-4.0 9645/7256=53...(24) HB3 LYS 94 - HG2 ARG 91 poor 17 75 60 38 3.4-8.4 4196/4.0=22, 4.6/9631=14...(5) HB3 GLU 88 - HG2 ARG 91 far 7 73 10 - 4.0-7.8 HB2 MET 21 - HG2 ARG 91 far 0 96 0 - 7.0-11.0 HB3 GLU 43 - HG12 ILE 76 far 0 96 0 - 7.8-9.1 HG12 ILE 93 - HG2 ARG 91 far 0 92 0 - 7.9-10.4 HB2 GLU 98 - HG2 ARG 91 far 0 95 0 - 8.0-12.3 HB3 GLU 48 - HG12 ILE 76 far 0 100 0 - 8.7-11.6 HB3 GLU 98 - HG2 ARG 91 far 0 95 0 - 9.2-13.3 HB3 LEU 38 - HG12 ILE 76 far 0 88 0 - 9.4-13.0 HB2 GLU 99 - HG2 ARG 91 far 0 95 0 - 9.5-15.9 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 13 assignments used, quality = 1.00: HB3 MET 74 + HG12 ILE 76 OK 100 100 100 100 2.0-4.1 1.8/9664=60...(25) HB3 ARG 46 + HG12 ILE 76 OK 40 100 40 100 3.5-6.5 3.0/10176=41, ~9639=38...(26) HB2 ARG 46 + HG12 ILE 76 OK 24 96 25 100 3.5-6.6 3.0/10176=41, ~9639=38...(26) HB2 LYS 94 - HG2 ARG 91 poor 11 57 20 - 3.9-7.5 HG3 GLU 88 - HG2 ARG 91 far 0 89 0 - 5.3-9.1 HB2 GLU 17 - HG2 ARG 91 far 0 87 0 - 6.8-13.0 HB2 LYS 73 - HG12 ILE 76 far 0 100 0 - 6.8-10.0 HB3 LYS 73 - HG12 ILE 76 far 0 100 0 - 7.2-10.0 HB3 LYS 47 - HG12 ILE 76 far 0 68 0 - 9.0-11.2 HB3 LYS 20 - HG2 ARG 91 far 0 78 0 - 9.4-16.3 HB3 LYS 24 - HG2 ARG 91 far 0 96 0 - 9.5-14.1 HB2 LYS 24 - HG2 ARG 91 far 0 96 0 - 9.6-14.0 HB2 LYS 47 - HG12 ILE 76 far 0 99 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 9666 from cnoeabs.peaks (1.80, 1.09, 26.75 ppm; 4.78 A): 2 out of 10 assignments used, quality = 0.98: HG2 ARG 46 + HG12 ILE 76 OK 88 88 100 100 2.9-5.4 9023/2.1=71...(27) HG3 ARG 46 + HG12 ILE 76 OK 87 96 90 100 2.0-6.0 9021/2.1=82...(30) HB2 LYS 90 - HG2 ARG 91 poor 19 94 25 82 3.6-8.1 4.1/7444=57...(7) HB3 LYS 90 - HG2 ARG 91 poor 17 66 25 - 4.4-7.6 HB2 LEU 42 - HG12 ILE 76 far 15 100 15 - 5.5-7.0 HB2 GLU 88 - HG2 ARG 91 far 5 95 5 - 4.6-8.8 HB ILE 93 - HG2 ARG 91 far 0 96 0 - 6.8-8.5 HB VAL 78 - HG12 ILE 76 far 0 90 0 - 6.9-8.6 HB2 LYS 39 - HG12 ILE 76 far 0 100 0 - 9.4-11.9 HB3 LEU 57 - HG2 ARG 91 far 0 82 0 - 9.9-13.4 Violated in 1 structures by 0.01 A. Peak 9667 from cnoeabs.peaks (0.69, 1.09, 26.75 ppm; 4.15 A): 1 out of 10 assignments used, quality = 0.30: QD1 LEU 42 + HG12 ILE 76 OK 30 100 30 100 4.5-6.4 ~12083=54, 9605/9606=44...(25) QG2 VAL 78 - HG12 ILE 76 poor 17 70 25 - 4.5-7.5 QD1 ILE 52 - HG12 ILE 76 far 0 100 0 - 5.6-8.4 QG2 VAL 54 - HG12 ILE 76 far 0 71 0 - 6.1-7.4 QD1 ILE 56 - HG12 ILE 76 far 0 92 0 - 7.4-9.0 QD2 LEU 14 - HG2 ARG 91 far 0 84 0 - 7.7-12.3 QD1 LEU 14 - HG2 ARG 91 far 0 94 0 - 8.3-12.2 QG1 VAL 5 - HG2 ARG 91 far 0 53 0 - 8.9-11.1 QD1 LEU 29 - HG2 ARG 91 far 0 63 0 - 9.3-11.9 HG13 ILE 56 - HG12 ILE 76 far 0 82 0 - 9.8-11.7 Violated in 20 structures by 1.16 A. Peak 9668 from cnoeabs.peaks (3.86, 0.80, 13.65 ppm; 4.29 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 71 + QD1 ILE 76 OK 97 97 100 100 2.8-4.7 10837/2.1=54...(20) HA GLU 43 + QD1 ILE 76 OK 87 88 100 99 2.4-3.8 10171/9020=42...(21) HB3 SER 49 - QD1 ILE 76 far 15 100 15 - 4.9-7.2 HA LYS 40 - QD1 ILE 76 far 0 100 0 - 6.6-7.6 HA LEU 38 - QD1 ILE 76 far 0 97 0 - 7.1-8.4 HA ALA 67 - QD1 ILE 76 far 0 100 0 - 7.6-9.3 HA GLU 35 - QD1 ILE 76 far 0 82 0 - 9.2-10.9 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 = 0.96: HB2 PHE 45 + QD1 ILE 76 OK 91 99 100 93 1.9-3.8 2.5/9642=47, 4.5/9630=34...(17) HB3 PHE 45 + QD1 ILE 76 OK 55 100 60 91 3.0-5.3 2.5/9642=47, 4.5/9630=34...(15) HE3 LYS 47 - QD1 ILE 76 far 0 100 0 - 6.5-10.6 HE3 LYS 73 - QD1 ILE 76 far 0 84 0 - 6.6-11.0 HE2 LYS 73 - QD1 ILE 76 far 0 91 0 - 6.6-10.8 HE2 LYS 47 - QD1 ILE 76 far 0 100 0 - 7.1-10.3 Violated in 0 structures by 0.00 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: HB3 ARG 46 + QD1 ILE 76 OK 97 98 100 99 1.9-4.3 3.0/9639=44, 3.0/9021=39...(27) HB3 MET 74 + QD1 ILE 76 OK 97 99 100 98 2.0-2.8 9665/2.1=28, ~9664=26...(26) HB2 ARG 46 + QD1 ILE 76 OK 84 100 85 99 2.1-4.4 3.0/9639=44, 3.0/9021=39...(29) QE MET 74 + QD1 ILE 76 OK 75 77 100 97 1.7-3.8 9604=39, 10343/10878=28...(27) HB2 GLU 44 - QD1 ILE 76 far 0 79 0 - 5.9-7.3 HB2 LYS 73 - QD1 ILE 76 far 0 97 0 - 6.1-8.1 HB3 LYS 73 - QD1 ILE 76 far 0 96 0 - 6.6-8.2 HB3 GLU 44 - QD1 ILE 76 far 0 79 0 - 6.9-8.0 HB2 LYS 47 - QD1 ILE 76 far 0 100 0 - 7.4-8.9 QE MET 1 - QD1 ILE 76 far 0 100 0 - 9.1-11.3 HB2 GLU 35 - QD1 ILE 76 far 0 65 0 - 9.5-12.4 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 3 assignments used, quality = 0.99: HA ILE 76 + HB2 ASP 77 OK 99 99 100 100 4.4-5.7 10770/1.8=90...(10) HA GLN 50 - HB2 ASP 77 far 0 90 0 - 6.2-8.9 HA GLU 48 - HB2 ASP 77 far 0 99 0 - 8.6-12.6 Violated in 1 structures by 0.03 A. Peak 9673 from cnoeabs.peaks (5.02, 3.21, 40.23 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.84: HA LYS 53 + HB2 ASP 77 OK 84 91 95 98 3.2-5.6 9678/1.8=62...(11) Violated in 3 structures by 0.11 A. Peak 9674 from cnoeabs.peaks (1.44, 3.21, 40.23 ppm; 4.36 A): 3 out of 6 assignments used, quality = 0.90: HG2 LYS 53 + HB2 ASP 77 OK 81 88 95 97 3.7-5.6 3.9/9673=53...(12) HG3 LYS 53 + HB2 ASP 77 OK 35 81 45 97 3.2-7.2 3.9/9673=53...(12) HD2 LYS 53 + HB2 ASP 77 OK 21 93 25 92 5.0-7.1 3.6/10892=40...(11) HG13 ILE 52 - HB2 ASP 77 far 5 95 5 - 4.9-8.9 QB ALA 71 - HB2 ASP 77 far 0 77 0 - 6.2-7.4 HG13 ILE 76 - HB2 ASP 77 far 0 100 0 - 6.4-8.1 Violated in 3 structures by 0.03 A. Peak 9675 from cnoeabs.peaks (1.44, 4.57, 54.07 ppm; 5.10 A): 2 out of 6 assignments used, quality = 0.79: QB ALA 71 + HA ASP 77 OK 73 77 100 94 4.4-5.6 9683/7274=78...(5) HG3 LYS 53 + HA ASP 77 OK 23 81 30 94 5.4-8.8 ~10892=37, ~9674=34...(10) HD2 LYS 53 - HA ASP 77 far 14 93 15 - 5.6-9.2 HG2 LYS 53 - HA ASP 77 far 13 88 15 - 5.8-7.2 HG13 ILE 76 - HA ASP 77 far 0 100 0 - 6.6-6.8 HG13 ILE 52 - HA ASP 77 far 0 95 0 - 7.4-9.5 Violated in 6 structures by 0.08 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 3.8-4.3 7264/3.0=77...(27) QD1 LEU 103 - HA ASP 77 far 0 99 0 - 5.6-15.1 QD1 LEU 38 - HA ASP 77 far 0 97 0 - 8.6-11.6 QD1 LEU 2 - HA ASP 77 far 0 99 0 - 9.8-11.8 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 8 assignments used, quality = 0.99: QG1 VAL 78 + HA ASP 77 OK 95 100 95 100 3.2-5.5 4.0/7274=78, 2.1/8181=68...(13) QG2 VAL 78 + HA ASP 77 OK 84 84 100 100 3.5-5.4 4.0/7274=78, 8181=73...(11) QG2 ILE 52 + HA ASP 77 OK 33 75 85 52 4.5-6.1 12317/3.0=16, ~10897=12...(9) QD2 LEU 42 - HA ASP 77 far 0 93 0 - 5.7-6.6 QG1 VAL 54 - HA ASP 77 far 0 97 0 - 7.2-8.0 HG13 ILE 56 - HA ASP 77 far 0 71 0 - 8.4-10.9 QD1 LEU 6 - HA ASP 77 far 0 88 0 - 8.6-10.0 QD1 LEU 64 - HA ASP 77 far 0 100 0 - 9.6-11.6 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 = 0.83: HA LYS 53 + HB3 ASP 77 OK 83 100 85 98 3.2-5.8 9673/1.8=70...(11) Violated in 17 structures by 0.46 A. Peak 9679 from cnoeabs.peaks (8.47, 3.21, 40.23 ppm; 5.91 A): 2 out of 4 assignments used, quality = 0.99: H VAL 54 + HB2 ASP 77 OK 93 93 100 100 4.2-6.7 3.6/9673=88, 9242=88...(13) H LYS 53 + HB2 ASP 77 OK 90 100 90 100 5.0-7.8 3.0/9673=94, ~9678=73...(11) H ARG 79 - HB2 ASP 77 far 4 81 5 - 6.1-7.6 H LEU 2 - HB2 ASP 77 far 0 61 0 - 8.2-11.5 Violated in 2 structures by 0.02 A. Peak 9680 from cnoeabs.peaks (8.48, 2.63, 40.23 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.99: H ALA 67 + HB3 ASP 65 OK 99 99 100 100 4.6-5.6 7077/7067=89...(16) H VAL 54 + HB3 ASP 77 OK 35 100 35 100 4.6-6.9 9242/1.8=84...(11) H LYS 53 - HB3 ASP 77 far 9 94 10 - 5.3-8.0 H ARG 79 - HB3 ASP 77 far 0 97 0 - 6.7-7.9 H LEU 2 - HB3 ASP 77 far 0 87 0 - 9.5-12.9 Violated in 0 structures by 0.00 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 4.8-5.7 7274/7278=84...(9) HA PHE 45 - HB VAL 78 far 0 82 0 - 8.2-11.5 Violated in 17 structures by 0.27 A. Peak 9685 from cnoeabs.peaks (1.40, 1.78, 35.29 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 71 + HB VAL 78 OK 100 100 100 100 1.9-3.9 10835=98, 10210/2.1=74...(20) HB2 LEU 70 - HB VAL 78 far 0 65 0 - 6.7-9.5 HG13 ILE 76 - HB VAL 78 far 0 73 0 - 7.0-8.7 HG3 LYS 39 - HB VAL 78 far 0 63 0 - 9.4-12.7 HB3 ARG 30 - HB VAL 78 far 0 70 0 - 9.6-13.5 Violated in 6 structures by 0.05 A. Peak 9686 from cnoeabs.peaks (1.55, 1.78, 35.29 ppm; 4.72 A): 2 out of 7 assignments used, quality = 0.89: HG12 ILE 56 + HB VAL 78 OK 82 94 95 92 2.7-5.9 12206/10288=42, 2579=34...(13) HG2 ARG 79 + HB VAL 78 OK 36 96 40 94 4.6-8.1 4.7/7285=58, 9689/3.0=18...(15) HG LEU 6 - HB VAL 78 far 0 87 0 - 5.8-9.7 HG3 ARG 79 - HB VAL 78 far 0 97 0 - 6.2-7.6 HD3 LYS 53 - HB VAL 78 far 0 100 0 - 7.7-10.7 HB2 LEU 3 - HB VAL 78 far 0 100 0 - 8.3-12.8 HG LEU 2 - HB VAL 78 far 0 70 0 - 9.5-14.0 Violated in 4 structures by 0.08 A. Peak 9687 from cnoeabs.peaks (3.82, 1.78, 35.29 ppm; 5.63 A): 2 out of 5 assignments used, quality = 0.88: HA ALA 71 + HB VAL 78 OK 84 88 95 100 4.0-6.7 2.1/9685=100, ~10210=86...(14) HA LYS 68 + HB VAL 78 OK 28 95 35 84 4.6-7.9 10260/10288=56...(4) HA ALA 67 - HB VAL 78 far 0 75 0 - 6.8-9.0 HB3 SER 102 - HB VAL 78 far 0 98 0 - 8.7-20.1 HB3 SER 49 - HB VAL 78 far 0 70 0 - 9.5-12.9 Violated in 2 structures by 0.04 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 4.3-5.1 10210/3.2=83...(17) HG13 ILE 76 - HA VAL 78 far 0 84 0 - 8.3-8.7 Violated in 7 structures by 0.08 A. Peak 9689 from cnoeabs.peaks (1.55, 5.19, 58.80 ppm; 4.78 A): 3 out of 10 assignments used, quality = 0.91: HG3 ARG 79 + HA VAL 78 OK 61 97 65 97 4.9-5.9 4.7/7284=67...(13) HG12 ILE 56 + HA VAL 78 OK 55 94 65 90 4.5-7.5 9686/3.0=46, 4.9/9300=30...(15) HG2 ARG 79 + HA VAL 78 OK 47 96 50 97 3.2-6.4 4.7/7284=67...(15) HD3 LYS 53 - HA VAL 78 far 5 100 5 - 5.2-7.8 HG LEU 6 - HA VAL 78 far 0 87 0 - 7.4-9.2 HB2 LEU 3 - HA VAL 78 far 0 100 0 - 7.6-10.1 HG LEU 103 - HA VAL 78 far 0 71 0 - 8.1-16.3 HB2 LEU 103 - HA VAL 78 far 0 65 0 - 8.9-16.8 HG LEU 2 - HA VAL 78 far 0 70 0 - 9.4-12.0 HB3 LEU 103 - HA VAL 78 far 0 84 0 - 9.8-16.7 Violated in 3 structures by 0.03 A. Peak 9690 from cnoeabs.peaks (1.63, 5.19, 58.80 ppm; 4.90 A): 2 out of 7 assignments used, quality = 0.96: HB2 ARG 79 + HA VAL 78 OK 81 82 100 99 4.1-5.7 4.1/7284=80...(17) HB3 ARG 79 + HA VAL 78 OK 81 82 100 99 4.1-5.7 4.1/7284=80...(17) HB ILE 76 - HA VAL 78 far 9 95 10 - 5.7-6.5 HB3 LEU 6 - HA VAL 78 far 0 91 0 - 7.2-10.2 HD3 LYS 68 - HA VAL 78 far 0 87 0 - 7.8-12.5 HG2 LYS 68 - HA VAL 78 far 0 96 0 - 8.1-11.9 HD2 LYS 68 - HA VAL 78 far 0 85 0 - 8.7-13.3 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 = 0.95: QD1 LEU 55 + HB2 ARG 79 OK 90 91 100 99 1.9-4.7 9252/1.8=76...(13) HG2 ARG 81 + HB2 ARG 79 OK 53 98 80 68 2.8-6.4 9694/1.8=26...(10) Violated in 1 structures by 0.00 A. Peak 9694 from cnoeabs.peaks (0.40, 1.65, 31.20 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.87: QD1 LEU 55 + HB3 ARG 79 OK 71 71 100 100 2.0-3.9 9252=63, 4.0/12328=56...(14) HG2 ARG 81 + HB3 ARG 79 OK 54 85 85 75 3.0-7.2 9693/1.8=32, 9716/4.6=22...(10) Violated in 0 structures by 0.00 A. Peak 9695 from cnoeabs.peaks (0.43, 1.53, 26.76 ppm; 3.70 A): 2 out of 9 assignments used, quality = 0.99: QD1 LEU 55 + HG2 ARG 79 OK 97 99 100 98 1.9-4.2 9252/3.0=55, 9251=51...(19) QD1 LEU 55 + HG3 ARG 79 OK 72 99 75 97 2.0-4.9 9252/3.0=55, 9251/1.8=41...(17) HG2 ARG 81 - HG2 ARG 79 poor 17 100 30 56 2.7-8.8 9693/3.0=17, 9694/3.0=12...(12) HG2 ARG 81 - HG3 ARG 79 poor 14 100 25 57 2.7-8.3 9693/3.0=17, 9694/3.0=12...(13) QD1 LEU 3 - HG LEU 2 far 0 47 0 - 5.1-7.7 QD1 LEU 3 - HG3 ARG 79 far 0 65 0 - 6.8-10.8 QD1 LEU 55 - HG LEU 6 far 0 79 0 - 6.8-8.3 QD1 LEU 3 - HG2 ARG 79 far 0 65 0 - 7.2-10.0 HG2 ARG 81 - HG LEU 6 far 0 81 0 - 10.0-13.8 Violated in 4 structures by 0.03 A. Peak 9696 from cnoeabs.peaks (0.41, 3.07, 43.09 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.84: QD1 LEU 55 + HD3 ARG 79 OK 60 82 75 98 2.2-6.0 9252/3.8=50, 9693/3.8=37...(20) QD1 LEU 55 + HD2 ARG 79 OK 60 82 75 98 3.0-5.9 9252/3.8=50, 9693/3.8=37...(19) HG2 ARG 81 - HD3 ARG 79 far 14 93 15 - 4.8-9.6 HG2 ARG 81 - HD2 ARG 79 far 5 93 5 - 5.0-10.5 Violated in 7 structures by 0.12 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 3.9-5.9 3.6/12329=90...(12) Violated in 0 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 3.4-5.9 3.6/12328=90...(9) 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 = 0.69: HZ PHE 96 + HD2 ARG 79 OK 39 82 75 63 4.0-6.0 2.2/10912=30, ~10912=21...(11) QD PHE 96 + HD3 ARG 79 OK 35 100 45 78 3.4-7.0 2.2/10912=30, ~10912=21...(11) HZ PHE 96 + HD3 ARG 79 OK 23 82 45 62 3.1-6.4 2.2/10912=30, ~10912=21...(10) QD PHE 96 - HD2 ARG 79 poor 19 100 25 78 4.3-6.8 2.2/10912=30, ~10912=21...(11) HZ3 TRP 92 - HD3 ARG 79 far 0 81 0 - 6.4-10.7 HZ3 TRP 92 - HD2 ARG 79 far 0 80 0 - 6.7-11.6 Violated in 6 structures by 0.07 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 2.4-3.4 9299=97, 6922/10293=52...(15) 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 5.3-6.2 10914/2.1=96...(9) Violated in 18 structures by 0.31 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 4.0-5.4 9529/2.1=98...(18) H HIS 106 - HB THR 80 far 0 88 0 - 7.9-19.6 H GLU 104 - HB THR 80 far 0 59 0 - 9.2-21.1 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 = 0.94: H ASP 65 + HB THR 80 OK 84 99 85 100 6.3-7.3 4.9/9724=88...(16) H GLU 69 + HB THR 80 OK 63 84 75 100 5.5-7.4 9534/2.1=68...(13) H GLN 72 - HB THR 80 far 9 92 10 - 6.5-9.0 H LEU 70 - HB THR 80 far 0 73 0 - 7.1-9.0 Violated in 4 structures by 0.02 A. Peak 9705 from cnoeabs.peaks (8.21, 0.98, 22.13 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.91: H LYS 68 + QG2 THR 80 OK 91 91 100 100 2.3-3.5 9529=87, 2.9/10260=63...(21) H GLU 104 - QG2 THR 80 far 0 99 0 - 9.3-18.9 Violated in 0 structures by 0.00 A. Peak 9706 from cnoeabs.peaks (7.93, 0.98, 22.13 ppm; 5.38 A): 3 out of 5 assignments used, quality = 1.00: H ASP 65 + QG2 THR 80 OK 98 98 100 100 4.5-5.1 3.6/9476=85...(20) H GLU 69 + QG2 THR 80 OK 77 77 100 100 4.3-5.6 3.6/10260=80...(18) H LEU 70 + QG2 THR 80 OK 60 81 80 93 5.4-6.7 7116/9529=58...(6) H GLN 72 - QG2 THR 80 poor 14 87 25 64 5.9-7.4 9557/10259=47...(4) H LEU 42 - QG2 THR 80 far 0 77 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 9707 from cnoeabs.peaks (8.50, 0.98, 22.13 ppm; 4.62 A): 2 out of 5 assignments used, quality = 0.95: H ALA 67 + QG2 THR 80 OK 88 88 100 100 3.4-4.2 2.9/9732=74...(18) H VAL 58 + QG2 THR 80 OK 58 59 100 98 3.7-5.3 4.0/10223=67...(13) H ARG 79 - QG2 THR 80 far 10 100 10 - 5.5-6.4 H VAL 54 - QG2 THR 80 far 0 98 0 - 7.8-9.1 H VAL 32 - QG2 THR 80 far 0 88 0 - 8.9-10.4 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 4.2-4.7 3.0/3568=86, ~7313=63...(17) HA ASP 61 - HB THR 80 far 0 99 0 - 7.9-9.8 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 = 0.92: HA LYS 82 + QG2 THR 80 OK 86 99 95 92 4.5-5.4 9486/10762=53...(7) HA ARG 79 + QG2 THR 80 OK 46 100 50 92 5.0-5.5 7298/7307=78...(4) Violated in 18 structures by 0.08 A. Peak 9712 from cnoeabs.peaks (4.34, 0.98, 22.13 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.98: HA ARG 81 + QG2 THR 80 OK 92 92 100 100 3.2-4.7 3.0/7313=96, 9710/2.1=78...(15) HA ASP 65 + QG2 THR 80 OK 79 79 100 100 4.3-5.3 7100/9529=61...(18) HA ASP 61 - QG2 THR 80 far 0 88 0 - 6.3-7.2 HA SER 102 - QG2 THR 80 far 0 61 0 - 9.9-18.8 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 4.1-4.9 6915/9299=83...(12) HA LYS 82 - HA THR 80 far 0 70 0 - 6.2-6.8 HA LEU 27 - HA ILE 52 far 0 63 0 - 9.3-10.2 Violated in 1 structures by 0.00 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 4.4-4.4 3.0/7311=99, 9741=73...(15) HA ASP 65 - HA THR 80 far 0 88 0 - 7.8-9.0 HA ASP 61 - HA THR 80 far 0 79 0 - 9.7-10.8 HA LEU 103 - HA THR 80 far 0 68 0 - 9.9-18.6 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 3 assignments used, quality = 0.89: HE3 LYS 68 + HB THR 80 OK 73 92 80 100 2.2-7.1 3.6/10788=66...(16) HE2 LYS 68 + HB THR 80 OK 58 90 65 100 3.2-6.8 3.6/10788=66...(17) HE3 LYS 82 - HB THR 80 far 0 71 0 - 7.4-10.9 Violated in 6 structures by 0.11 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 2.5-5.6 10259/2.1=66...(21) HB3 LYS 68 + HB THR 80 OK 95 95 100 100 2.2-5.7 2.9/10788=63...(25) HB3 GLU 104 - HB THR 80 far 0 96 0 - 8.2-22.9 HB VAL 54 - HB THR 80 far 0 75 0 - 8.4-10.3 HB3 LYS 66 - HB THR 80 far 0 100 0 - 8.6-9.4 HB3 LEU 57 - HB THR 80 far 0 77 0 - 9.4-10.1 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 7 assignments used, quality = 0.93: HB ILE 56 + HB THR 80 OK 89 99 90 100 4.0-5.5 9729/2.1=91...(22) HD2 ARG 81 + HB THR 80 OK 38 79 55 87 4.5-7.3 5.3/9710=32, 6.2/3568=29...(10) HB VAL 78 - HB THR 80 far 0 84 0 - 6.0-9.0 HB3 LYS 82 - HB THR 80 far 0 99 0 - 6.4-8.2 HB3 LEU 70 - HB THR 80 far 0 59 0 - 7.7-10.9 HB3 GLU 63 - HB THR 80 far 0 87 0 - 8.2-9.7 HB2 LYS 66 - HB THR 80 far 0 98 0 - 9.3-10.1 Violated in 12 structures by 0.03 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 84 94 90 100 2.4-5.1 3.0/10788=41, 12322=38...(25) HG2 LYS 68 + HB THR 80 OK 84 99 85 100 2.0-5.2 10256/2.1=61, 10788=48...(24) HD2 LYS 68 + HB THR 80 OK 32 93 35 100 3.9-6.2 3.0/10788=41...(25) HB3 ARG 79 - HB THR 80 far 0 91 0 - 5.3-7.4 HB2 ARG 79 - HB THR 80 far 0 71 0 - 5.6-7.1 HB3 LEU 6 - HB THR 80 far 0 96 0 - 8.7-11.8 Violated in 5 structures by 0.04 A. Peak 9721 from cnoeabs.peaks (1.47, 3.68, 69.77 ppm; 4.31 A): 2 out of 7 assignments used, quality = 0.98: HG LEU 64 + HB THR 80 OK 94 99 95 100 4.4-5.3 2.1/9724=93, 2.1/9723=66...(20) HB3 LEU 64 + HB THR 80 OK 70 93 75 100 4.4-6.0 3.1/9724=79, 3.1/9723=55...(18) HG LEU 38 - HB THR 80 far 0 98 0 - 8.0-12.7 HB2 LEU 38 - HB THR 80 far 0 96 0 - 8.9-11.8 HD2 LYS 82 - HB THR 80 far 0 98 0 - 8.9-11.0 HG LEU 57 - HB THR 80 far 0 77 0 - 9.7-10.5 HG2 LYS 66 - HB THR 80 far 0 92 0 - 9.7-11.3 Violated in 5 structures by 0.09 A. Peak 9722 from cnoeabs.peaks (1.34, 3.68, 69.77 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.99: QB ALA 67 + HB THR 80 OK 99 100 100 99 3.9-4.8 9732/2.1=73...(16) HG3 LYS 68 + HB THR 80 OK 35 99 35 100 2.5-5.8 12321/2.1=62...(20) HB2 LYS 82 - HB THR 80 far 0 100 0 - 5.6-7.3 HB2 LEU 70 - HB THR 80 far 0 77 0 - 8.6-11.1 HG12 ILE 8 - HB THR 80 far 0 87 0 - 9.5-11.4 Violated in 9 structures by 0.12 A. Peak 9723 from cnoeabs.peaks (0.84, 3.68, 69.77 ppm; 4.61 A): 1 out of 9 assignments used, quality = 0.81: QD2 LEU 64 + HB THR 80 OK 81 85 95 100 4.0-5.5 2.1/9724=98, 10246=69...(20) QD1 LEU 57 - HB THR 80 far 0 99 0 - 6.2-7.8 QD1 LEU 38 - HB THR 80 far 0 88 0 - 6.5-9.2 QD2 LEU 38 - HB THR 80 far 0 96 0 - 7.1-9.1 QD2 LEU 103 - HB THR 80 far 0 99 0 - 7.2-16.9 QD1 LEU 103 - HB THR 80 far 0 82 0 - 7.8-17.8 QD1 LEU 70 - HB THR 80 far 0 90 0 - 7.8-10.7 QD2 LEU 70 - HB THR 80 far 0 77 0 - 8.9-10.7 QG2 VAL 32 - HB THR 80 far 0 100 0 - 9.4-10.8 Violated in 6 structures by 0.14 A. Peak 9724 from cnoeabs.peaks (0.73, 3.68, 69.77 ppm; 3.22 A): 1 out of 12 assignments used, quality = 0.99: QD1 LEU 64 + HB THR 80 OK 99 100 100 100 2.0-3.0 10244=78, 10762/2.1=65...(26) QD1 ILE 56 - HB THR 80 far 12 81 15 - 3.8-7.2 QG2 VAL 78 - HB THR 80 far 0 97 0 - 4.3-7.9 QG1 VAL 58 - HB THR 80 far 0 96 0 - 4.7-6.3 QG1 VAL 78 - HB THR 80 far 0 99 0 - 5.0-7.9 HG13 ILE 56 - HB THR 80 far 0 91 0 - 5.7-8.4 HG3 ARG 81 - HB THR 80 far 0 100 0 - 6.2-7.4 QD1 ILE 8 - HB THR 80 far 0 84 0 - 6.2-7.8 QD2 LEU 42 - HB THR 80 far 0 75 0 - 7.4-9.0 QG1 VAL 54 - HB THR 80 far 0 84 0 - 7.7-9.1 QD1 LEU 6 - HB THR 80 far 0 68 0 - 8.1-9.8 QG1 VAL 5 - HB THR 80 far 0 99 0 - 8.9-9.9 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 4.8-6.0 9327/2.1=87, 2.1/9321=87...(19) Violated in 9 structures by 0.19 A. Peak 9726 from cnoeabs.peaks (0.43, 3.68, 69.77 ppm; 5.83 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + HB THR 80 OK 90 100 90 100 5.3-6.8 9258/3.0=90...(7) HG2 ARG 81 + HB THR 80 OK 90 100 90 100 4.6-7.9 4.9/3568=75, 3.9/9710=73...(8) 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 2.4-4.0 10260=50, 2.9/9529=49...(21) HA LEU 64 + QG2 THR 80 OK 76 77 100 99 1.9-2.8 9476=55, 4.0/10762=46...(16) HB3 SER 102 - QG2 THR 80 far 0 77 0 - 8.0-18.1 Violated in 0 structures by 0.00 A. Peak 9728 from cnoeabs.peaks (2.09, 0.98, 22.13 ppm; 5.30 A): 1 out of 11 assignments used, quality = 0.92: HB2 LEU 64 + QG2 THR 80 OK 92 92 100 100 3.9-4.7 3.1/10762=96...(21) HG2 GLU 69 - QG2 THR 80 poor 19 70 40 69 5.7-7.2 5.1/9534=44...(9) HB2 GLU 69 - QG2 THR 80 far 0 70 0 - 6.4-7.6 HB3 LEU 38 - QG2 THR 80 far 0 92 0 - 6.6-7.7 HG3 GLU 104 - QG2 THR 80 far 0 100 0 - 6.7-21.4 HB3 GLU 69 - QG2 THR 80 far 0 70 0 - 7.4-8.6 HB3 GLU 35 - QG2 THR 80 far 0 98 0 - 8.2-9.8 HB3 GLU 62 - QG2 THR 80 far 0 100 0 - 8.6-9.7 HB VAL 83 - QG2 THR 80 far 0 92 0 - 9.0-10.0 HB2 MET 74 - QG2 THR 80 far 0 77 0 - 10.0-12.1 HB3 GLU 88 - QG2 THR 80 far 0 96 0 - 10.0-11.8 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 1.9-2.9 2.1/9734=62, 9328=58...(24) HD2 ARG 81 - QG2 THR 80 far 0 88 0 - 4.5-6.8 HB3 GLU 63 - QG2 THR 80 far 0 77 0 - 5.2-6.4 HB VAL 78 - QG2 THR 80 far 0 73 0 - 5.2-7.6 HB3 LYS 82 - QG2 THR 80 far 0 96 0 - 5.3-6.3 HB3 LEU 70 - QG2 THR 80 far 0 71 0 - 5.5-8.1 HB2 LYS 66 - QG2 THR 80 far 0 94 0 - 6.4-7.1 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 10 assignments used, quality = 1.00: HG2 LYS 68 + QG2 THR 80 OK 99 100 100 99 2.4-4.2 10256=51, 1.8/12321=50...(23) HD3 LYS 68 + QG2 THR 80 OK 82 98 85 99 3.1-5.0 3.0/12321=41...(24) HD2 LYS 68 - QG2 THR 80 far 5 98 5 - 4.1-5.5 HB3 ARG 79 - QG2 THR 80 far 0 96 0 - 5.4-6.8 HB2 ARG 79 - QG2 THR 80 far 0 59 0 - 5.4-6.8 HB3 LEU 6 - QG2 THR 80 far 0 99 0 - 5.8-8.0 HD2 LYS 66 - QG2 THR 80 far 0 61 0 - 8.0-9.2 HB ILE 76 - QG2 THR 80 far 0 100 0 - 8.5-10.1 HD3 LYS 73 - QG2 THR 80 far 0 84 0 - 9.5-12.3 HD2 LYS 73 - QG2 THR 80 far 0 81 0 - 9.5-11.9 Violated in 5 structures by 0.03 A. Peak 9731 from cnoeabs.peaks (1.86, 0.98, 22.13 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.98: HB3 LYS 68 + QG2 THR 80 OK 92 97 95 100 1.9-4.6 3.0/10260=48...(27) HB2 LYS 68 + QG2 THR 80 OK 74 93 80 100 2.4-5.0 3.0/10260=48...(19) HB ILE 8 - QG2 THR 80 far 0 61 0 - 5.4-6.9 HB3 LYS 66 - QG2 THR 80 far 0 100 0 - 5.7-6.5 HB3 LEU 57 - QG2 THR 80 far 0 71 0 - 6.2-7.3 HB VAL 54 - QG2 THR 80 far 0 81 0 - 6.6-7.8 HG LEU 42 - QG2 THR 80 far 0 59 0 - 7.5-8.4 HB3 GLU 104 - QG2 THR 80 far 0 98 0 - 8.7-20.6 HB2 LYS 53 - QG2 THR 80 far 0 96 0 - 9.4-10.7 HB VAL 5 - QG2 THR 80 far 0 100 0 - 9.7-10.6 HB3 LYS 39 - QG2 THR 80 far 0 100 0 - 9.7-11.9 Violated in 3 structures by 0.03 A. Peak 9732 from cnoeabs.peaks (1.34, 0.98, 22.13 ppm; 2.98 A): 2 out of 8 assignments used, quality = 0.98: QB ALA 67 + QG2 THR 80 OK 98 100 100 98 1.8-2.4 9528/9734=34...(26) HG3 LYS 68 + QG2 THR 80 OK 24 99 25 95 1.9-5.2 12321=33, 1.8/10256=32...(20) HB2 LYS 82 - QG2 THR 80 far 0 100 0 - 4.2-5.0 HB2 LEU 70 - QG2 THR 80 far 0 77 0 - 5.8-8.1 HG12 ILE 8 - QG2 THR 80 far 0 87 0 - 5.9-7.6 QB ALA 89 - QG2 THR 80 far 0 100 0 - 7.8-9.2 HB3 LEU 42 - QG2 THR 80 far 0 65 0 - 8.8-10.2 HG2 LYS 39 - QG2 THR 80 far 0 100 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 9733 from cnoeabs.peaks (0.72, 0.98, 22.13 ppm; 2.60 A): 3 out of 16 assignments used, quality = 0.99: QD1 LEU 64 + QG2 THR 80 OK 92 94 100 97 1.7-2.1 10762=50, 9724/2.1=40...(33) QD1 ILE 56 + QG2 THR 80 OK 79 96 90 92 1.9-4.5 2.1/12206=31...(22) QG1 VAL 58 + QG2 THR 80 OK 70 100 85 83 2.3-3.7 10223=39, 9385/9476=20...(16) HG13 ILE 56 - QG2 THR 80 far 15 99 15 - 2.7-5.3 QG2 VAL 78 - QG2 THR 80 far 10 100 10 - 3.3-6.4 QD1 ILE 8 - QG2 THR 80 far 5 97 5 - 3.5-4.8 QG1 VAL 78 - QG2 THR 80 far 0 90 0 - 3.9-6.3 HG3 ARG 81 - QG2 THR 80 far 0 96 0 - 5.4-6.8 QG1 VAL 54 - QG2 THR 80 far 0 61 0 - 5.6-6.6 QD1 LEU 42 - QG2 THR 80 far 0 68 0 - 5.7-6.7 QG1 VAL 5 - QG2 THR 80 far 0 100 0 - 6.6-7.5 QD2 LEU 6 - QG2 THR 80 far 0 63 0 - 6.7-8.1 QD2 LEU 14 - QG2 THR 80 far 0 96 0 - 7.8-9.1 HG13 ILE 93 - QG2 THR 80 far 0 92 0 - 9.4-11.7 QD1 ILE 15 - QG2 THR 80 far 0 65 0 - 9.7-11.2 QG2 ILE 93 - QG2 THR 80 far 0 82 0 - 9.8-10.9 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 2.2-3.3 9327=95, 2.1/9729=69...(26) QD1 ILE 7 - QG2 THR 80 far 0 87 0 - 7.5-8.8 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 4.4-4.4 7311/3.0=99, 9714=78...(16) Violated in 0 structures by 0.00 A. Peak 9742 from cnoeabs.peaks (1.52, 4.36, 53.27 ppm; 5.81 A): 2 out of 6 assignments used, quality = 0.86: HB3 LEU 64 + HA ARG 81 OK 77 79 100 98 4.5-5.9 3.1/9483=51, 3.1/9745=44...(13) HG LEU 64 + HA ARG 81 OK 37 59 65 97 5.3-7.1 2.1/9483=53, 2.1/9745=48...(11) HG2 ARG 79 - HA ARG 81 far 14 96 15 - 5.6-9.1 HG3 ARG 79 - HA ARG 81 poor 13 96 25 56 5.9-9.0 7301/10920=25...(5) HG12 ILE 56 - HA ARG 81 far 5 98 5 - 6.6-9.6 HG LEU 57 - HA ARG 81 far 0 94 0 - 7.2-8.0 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 4 assignments used, quality = 1.00: HB2 LYS 82 + HA ARG 81 OK 100 100 100 100 4.2-4.8 7332/7324=97, 9764=50...(13) QB ALA 67 - HA ARG 81 far 5 99 5 - 5.8-7.1 HG3 LYS 68 - HA ARG 81 far 0 100 0 - 6.6-9.8 QB ALA 89 - HA ARG 81 far 0 100 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 9744 from cnoeabs.peaks (0.83, 0.93, 33.91 ppm; 4.70 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 57 + HB2 ARG 81 OK 99 100 100 99 2.2-4.5 9748/1.8=46, 9736/4.0=45...(15) QD2 LEU 57 + HB2 ARG 81 OK 40 65 65 94 3.3-6.8 9748/1.8=35, ~9748=34...(13) QD2 LEU 64 - HB2 ARG 81 far 8 75 10 - 5.2-6.9 QD1 LEU 103 - HB2 ARG 81 far 0 71 0 - 7.8-16.8 QD2 LEU 103 - HB2 ARG 81 far 0 100 0 - 8.2-16.2 QD2 LEU 38 - HB2 ARG 81 far 0 99 0 - 8.7-12.3 QG2 ILE 7 - HB2 ARG 81 far 0 71 0 - 9.3-11.7 QD1 LEU 38 - HB2 ARG 81 far 0 79 0 - 9.4-12.9 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 6 assignments used, quality = 1.00: QD1 LEU 57 + HA ARG 81 OK 94 96 100 98 4.3-5.3 9736/3.0=52, 9744/3.0=41...(16) QD2 LEU 64 + HA ARG 81 OK 92 93 100 99 3.4-5.0 10247/7324=60...(15) QD2 LEU 103 - HA ARG 81 far 0 95 0 - 7.6-16.5 QD1 LEU 103 - HA ARG 81 far 0 91 0 - 7.9-17.1 QD1 LEU 38 - HA ARG 81 far 0 95 0 - 8.7-11.8 QD2 LEU 38 - HA ARG 81 far 0 91 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 9746 from cnoeabs.peaks (0.84, 2.31, 42.21 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.88: QD1 LEU 57 + HD3 ARG 81 OK 82 99 85 98 5.0-6.3 9744/3.4=46, 9747/3.0=45...(13) QD2 LEU 64 + HD3 ARG 81 OK 30 85 45 79 4.4-6.7 10247/7330=43...(7) QD1 LEU 103 - HD3 ARG 81 far 0 82 0 - 5.8-15.7 QD2 LEU 103 - HD3 ARG 81 far 0 99 0 - 6.1-14.6 Violated in 14 structures by 0.11 A. Peak 9747 from cnoeabs.peaks (0.82, 0.43, 25.88 ppm; 4.62 A): 2 out of 7 assignments used, quality = 0.94: QD1 LEU 57 + HG2 ARG 81 OK 89 100 90 99 3.5-5.6 9744/2.9=45, 9746/3.0=42...(19) QD2 LEU 57 + HG2 ARG 81 OK 47 77 65 93 3.7-6.5 ~9744=30, ~9746=29...(15) QD2 LEU 64 - HG2 ARG 81 far 0 63 0 - 5.7-7.4 QD1 LEU 103 - HG2 ARG 81 far 0 59 0 - 6.0-15.2 QD2 LEU 103 - HG2 ARG 81 far 0 100 0 - 6.4-14.8 QD1 LEU 38 - HG2 ARG 81 far 0 68 0 - 9.0-13.3 QD2 LEU 38 - HG2 ARG 81 far 0 100 0 - 9.0-13.0 Violated in 1 structures by 0.00 A. Peak 9748 from cnoeabs.peaks (0.82, 1.06, 33.91 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 57 + HB3 ARG 81 OK 98 99 100 98 2.1-3.5 9744/1.8=49...(15) QD2 LEU 57 + HB3 ARG 81 OK 73 87 90 94 2.4-6.1 ~9744=36, 4.0/12209=30...(13) QD2 LEU 103 - HB3 ARG 81 far 0 100 0 - 8.3-16.6 QD2 LEU 38 - HB3 ARG 81 far 0 100 0 - 9.0-11.5 QG2 ILE 7 - HB3 ARG 81 far 0 91 0 - 9.2-10.5 QG2 ILE 8 - HB3 ARG 81 far 0 71 0 - 9.7-10.6 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 = 0.88: HE3 TRP 92 + HD3 ARG 81 OK 67 88 85 90 4.2-8.1 9276/9253=57, ~14661=53...(4) HZ2 TRP 92 + HD3 ARG 81 OK 62 63 100 98 2.3-6.8 ~9975=68, 10925/1.8=63...(7) HE22 GLN 72 - HD3 ARG 81 far 0 98 0 - 9.0-14.8 H ALA 89 - HD3 ARG 81 far 0 79 0 - 9.6-11.9 Violated in 0 structures by 0.00 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 13 assignments used, quality = 1.00: QD2 LEU 64 + HB2 LYS 82 OK 100 100 100 100 2.0-3.1 10252=99, 10253/1.8=78...(18) QG2 VAL 32 + HB3 ARG 30 OK 24 48 95 54 4.1-5.2 10335=25, 1407/4.7=9...(8) QD1 LEU 57 - HB2 LYS 82 far 0 81 0 - 5.5-6.5 QD2 LEU 38 - HB3 ARG 30 far 0 37 0 - 5.8-9.4 QD1 LEU 38 - HB3 ARG 30 far 0 61 0 - 6.8-9.6 HG13 ILE 8 - HB2 LYS 82 far 0 73 0 - 8.3-11.1 QD1 LEU 38 - HB2 LYS 82 far 0 100 0 - 8.4-11.3 QD2 LEU 38 - HB2 LYS 82 far 0 71 0 - 8.6-10.2 HG13 ILE 8 - HB3 ARG 30 far 0 38 0 - 8.6-10.2 HG13 ILE 7 - HB3 ARG 30 far 0 31 0 - 9.3-10.3 HG13 ILE 7 - HB2 LYS 82 far 0 61 0 - 9.3-10.7 QD1 LEU 57 - HB3 ARG 30 far 0 43 0 - 9.5-11.0 QG2 ILE 76 - HB3 ARG 30 far 0 43 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9757 from cnoeabs.peaks (0.69, 1.34, 32.60 ppm; 3.72 A): 3 out of 21 assignments used, quality = 0.99: QG2 VAL 58 + HB2 LYS 82 OK 94 94 100 100 1.9-3.0 9759/1.8=59...(25) QD2 LEU 6 + HB3 ARG 30 OK 60 61 100 99 1.9-2.7 8717/1.8=66, 8722/3.6=37...(19) QG1 VAL 58 + HB2 LYS 82 OK 57 82 70 98 4.2-5.0 ~9759=39, 2.1/9378=36...(19) QG1 VAL 5 - HB3 ARG 30 far 0 37 0 - 5.2-7.4 QD1 ILE 56 - HB3 ARG 30 far 0 57 0 - 5.6-10.2 QD1 LEU 29 - HB3 ARG 30 far 0 29 0 - 5.8-6.6 QG2 VAL 54 - HB3 ARG 30 far 0 30 0 - 5.9-7.6 QD1 ILE 8 - HB2 LYS 82 far 0 96 0 - 6.5-7.5 HG13 ILE 56 - HB3 ARG 30 far 0 51 0 - 7.0-10.2 QD1 ILE 8 - HB3 ARG 30 far 0 55 0 - 7.1-8.7 QD1 ILE 56 - HB2 LYS 82 far 0 97 0 - 7.6-9.4 QD2 LEU 14 - HB2 LYS 82 far 0 96 0 - 7.8-9.3 QD1 LEU 14 - HB2 LYS 82 far 0 96 0 - 8.0-9.5 QD1 LEU 42 - HB3 ARG 30 far 0 61 0 - 8.2-9.8 QD1 ILE 52 - HB3 ARG 30 far 0 62 0 - 8.4-10.2 QG2 VAL 78 - HB3 ARG 30 far 0 43 0 - 8.5-10.4 QG2 VAL 78 - HB2 LYS 82 far 0 81 0 - 8.6-12.1 HG13 ILE 56 - HB2 LYS 82 far 0 91 0 - 9.3-11.3 QD2 LEU 27 - HB3 ARG 30 far 0 34 0 - 9.4-11.1 QG1 VAL 58 - HB3 ARG 30 far 0 44 0 - 9.6-10.9 QG1 VAL 5 - HB2 LYS 82 far 0 71 0 - 9.6-11.2 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 4 assignments used, quality = 0.98: QD2 LEU 64 + HB3 LYS 82 OK 98 98 100 100 2.4-3.9 10253=96, 10252/1.8=89...(19) QD1 LEU 57 - HB3 LYS 82 far 0 90 0 - 5.6-6.7 QD1 LEU 38 - HB3 LYS 82 far 0 99 0 - 9.7-12.8 HG13 ILE 8 - HB3 LYS 82 far 0 61 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 9759 from cnoeabs.peaks (0.69, 1.76, 32.60 ppm; 4.25 A): 1 out of 7 assignments used, quality = 0.98: QG2 VAL 58 + HB3 LYS 82 OK 98 98 100 100 3.3-3.9 10228/3.0=73...(21) QG1 VAL 58 - HB3 LYS 82 far 0 71 0 - 5.6-6.1 QD1 ILE 8 - HB3 LYS 82 far 0 90 0 - 7.9-8.9 QD1 LEU 14 - HB3 LYS 82 far 0 99 0 - 7.9-9.2 QD2 LEU 14 - HB3 LYS 82 far 0 91 0 - 8.1-9.2 QD1 ILE 56 - HB3 LYS 82 far 0 92 0 - 8.5-10.6 QG2 VAL 78 - HB3 LYS 82 far 0 70 0 - 9.7-13.1 Violated in 0 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 1.9-3.7 10222/1.8=77...(22) QD2 LEU 14 - HG2 LYS 82 far 0 57 0 - 6.6-8.3 QD1 LEU 14 - HG2 LYS 82 far 0 99 0 - 6.7-8.5 QD1 ILE 56 - HG2 LYS 82 far 0 59 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 9761 from cnoeabs.peaks (0.75, 1.06, 25.00 ppm; 3.92 A): 1 out of 9 assignments used, quality = 0.74: QG1 VAL 58 + HG2 LYS 82 OK 74 82 90 100 4.2-6.2 2.1/9760=66, ~10222=46...(24) QD1 LEU 64 - HG2 LYS 82 poor 20 100 20 - 4.5-6.0 QD1 ILE 8 - HG2 LYS 82 far 0 61 0 - 6.1-8.9 QG2 ILE 8 - HG2 LYS 82 far 0 59 0 - 6.2-8.7 QD2 LEU 14 - HG2 LYS 82 far 0 59 0 - 6.6-8.3 HG3 ARG 81 - HG2 LYS 82 far 0 99 0 - 6.7-9.9 QD1 ILE 15 - HG2 LYS 82 far 0 98 0 - 9.5-11.8 QG1 VAL 5 - HG2 LYS 82 far 0 91 0 - 9.7-11.3 QG2 VAL 78 - HG2 LYS 82 far 0 84 0 - 9.8-13.5 Violated in 20 structures by 0.56 A. Peak 9762 from cnoeabs.peaks (0.78, 1.14, 25.00 ppm; 4.35 A): 0 out of 13 assignments used, quality = 0.00: QD1 LEU 64 - HG3 LYS 82 far 0 65 0 - 5.5-6.2 HG3 ARG 81 - HG3 LYS 82 far 0 61 0 - 5.8-9.6 QD1 LEU 6 - HG2 LYS 40 far 0 48 0 - 6.6-8.0 QD2 LEU 57 - HG3 LYS 82 far 0 94 0 - 6.8-8.7 QG2 ILE 8 - HG3 LYS 82 far 0 99 0 - 7.2-8.6 QD2 LEU 42 - HG2 LYS 40 far 0 46 0 - 8.0-9.2 QD1 ILE 76 - HG2 LYS 40 far 0 38 0 - 8.1-9.5 QD1 LEU 70 - HG2 LYS 40 far 0 24 0 - 8.5-10.4 QG1 VAL 54 - HG2 LYS 40 far 0 43 0 - 8.6-10.0 QD2 LEU 70 - HG2 LYS 40 far 0 32 0 - 9.0-11.5 QG2 ILE 7 - HG3 LYS 82 far 0 91 0 - 9.3-10.7 QD1 ILE 15 - HG3 LYS 82 far 0 94 0 - 9.4-11.7 QG1 VAL 78 - HG2 LYS 40 far 0 30 0 - 9.8-12.2 Violated in 20 structures by 0.73 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 2.5-3.8 10222=94, 9760/1.8=77...(19) QD1 LEU 14 - HG3 LYS 82 far 0 96 0 - 5.9-7.6 QD2 LEU 6 - HG2 LYS 40 far 0 37 0 - 6.3-8.5 QD1 LEU 42 - HG2 LYS 40 far 0 35 0 - 7.3-8.2 QG2 VAL 54 - HG2 LYS 40 far 0 48 0 - 9.2-10.5 QD1 ILE 52 - HG2 LYS 40 far 0 30 0 - 9.6-11.3 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 4.2-4.8 7324/7332=94, 9743=89...(13) HA ASP 61 + HB2 LYS 82 OK 98 98 100 100 4.1-5.1 9446=84, 9766/3.5=65...(12) 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 99 4.4-5.0 3.6/7333=85, 9743/1.8=54...(12) HA ASP 61 + HB3 LYS 82 OK 75 77 100 97 4.8-5.5 9446/1.8=48...(9) HA ASP 65 - HB3 LYS 82 far 0 90 0 - 8.1-9.8 Violated in 0 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 2.6-4.5 9767/1.8=73, 9769/3.0=58...(16) HA ARG 81 - HD2 LYS 82 far 0 100 0 - 8.0-8.1 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 2.4-5.0 9766/1.8=86, 3.0/9443=68...(16) HA ARG 81 - HD3 LYS 82 far 0 100 0 - 6.7-7.3 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 5 assignments used, quality = 1.00: QG2 VAL 58 + HD3 LYS 82 OK 100 100 100 100 2.7-4.3 10222/2.9=88...(19) QD1 ILE 8 - HD3 LYS 82 far 0 70 0 - 7.5-9.3 QD1 LEU 14 - HD3 LYS 82 far 0 100 0 - 7.8-9.8 QD2 LEU 14 - HD3 LYS 82 far 0 71 0 - 8.2-9.7 QD1 ILE 56 - HD3 LYS 82 far 0 73 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 9769 from cnoeabs.peaks (4.35, 2.74, 41.51 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.98: HA ASP 61 + HE2 LYS 82 OK 98 98 100 100 2.0-5.3 9766/3.0=75, 9767/3.0=68...(16) HA ARG 81 - HE2 LYS 82 far 0 99 0 - 6.5-8.2 Violated in 3 structures by 0.01 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 2.3-3.0 9779/2.1=74...(15) Violated in 0 structures by 0.00 A. Peak 9775 from cnoeabs.peaks (7.42, 2.11, 35.30 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: H ALA 89 + HB VAL 83 OK 100 100 100 100 3.1-3.9 9780/2.1=88, 9794/2.1=84...(20) HE3 TRP 92 - HB VAL 83 far 5 100 5 - 5.5-9.2 Violated in 0 structures by 0.00 A. Peak 9776 from cnoeabs.peaks (7.07, 2.11, 35.30 ppm; 5.16 A): 0 out of 1 assignment used, quality = 0.00: HZ3 TRP 92 - HB VAL 83 far 10 100 10 - 5.1-10.6 Violated in 19 structures by 4.54 A. Peak 9777 from cnoeabs.peaks (6.85, 2.11, 35.30 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.83: HD1 TRP 92 + HB VAL 83 OK 83 92 90 100 4.0-6.9 9782/2.1=93, 9796/2.1=89...(16) Violated in 2 structures by 0.11 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 2.2-3.8 9774/2.1=70...(17) H LEU 64 - QG2 VAL 83 far 0 81 0 - 7.8-8.6 H MET 21 - QG2 VAL 83 far 0 100 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 9780 from cnoeabs.peaks (7.42, 0.96, 21.21 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: H ALA 89 + QG2 VAL 83 OK 100 100 100 100 2.5-3.8 7407/9931=75...(27) HE3 TRP 92 - QG2 VAL 83 far 5 99 5 - 4.8-8.3 Violated in 0 structures by 0.00 A. Peak 9781 from cnoeabs.peaks (7.07, 0.96, 21.21 ppm; 4.92 A): 0 out of 2 assignments used, quality = 0.00: HZ3 TRP 92 - QG2 VAL 83 far 10 100 10 - 4.6-9.6 QD PHE 96 - QG2 VAL 83 far 0 68 0 - 9.3-9.8 Violated in 18 structures by 3.03 A. Peak 9782 from cnoeabs.peaks (6.86, 0.96, 21.21 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.89: HD1 TRP 92 + QG2 VAL 83 OK 89 99 90 100 3.7-7.0 9796/2.1=94...(22) HD21 ASN 60 - QG2 VAL 83 far 0 99 0 - 7.4-9.7 Violated in 4 structures by 0.28 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 3.7-4.3 2.9/9819=89...(17) 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 3.2-4.1 10728=93, 9772/7354=87...(9) 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 99 100 100 3.6-3.9 7343/7354=80...(9) HA LEU 55 - QG2 VAL 83 far 0 59 0 - 8.7-9.5 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 3 assignments used, quality = 1.00: HA THR 84 + QG2 VAL 83 OK 100 100 100 100 3.6-4.3 3.0/7361=85, 3.6/9779=71...(12) HA ILE 8 - QG2 VAL 83 far 0 81 0 - 7.3-7.9 HA ASP 11 - QG2 VAL 83 far 0 98 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 9787 from cnoeabs.peaks (8.76, 0.96, 21.21 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.67: H LYS 82 + QG2 VAL 83 OK 67 68 100 100 5.4-5.8 3.0/9785=87, 4.5/7354=81...(8) H ARG 81 - QG2 VAL 83 poor 20 100 20 - 5.8-6.6 Violated in 20 structures by 0.34 A. Peak 9788 from cnoeabs.peaks (8.54, 0.96, 21.21 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: H VAL 58 + QG2 VAL 83 OK 100 100 100 100 3.3-4.2 9771/7354=64...(13) H ASP 61 - QG2 VAL 83 far 0 61 0 - 8.5-9.3 H LYS 12 - QG2 VAL 83 far 0 88 0 - 9.9-10.5 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 99 99 100 100 3.8-5.0 3.0/9799=97, 4.5/7355=93...(7) H ARG 81 + QG1 VAL 83 OK 82 84 100 98 5.1-5.5 11122/9797=68...(7) 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 3.8-4.7 9788/2.1=91...(12) H ARG 79 - QG1 VAL 83 far 0 81 0 - 9.6-10.3 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 3 assignments used, quality = 1.00: H SER 85 + QG1 VAL 83 OK 100 100 100 100 3.9-4.6 9779/2.1=90, 9774/2.1=88...(15) H LEU 64 - QG1 VAL 83 far 0 68 0 - 8.4-9.2 H MET 21 - QG1 VAL 83 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 9794 from cnoeabs.peaks (7.43, 1.01, 23.61 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.98: H ALA 89 + QG1 VAL 83 OK 98 98 100 100 2.8-3.7 7407/9810=73...(27) HE3 TRP 92 - QG1 VAL 83 far 10 100 10 - 2.7-6.2 H ARG 91 - QG1 VAL 83 far 0 71 0 - 5.2-6.3 Violated in 0 structures by 0.00 A. Peak 9795 from cnoeabs.peaks (7.05, 1.01, 23.61 ppm; 5.53 A): 0 out of 2 assignments used, quality = 0.00: HZ3 TRP 92 - QG1 VAL 83 far 10 97 10 - 2.5-7.3 QD PHE 96 - QG1 VAL 83 far 0 93 0 - 7.7-8.7 Violated in 18 structures by 0.84 A. Peak 9796 from cnoeabs.peaks (6.87, 1.01, 23.61 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.89: HD1 TRP 92 + QG1 VAL 83 OK 89 100 90 99 1.9-4.8 2.6/9998=53, 9782/2.1=40...(20) HD21 ASN 60 - QG1 VAL 83 far 0 100 0 - 8.9-11.8 Violated in 2 structures by 0.13 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 3.4-4.3 2.9/9809=83, 9783/2.1=74...(20) 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 5.1-5.7 10728/2.1=88...(8) HA VAL 5 - QG1 VAL 83 far 0 88 0 - 8.5-9.9 Violated in 2 structures by 0.01 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 99 3.4-3.9 7343/7355=81...(8) HA LEU 55 - QG1 VAL 83 far 0 59 0 - 7.5-8.6 HA ARG 79 - QG1 VAL 83 far 0 100 0 - 9.3-10.1 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 2 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...(10) HA ILE 8 - QG1 VAL 83 far 0 96 0 - 8.9-9.6 Violated in 15 structures by 0.04 A. Peak 9804 from cnoeabs.peaks (0.80, 2.11, 35.30 ppm; 4.11 A): 1 out of 5 assignments used, quality = 0.54: QD1 LEU 57 + HB VAL 83 OK 54 84 65 100 3.6-5.8 9808/2.1=63, 3.1/9820=45...(24) QD2 LEU 57 - HB VAL 83 far 0 100 0 - 6.1-7.2 QD1 ILE 93 - HB VAL 83 far 0 73 0 - 6.9-8.1 QG2 ILE 7 - HB VAL 83 far 0 100 0 - 8.6-9.6 QG2 ILE 8 - HB VAL 83 far 0 96 0 - 9.7-10.6 Violated in 11 structures by 0.54 A. Peak 9805 from cnoeabs.peaks (0.69, 2.11, 35.30 ppm; 3.95 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 14 + HB VAL 83 OK 98 98 100 100 3.8-4.6 10402/2.1=86, ~10403=52...(15) QD2 LEU 14 - HB VAL 83 far 14 93 15 - 4.6-5.7 QG2 VAL 58 - HB VAL 83 far 0 97 0 - 6.3-6.9 QG1 VAL 58 - HB VAL 83 far 0 75 0 - 7.9-8.5 QG1 VAL 5 - HB VAL 83 far 0 63 0 - 8.1-9.6 QD1 LEU 29 - HB VAL 83 far 0 65 0 - 9.0-10.1 QD1 ILE 8 - HB VAL 83 far 0 92 0 - 9.2-11.2 Violated in 18 structures by 0.29 A. Peak 9806 from cnoeabs.peaks (0.70, 0.96, 21.21 ppm; 2.96 A): 2 out of 10 assignments used, quality = 1.00: QD2 LEU 14 + QG2 VAL 83 OK 97 99 100 98 2.5-3.2 10403=75, 2.1/10402=57...(22) QD1 LEU 14 + QG2 VAL 83 OK 88 90 100 98 1.9-3.0 10402=74, 2.1/10403=53...(20) QG2 VAL 58 - QG2 VAL 83 far 0 87 0 - 4.1-4.8 QG1 VAL 58 - QG2 VAL 83 far 0 91 0 - 5.0-5.7 QG1 VAL 5 - QG2 VAL 83 far 0 82 0 - 5.7-6.9 QD1 ILE 8 - QG2 VAL 83 far 0 99 0 - 6.1-7.8 QD1 ILE 56 - QG2 VAL 83 far 0 99 0 - 8.1-8.7 HG13 ILE 56 - QG2 VAL 83 far 0 96 0 - 8.9-9.9 QD2 LEU 6 - QG2 VAL 83 far 0 98 0 - 9.0-9.9 QG2 VAL 78 - QG2 VAL 83 far 0 90 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 9807 from cnoeabs.peaks (0.69, 1.01, 23.61 ppm; 3.32 A): 0 out of 11 assignments used, quality = 0.00: QD1 LEU 14 - QG1 VAL 83 far 5 97 5 - 4.2-5.3 QG2 VAL 58 - QG1 VAL 83 far 0 96 0 - 4.5-5.1 QD2 LEU 14 - QG1 VAL 83 far 0 95 0 - 4.5-5.2 QG1 VAL 5 - QG1 VAL 83 far 0 68 0 - 5.6-6.9 QG1 VAL 58 - QG1 VAL 83 far 0 79 0 - 5.7-6.3 QD1 ILE 8 - QG1 VAL 83 far 0 94 0 - 6.8-8.6 QD1 LEU 29 - QG1 VAL 83 far 0 61 0 - 6.8-7.6 QD1 ILE 56 - QG1 VAL 83 far 0 96 0 - 7.9-8.8 QG2 VAL 78 - QG1 VAL 83 far 0 77 0 - 8.5-11.2 HG13 ILE 56 - QG1 VAL 83 far 0 88 0 - 8.9-9.9 QD2 LEU 6 - QG1 VAL 83 far 0 100 0 - 9.4-10.4 Violated in 20 structures by 0.49 A. Peak 9808 from cnoeabs.peaks (0.80, 1.01, 23.61 ppm; 3.03 A): 2 out of 11 assignments used, quality = 0.90: QD1 LEU 57 + QG1 VAL 83 OK 83 84 100 99 1.8-3.1 9804/2.1=37, 3.1/9809=34...(28) QD2 LEU 57 + QG1 VAL 83 OK 39 100 40 97 3.5-4.8 3.1/9809=34, 2.1/9811=31...(23) QD1 ILE 93 - QG1 VAL 83 far 0 73 0 - 4.8-5.8 QG2 ILE 7 - QG1 VAL 83 far 0 100 0 - 6.9-7.6 QG2 ILE 8 - QG1 VAL 83 far 0 96 0 - 7.9-8.6 QG2 ILE 15 - QG1 VAL 83 far 0 99 0 - 8.3-9.5 QD2 LEU 38 - QG1 VAL 83 far 0 91 0 - 8.6-10.7 QD1 LEU 27 - QG1 VAL 83 far 0 71 0 - 9.1-10.0 QD1 LEU 6 - QG1 VAL 83 far 0 75 0 - 9.3-10.3 QG2 VAL 32 - QG1 VAL 83 far 0 77 0 - 9.4-10.5 QD2 LEU 103 - QG1 VAL 83 far 0 85 0 - 9.7-16.3 Violated in 1 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 2.7-4.2 9819/2.1=74, 3.0/9811=48...(21) HB2 LEU 6 - QG1 VAL 83 far 0 99 0 - 9.1-10.5 HB2 LEU 29 - QG1 VAL 83 far 0 81 0 - 10.0-10.9 Violated in 3 structures by 0.03 A. Peak 9810 from cnoeabs.peaks (1.33, 1.01, 23.61 ppm; 3.35 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 89 + QG1 VAL 83 OK 100 100 100 100 2.3-3.7 9931/2.1=67, 2.1/9824=64...(24) HB2 LYS 82 - QG1 VAL 83 far 0 99 0 - 5.2-5.8 HG LEU 14 - QG1 VAL 83 far 0 95 0 - 5.6-6.4 QB ALA 67 - QG1 VAL 83 far 0 100 0 - 7.3-8.4 HG2 LYS 94 - QG1 VAL 83 far 0 100 0 - 8.2-11.4 HG12 ILE 8 - QG1 VAL 83 far 0 77 0 - 8.8-10.1 HG3 LYS 68 - QG1 VAL 83 far 0 96 0 - 9.5-12.8 QB ALA 25 - QG1 VAL 83 far 0 100 0 - 9.7-10.8 Violated in 7 structures by 0.06 A. Peak 9811 from cnoeabs.peaks (1.49, 1.01, 23.61 ppm; 4.44 A): 1 out of 8 assignments used, quality = 0.98: HG LEU 57 + QG1 VAL 83 OK 98 98 100 100 3.1-4.1 9817/2.1=76, 3.0/9809=73...(19) HB2 ARG 91 - QG1 VAL 83 far 10 100 10 - 5.2-7.4 HG3 ARG 91 - QG1 VAL 83 far 6 63 10 - 4.9-7.4 HD2 LYS 82 - QG1 VAL 83 far 0 77 0 - 6.4-7.0 HB3 LEU 64 - QG1 VAL 83 far 0 100 0 - 6.5-7.4 HB ILE 7 - QG1 VAL 83 far 0 71 0 - 6.8-7.7 HB2 LEU 14 - QG1 VAL 83 far 0 71 0 - 7.3-8.1 HG LEU 64 - QG1 VAL 83 far 0 99 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 9812 from cnoeabs.peaks (1.68, 1.01, 23.61 ppm; 5.12 A): 1 out of 8 assignments used, quality = 0.29: HB3 ARG 91 + QG1 VAL 83 OK 29 100 50 57 5.0-7.1 4.3/10993=33...(5) HD3 LYS 90 - QG1 VAL 83 far 0 95 0 - 7.0-8.6 HG2 PRO 86 - QG1 VAL 83 far 0 98 0 - 7.8-8.8 HB3 ARG 79 - QG1 VAL 83 far 0 85 0 - 7.9-9.7 HB3 LEU 6 - QG1 VAL 83 far 0 75 0 - 9.0-10.5 HG12 ILE 15 - QG1 VAL 83 far 0 97 0 - 9.1-11.0 HD3 LYS 68 - QG1 VAL 83 far 0 81 0 - 9.4-12.2 HG2 LYS 68 - QG1 VAL 83 far 0 63 0 - 9.7-11.8 Violated in 19 structures by 0.91 A. Peak 9813 from cnoeabs.peaks (1.81, 1.01, 23.61 ppm; 3.64 A): 1 out of 7 assignments used, quality = 1.00: HB2 GLU 88 + QG1 VAL 83 OK 100 100 100 100 2.3-3.0 9822/2.1=62, 3.0/9814=42...(29) HB3 LEU 57 - QG1 VAL 83 poor 19 96 20 - 4.2-5.2 HB ILE 93 - QG1 VAL 83 far 0 100 0 - 6.7-8.5 HB3 LYS 90 - QG1 VAL 83 far 0 84 0 - 6.8-8.2 HB2 LYS 90 - QG1 VAL 83 far 0 100 0 - 7.0-8.5 HB3 GLU 63 - QG1 VAL 83 far 0 77 0 - 8.2-8.8 HB2 GLU 104 - QG1 VAL 83 far 0 100 0 - 8.5-20.2 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 2.5-4.6 3.0/9813=77, 9815/2.1=75...(29) HB ILE 8 - QG1 VAL 83 far 0 81 0 - 7.5-8.4 HB3 LEU 14 - QG1 VAL 83 far 0 91 0 - 7.6-8.2 HB2 GLU 17 - QG1 VAL 83 far 0 94 0 - 7.8-9.4 HB2 LYS 94 - QG1 VAL 83 far 0 100 0 - 9.0-11.1 Violated in 7 structures by 0.02 A. Peak 9815 from cnoeabs.peaks (1.93, 0.96, 21.21 ppm; 4.41 A): 1 out of 10 assignments used, quality = 0.80: HG3 GLU 88 + QG2 VAL 83 OK 80 94 85 100 4.1-5.7 9814/2.1=72...(29) HB3 LEU 14 - QG2 VAL 83 far 13 88 15 - 5.2-6.0 HB ILE 8 - QG2 VAL 83 far 0 77 0 - 6.1-7.1 HB2 GLU 17 - QG2 VAL 83 far 0 96 0 - 6.9-8.4 HB2 LYS 13 - QG2 VAL 83 far 0 99 0 - 8.2-9.9 HB3 LYS 13 - QG2 VAL 83 far 0 99 0 - 8.6-10.0 HB VAL 32 - QG2 VAL 83 far 0 96 0 - 9.0-10.1 HB3 ARG 19 - QG2 VAL 83 far 0 100 0 - 9.6-11.4 HB2 ARG 19 - QG2 VAL 83 far 0 71 0 - 9.7-12.1 HB2 LYS 94 - QG2 VAL 83 far 0 100 0 - 9.9-12.4 Violated in 18 structures by 0.54 A. Peak 9816 from cnoeabs.peaks (1.80, 0.96, 21.21 ppm; 3.76 A): 2 out of 8 assignments used, quality = 1.00: HB2 GLU 88 + QG2 VAL 83 OK 100 100 100 100 2.9-3.9 9813/2.1=71, 9822/2.1=65...(30) HB3 LEU 57 + QG2 VAL 83 OK 89 90 100 100 3.6-4.5 1.8/9819=80, 3.0/9817=47...(23) HB3 LYS 82 - QG2 VAL 83 far 0 61 0 - 5.3-5.8 HB2 LYS 90 - QG2 VAL 83 far 0 99 0 - 6.6-8.9 HB3 LYS 90 - QG2 VAL 83 far 0 73 0 - 6.9-8.7 HB3 GLU 63 - QG2 VAL 83 far 0 87 0 - 7.0-7.8 HB ILE 56 - QG2 VAL 83 far 0 59 0 - 7.5-8.2 HB ILE 93 - QG2 VAL 83 far 0 100 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 9817 from cnoeabs.peaks (1.48, 0.96, 21.21 ppm; 4.32 A): 1 out of 8 assignments used, quality = 0.94: HG LEU 57 + QG2 VAL 83 OK 94 94 100 100 3.4-4.1 3.0/9819=76, 9811/2.1=70...(19) HB2 LEU 14 - QG2 VAL 83 far 9 59 15 - 4.9-5.9 HD2 LYS 82 - QG2 VAL 83 far 0 87 0 - 5.6-6.3 HB ILE 7 - QG2 VAL 83 far 0 59 0 - 5.7-6.6 HG3 ARG 91 - QG2 VAL 83 far 0 75 0 - 6.5-9.0 HB3 LEU 64 - QG2 VAL 83 far 0 100 0 - 6.6-7.6 HB2 ARG 91 - QG2 VAL 83 far 0 100 0 - 6.7-9.3 HG LEU 64 - QG2 VAL 83 far 0 100 0 - 9.0-10.1 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 6 assignments used, quality = 0.99: QB ALA 89 + QG2 VAL 83 OK 98 98 100 100 1.9-3.0 9931=85, 9810/2.1=58...(25) HG LEU 14 + QG2 VAL 83 OK 54 88 65 95 3.5-4.5 2.1/10402=63...(11) HB2 LYS 82 - QG2 VAL 83 far 0 96 0 - 5.3-5.9 QB ALA 67 - QG2 VAL 83 far 0 99 0 - 7.3-8.2 HG12 ILE 8 - QG2 VAL 83 far 0 65 0 - 7.5-8.8 HG2 LYS 94 - QG2 VAL 83 far 0 98 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 9819 from cnoeabs.peaks (1.20, 0.96, 21.21 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 57 + QG2 VAL 83 OK 100 100 100 100 2.2-3.0 9354=71, 9809/2.1=56...(23) QB ALA 18 - QG2 VAL 83 far 0 81 0 - 4.7-5.4 HB2 LEU 6 - QG2 VAL 83 far 0 92 0 - 8.8-9.9 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 = 0.90: HB2 LEU 57 + HB VAL 83 OK 90 100 90 100 4.9-6.0 9819/2.1=98, 9809/2.1=90...(19) QB ALA 18 - HB VAL 83 far 0 81 0 - 6.9-7.9 Violated in 18 structures by 0.51 A. Peak 9821 from cnoeabs.peaks (1.34, 2.11, 35.30 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 89 + HB VAL 83 OK 100 100 100 100 3.4-4.5 9931/2.1=89, 9810/2.1=87...(19) HG LEU 14 - HB VAL 83 far 0 99 0 - 5.8-6.6 HB2 LYS 82 - HB VAL 83 far 0 100 0 - 7.5-7.7 Violated in 7 structures by 0.06 A. Peak 9822 from cnoeabs.peaks (1.81, 2.11, 35.30 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 88 + HB VAL 83 OK 100 100 100 100 1.9-2.6 9813/2.1=75...(27) HB3 LEU 57 - HB VAL 83 far 0 96 0 - 6.5-7.6 HB2 LYS 90 - HB VAL 83 far 0 100 0 - 8.3-10.3 HB3 LYS 90 - HB VAL 83 far 0 84 0 - 8.4-10.2 HB ILE 93 - HB VAL 83 far 0 100 0 - 9.5-11.3 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 2 assignments used, quality = 0.98: HA PRO 86 + QG1 VAL 83 OK 98 99 100 98 5.1-5.9 10971/9810=86...(6) HA GLU 17 - QG1 VAL 83 far 0 79 0 - 9.5-11.1 Violated in 5 structures by 0.03 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 2.0-3.0 2.1/9810=67, 9928=62...(27) HB2 SER 85 - QG1 VAL 83 far 0 100 0 - 5.5-6.0 HB3 SER 9 - QG1 VAL 83 far 0 77 0 - 7.1-9.0 HA ARG 91 - QG1 VAL 83 far 0 99 0 - 7.1-7.8 HB2 SER 102 - QG1 VAL 83 far 0 100 0 - 8.3-17.6 HA LYS 94 - QG1 VAL 83 far 0 77 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9825 from cnoeabs.peaks (3.89, 0.96, 21.21 ppm; 3.74 A): 1 out of 6 assignments used, quality = 0.98: HA ALA 89 + QG2 VAL 83 OK 98 99 100 100 2.8-3.7 2.1/9931=78, 9824/2.1=76...(27) HB2 SER 85 - QG2 VAL 83 far 0 98 0 - 4.7-5.6 HB3 SER 9 - QG2 VAL 83 far 0 65 0 - 4.8-6.4 HA ARG 91 - QG2 VAL 83 far 0 100 0 - 8.3-9.3 HA LYS 12 - QG2 VAL 83 far 0 68 0 - 9.3-10.1 HA GLU 63 - QG2 VAL 83 far 0 87 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 9826 from cnoeabs.peaks (3.67, 0.96, 21.21 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 88 + QG2 VAL 83 OK 98 98 100 100 5.1-6.0 3.6/9780=81, 4.2/9815=68...(26) HA LEU 14 + QG2 VAL 83 OK 78 99 80 99 5.4-6.5 4.0/10402=85...(5) HA LYS 90 - QG2 VAL 83 far 0 100 0 - 6.4-7.6 HB THR 80 - QG2 VAL 83 far 0 100 0 - 8.8-9.7 Violated in 3 structures by 0.01 A. Peak 9827 from cnoeabs.peaks (2.97, 0.96, 21.21 ppm; 6.37 A): 2 out of 5 assignments used, quality = 0.82: HB2 SER 9 + QG2 VAL 83 OK 77 85 100 90 4.9-6.5 8414/10403=50...(5) HB3 ASP 11 + QG2 VAL 83 OK 24 81 45 66 7.0-8.2 8416/10402=41...(4) HE3 LYS 90 - QG2 VAL 83 poor 15 77 20 - 6.2-9.5 HG2 MET 21 - QG2 VAL 83 far 0 84 0 - 8.1-10.4 HB2 ASN 10 - QG2 VAL 83 far 0 61 0 - 9.3-10.3 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 3.7-5.5 3.0/10728=85, 9406=72...(10) HA GLU 17 - QG2 VAL 83 far 0 73 0 - 8.4-9.8 HA GLU 16 - QG2 VAL 83 far 0 87 0 - 9.6-10.5 Violated in 2 structures by 0.01 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 4.0-4.9 9824/2.1=90, 9825/2.1=85...(18) HB2 SER 85 + HB VAL 83 OK 88 98 100 90 4.4-5.0 4.0/9774=51, 9870=37...(7) HB3 SER 9 - HB VAL 83 far 0 65 0 - 7.9-9.8 HA ARG 91 - HB VAL 83 far 0 100 0 - 9.3-10.3 Violated in 1 structures by 0.00 A. Peak 9835 from cnoeabs.peaks (0.68, 4.44, 70.10 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.39: QD1 LEU 14 + HB THR 84 OK 39 100 40 98 5.7-7.2 8425/3.0=78...(6) QG2 VAL 58 - HB THR 84 far 0 100 0 - 6.8-9.0 QD2 LEU 14 - HB THR 84 far 0 82 0 - 7.2-8.7 QG1 VAL 58 - HB THR 84 far 0 59 0 - 9.2-11.1 Violated in 20 structures by 1.08 A. Peak 9836 from cnoeabs.peaks (0.65, 4.58, 60.96 ppm; 5.10 A): 1 out of 3 assignments used, quality = 0.81: QD1 LEU 14 + HA THR 84 OK 81 82 100 99 4.2-5.5 8425=74, 10413/3.6=57...(7) QG2 VAL 58 - HA THR 84 far 0 85 0 - 6.3-7.1 QD1 ILE 7 - HA THR 84 far 0 77 0 - 7.3-8.9 Violated in 2 structures by 0.03 A. Peak 9838 from cnoeabs.peaks (1.57, 1.24, 21.00 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.52: HD3 LYS 82 + QG2 THR 84 OK 52 100 55 94 3.0-8.3 3.0/9840=69, 3.0/9841=67 HG3 LYS 90 - QG2 THR 84 far 0 96 0 - 9.1-13.4 Violated in 15 structures by 0.99 A. Peak 9839 from cnoeabs.peaks (2.08, 1.24, 21.00 ppm; 5.05 A): 2 out of 6 assignments used, quality = 0.78: HB VAL 83 + QG2 THR 84 OK 72 73 100 98 3.9-5.3 4.4/7365=71...(7) HB3 GLU 88 + QG2 THR 84 OK 20 100 30 68 4.0-7.1 10299/4.3=46...(5) HB2 LEU 64 - QG2 THR 84 far 0 73 0 - 7.4-10.7 HB2 PRO 86 - QG2 THR 84 far 0 59 0 - 7.7-10.0 HB3 PRO 86 - QG2 THR 84 far 0 87 0 - 7.9-10.1 HB3 GLU 62 - QG2 THR 84 far 0 99 0 - 9.5-14.1 Violated in 7 structures by 0.01 A. Peak 9840 from cnoeabs.peaks (2.72, 1.24, 21.00 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.48: HE2 LYS 82 + QG2 THR 84 OK 48 93 55 93 2.3-8.5 1.8/9841=76, 3.0/9838=60 HB3 ASP 61 - QG2 THR 84 far 0 98 0 - 6.1-10.9 Violated in 14 structures by 1.05 A. Peak 9841 from cnoeabs.peaks (2.87, 1.24, 21.00 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.59: HE3 LYS 82 + QG2 THR 84 OK 59 96 65 95 2.5-8.2 1.8/9840=80, 3.0/9838=61...(4) HB2 ASN 60 - QG2 THR 84 far 0 90 0 - 6.9-10.9 Violated in 10 structures by 0.86 A. Peak 9843 from cnoeabs.peaks (5.05, 1.24, 21.00 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.42: HA SER 59 + QG2 THR 84 OK 42 99 80 53 3.6-6.6 10728/10948=43, ~9404=9...(4) Violated in 6 structures by 0.32 A. Peak 9845 from cnoeabs.peaks (7.57, 3.90, 64.38 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: H GLU 88 + HB2 SER 85 OK 100 100 100 100 2.6-3.8 8599=99, 9847/1.8=77...(17) H LEU 14 - HB3 SER 9 poor 19 65 30 - 4.8-6.7 HD22 ASN 10 - HB3 SER 9 far 0 38 0 - 6.3-9.0 H LEU 14 - HB2 SER 85 far 0 96 0 - 9.3-10.8 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 2 assignments used, quality = 1.00: H ASP 87 + HB2 SER 85 OK 100 100 100 100 2.7-4.3 9849/1.8=87...(12) H TRP 92 - HB2 SER 85 far 0 100 0 - 8.5-9.6 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 3.0-4.6 8599/1.8=93...(17) H LEU 14 - HB3 SER 85 far 0 96 0 - 8.6-9.8 Violated in 0 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...(10) H ARG 91 - HB3 SER 85 far 0 59 0 - 7.4-9.6 Violated in 4 structures by 0.04 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 99 100 100 100 2.3-3.7 9846/1.8=67, 9898/3.0=55...(14) H TRP 92 - HB3 SER 85 far 0 100 0 - 8.9-10.7 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 4.8-5.1 4.8=100 H SER 85 + HD2 PRO 86 OK 100 100 100 100 4.8-4.8 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): 3 out of 4 assignments used, quality = 1.00: H GLU 88 + HD2 PRO 86 OK 100 100 100 100 4.3-4.8 8599/4.9=77, 8600/3.8=74...(15) H GLU 88 + HD3 PRO 86 OK 100 100 100 100 5.3-5.8 8599/4.9=77, 8600/3.8=74...(14) H LEU 14 + HD3 PRO 86 OK 93 93 100 100 5.4-6.6 4.8/12018=71...(21) H LEU 14 - HD2 PRO 86 far 0 93 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 9852 from cnoeabs.peaks (8.04, 4.09, 65.04 ppm; 5.08 A): 2 out of 5 assignments used, quality = 1.00: H LYS 90 + HA PRO 86 OK 99 99 100 100 3.8-5.0 9950=98, 7415/10971=89...(13) H GLU 17 + HA PRO 86 OK 22 85 40 65 5.5-7.4 6245/8422=28...(8) H ILE 15 - HA PRO 86 far 3 65 5 - 5.9-6.9 H GLU 16 - HA PRO 86 far 0 90 0 - 6.8-8.7 H LYS 13 - HA PRO 86 far 0 63 0 - 7.9-8.8 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 5.3-6.2 3.0/9885=88...(17) H GLU 88 + HA PRO 86 OK 96 96 100 100 3.9-4.6 7386/3.5=87...(16) 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 3.2-3.7 9923=80, 7407/10971=80...(15) HE3 TRP 92 - HA PRO 86 far 0 100 0 - 9.3-12.2 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 - 9.0-9.8 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 4.2-6.5 ~8422=70, ~9885=70...(19) H GLU 88 + HB3 PRO 86 OK 96 96 100 100 4.9-6.1 3.6/10967=90...(16) H LEU 14 + HB2 PRO 86 OK 91 91 100 100 4.0-6.6 ~8422=70, ~9885=70...(22) H GLU 88 + HB2 PRO 86 OK 85 85 100 100 5.0-6.1 7386/3.9=90, 6372/2.3=64...(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 5.0-5.7 9923/2.3=100...(15) H ALA 89 + HB2 PRO 86 OK 91 91 100 100 5.3-5.9 9923/2.3=100, ~10971=86...(15) 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 4.9-5.7 10956/2.3=84...(15) HA SER 85 + HB2 PRO 86 OK 91 91 100 100 4.8-5.6 10956/2.3=84...(15) Violated in 0 structures by 0.00 A. Peak 9866 from cnoeabs.peaks (1.92, 5.14, 55.20 ppm; 5.07 A): 1 out of 5 assignments used, quality = 0.87: HG3 GLU 88 + HA SER 85 OK 87 92 95 100 4.0-8.1 10302/3.0=52, ~10301=51...(17) HB3 LEU 14 - HA SER 85 far 5 91 5 - 5.6-7.4 HB2 LYS 13 - HA SER 85 far 0 100 0 - 7.3-8.8 HB3 LYS 13 - HA SER 85 far 0 99 0 - 7.4-9.5 HB2 GLU 17 - HA SER 85 far 0 94 0 - 8.2-9.9 Violated in 15 structures by 0.45 A. Peak 9867 from cnoeabs.peaks (0.69, 5.14, 55.20 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 14 + HA SER 85 OK 99 99 100 100 2.6-3.6 8424=98, 10413/3.0=63...(17) QD2 LEU 14 + HA SER 85 OK 22 91 25 99 4.9-6.0 2.1/8424=73...(16) QG2 VAL 58 - HA SER 85 far 0 98 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 9868 from cnoeabs.peaks (2.48, 3.90, 64.38 ppm; 5.60 A): 2 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + HB2 SER 85 OK 97 98 100 100 3.1-5.5 4.0/9846=73, 4.6/8599=72...(11) HB3 ASP 87 + HB2 SER 85 OK 97 98 100 99 3.5-5.8 4.0/9846=73, 4.6/8599=72...(10) HG3 GLU 63 - HB3 SER 9 far 7 47 15 - 6.0-9.5 HD2 ARG 91 - HB2 SER 85 far 0 100 0 - 7.5-10.7 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 5 assignments used, quality = 0.93: HG2 GLU 88 + HB2 SER 85 OK 78 79 100 99 2.8-5.6 10305=72, 4.9/8599=60...(8) HG3 PRO 86 + HB2 SER 85 OK 68 85 80 100 4.2-6.2 9873/1.8=83, ~9875=61...(14) HB2 GLU 63 - HB3 SER 9 far 0 52 0 - 7.1-9.1 HG3 PRO 86 - HB3 SER 9 far 0 55 0 - 8.7-11.2 HB3 GLU 16 - HB3 SER 9 far 0 71 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 9870 from cnoeabs.peaks (2.09, 3.90, 64.38 ppm; 4.59 A): 2 out of 8 assignments used, quality = 0.96: HB VAL 83 + HB2 SER 85 OK 84 92 100 91 4.4-5.0 9774/4.0=51, 9829=40...(6) HB3 GLU 88 + HB2 SER 85 OK 75 96 80 97 3.4-5.7 3.9/8599=60...(10) HB2 PRO 86 - HB2 SER 85 far 0 82 0 - 5.5-6.7 HB3 PRO 86 - HB2 SER 85 far 0 98 0 - 5.6-6.8 HB2 PRO 86 - HB3 SER 9 far 0 52 0 - 7.2-10.2 HB VAL 83 - HB3 SER 9 far 0 61 0 - 7.9-9.8 HB3 PRO 86 - HB3 SER 9 far 0 68 0 - 8.2-9.9 HB2 GLU 16 - HB3 SER 9 far 0 64 0 - 8.7-12.0 Violated in 1 structures by 0.00 A. Peak 9871 from cnoeabs.peaks (1.69, 3.90, 64.38 ppm; 5.91 A): 2 out of 12 assignments used, quality = 1.00: HG2 PRO 86 + HB2 SER 85 OK 100 100 100 100 4.4-6.3 9875/1.8=90...(15) HG12 ILE 15 + HB3 SER 9 OK 71 71 100 100 3.9-6.2 ~8444=60, 8320/1.8=56...(13) HD3 LYS 90 - HB2 SER 85 far 5 99 5 - 6.8-10.7 HD2 LYS 12 - HB3 SER 9 far 3 68 5 - 6.3-11.4 HB3 ARG 91 - HB2 SER 85 far 0 100 0 - 7.2-10.1 HD3 LYS 12 - HB3 SER 9 far 0 68 0 - 7.3-11.5 HD2 LYS 33 - HB3 SER 9 far 0 40 0 - 8.1-12.2 HG2 PRO 86 - HB3 SER 9 far 0 71 0 - 9.0-10.8 HD3 LYS 33 - HB3 SER 9 far 0 40 0 - 9.2-11.9 HD2 LYS 13 - HB3 SER 9 far 0 68 0 - 9.6-12.1 HD3 LYS 13 - HB3 SER 9 far 0 66 0 - 9.6-12.5 HD2 ARG 81 - HB2 SER 85 far 0 63 0 - 10.0-14.8 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 = 0.98: HB2 ASP 87 + HB3 SER 85 OK 94 98 100 96 3.0-5.7 4.0/9849=63, 4.6/9847=49...(10) HB3 ASP 87 + HB3 SER 85 OK 74 98 80 95 4.5-6.1 4.0/9849=63, 4.6/9847=49...(8) HD2 ARG 91 - HB3 SER 85 far 0 100 0 - 7.8-11.7 Violated in 1 structures by 0.01 A. Peak 9873 from cnoeabs.peaks (2.18, 4.19, 64.38 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.98: HG3 PRO 86 + HB3 SER 85 OK 98 98 100 100 3.7-4.6 1.8/9875=71, 9891/3.0=62...(16) Violated in 0 structures by 0.00 A. Peak 9874 from cnoeabs.peaks (2.10, 4.19, 64.38 ppm; 4.76 A): 4 out of 5 assignments used, quality = 0.98: HB2 PRO 86 + HB3 SER 85 OK 72 96 75 100 5.2-6.0 2.3/9873=70, 3.9/9849=62...(17) HB3 PRO 86 + HB3 SER 85 OK 70 100 70 100 5.2-5.9 2.3/9873=70, 3.9/9849=62...(17) HB VAL 83 + HB3 SER 85 OK 59 99 65 92 5.3-6.2 9774/4.0=61...(4) HG2 GLU 88 + HB3 SER 85 OK 36 63 60 94 3.9-6.7 4.9/9847=44, ~9866=44...(8) HB3 GLU 88 - HB3 SER 85 far 8 82 10 - 4.2-7.3 Violated in 1 structures by 0.00 A. Peak 9875 from cnoeabs.peaks (1.70, 4.19, 64.38 ppm; 5.29 A): 1 out of 6 assignments used, quality = 0.99: HG2 PRO 86 + HB3 SER 85 OK 99 99 100 100 3.6-4.8 1.8/9873=89...(15) HD2 LYS 90 - HB3 SER 85 far 0 59 0 - 6.4-10.0 HD3 LYS 90 - HB3 SER 85 far 0 100 0 - 6.7-10.2 HB3 ARG 91 - HB3 SER 85 far 0 94 0 - 7.4-10.4 HD2 LYS 13 - HB3 SER 85 far 0 100 0 - 9.1-12.7 HD3 LYS 13 - HB3 SER 85 far 0 100 0 - 9.9-13.5 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 2 assignments used, quality = 1.00: QD1 LEU 14 + HB3 SER 85 OK 100 100 100 100 4.2-5.0 8424/3.0=84...(15) QD2 LEU 14 - HB3 SER 85 far 0 71 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 9877 from cnoeabs.peaks (1.53, 3.98, 50.67 ppm; 5.34 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 14 + HD3 PRO 86 OK 100 100 100 100 3.5-5.7 12221/2.3=80...(34) HB2 LEU 14 + HD2 PRO 86 OK 90 100 90 100 5.3-7.3 12221/2.3=80...(34) HG3 LYS 13 - HD3 PRO 86 far 0 79 0 - 7.5-9.3 HG3 LYS 13 - HD2 PRO 86 far 0 79 0 - 8.7-10.3 HG LEU 57 - HD3 PRO 86 far 0 85 0 - 10.0-11.2 Violated in 1 structures by 0.01 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 5.3-6.0 10971/3.6=90...(10) QB ALA 89 + HD2 PRO 86 OK 99 100 100 99 5.7-6.2 10971/3.6=90...(9) HG LEU 14 + HD3 PRO 86 OK 99 99 100 100 3.4-5.5 2.1/12018=91...(27) HG LEU 14 + HD2 PRO 86 OK 79 98 80 100 4.7-6.6 8407/3.6=84, ~12018=71...(27) 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 2 assignments used, quality = 1.00: QD1 LEU 14 + HD3 PRO 86 OK 96 96 100 100 2.0-3.1 2.1/12018=59...(33) QD1 LEU 14 + HD2 PRO 86 OK 96 96 100 100 3.3-4.4 8411/3.6=59, 12017=48...(32) 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 2.4-3.1 10971=91, 7407/9854=39...(15) HG LEU 14 + HA PRO 86 OK 98 99 100 99 1.9-3.0 8407=67, 2.1/8411=63...(20) 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 6 assignments used, quality = 1.00: QD1 LEU 14 + HA PRO 86 OK 100 100 100 100 1.9-3.5 8411=100, 2.1/8407=64...(25) QD2 LEU 14 + HA PRO 86 OK 82 82 100 100 2.9-4.3 2.1/8411=73, 2.1/8407=64...(24) QD1 LEU 29 - HA PRO 86 far 0 81 0 - 7.3-8.7 QD2 LEU 29 - HA PRO 86 far 0 59 0 - 8.4-9.9 QG2 VAL 58 - HA PRO 86 far 0 100 0 - 9.4-10.0 QG1 VAL 58 - HA PRO 86 far 0 59 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9882 from cnoeabs.peaks (1.32, 2.12, 31.71 ppm; 4.74 A): 5 out of 6 assignments used, quality = 1.00: QB ALA 89 + HB2 PRO 86 OK 93 94 100 99 4.2-4.9 10971/2.3=87, ~9923=48...(15) QB ALA 89 + HB3 PRO 86 OK 82 82 100 100 4.1-5.0 10971/2.3=87...(15) HG LEU 14 + HB2 PRO 86 OK 79 79 100 100 2.4-5.0 ~8411=65, 8407/2.3=64...(36) HG LEU 14 + HB3 PRO 86 OK 67 67 100 100 3.3-5.0 ~8411=65, 8407/2.3=64...(35) HG2 LYS 90 + HB3 PRO 86 OK 47 58 90 89 3.9-6.1 4.9/9944=37, 11077=33...(10) HG2 LYS 90 - HB2 PRO 86 far 10 70 15 - 4.6-6.6 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 2.1-4.2 8411/2.3=93, 9889/2.3=64...(42) QD1 LEU 14 + HB3 PRO 86 OK 90 90 100 100 2.5-5.1 8411/2.3=93, 9889/2.3=64...(40) QD2 LEU 14 + HB2 PRO 86 OK 52 57 90 100 3.8-6.2 ~8411=64, ~8407=60...(41) QD2 LEU 14 + HB3 PRO 86 OK 36 48 75 100 4.6-6.1 ~8411=64, ~8407=60...(39) QD1 LEU 29 - HB2 PRO 86 far 0 96 0 - 8.0-9.5 QD1 LEU 29 - HB3 PRO 86 far 0 85 0 - 8.2-9.4 QD2 LEU 29 - HB2 PRO 86 far 0 84 0 - 8.7-10.4 QD2 LEU 29 - HB3 PRO 86 far 0 72 0 - 9.1-10.6 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 = 0.97: HA LEU 14 + HD3 PRO 86 OK 95 100 95 100 4.0-5.7 9887/2.3=72, 8422/3.6=67...(23) HA LEU 14 + HD2 PRO 86 OK 35 100 35 100 5.4-6.9 9887/2.3=72, 8422/3.6=67...(21) HA GLU 88 - HD2 PRO 86 far 0 93 0 - 7.1-7.6 HA GLU 88 - HD3 PRO 86 far 0 93 0 - 8.2-8.5 HA LYS 90 - HD2 PRO 86 far 0 99 0 - 9.4-10.4 HA LYS 90 - HD3 PRO 86 far 0 99 0 - 9.4-10.7 Violated in 3 structures by 0.04 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 2.7-3.9 8422=92, 4.0/8411=57...(21) HA LYS 90 - HA PRO 86 far 0 100 0 - 6.0-7.4 HA GLU 88 - HA PRO 86 far 0 100 0 - 6.2-6.7 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 1.9-4.0 9885/2.3=70, 9887/2.3=57...(31) HA LEU 14 + HB3 PRO 86 OK 89 89 100 100 2.0-3.9 9885/2.3=70, 9887/2.3=57...(32) HA LYS 90 - HB3 PRO 86 far 0 92 0 - 6.3-8.5 HA LYS 90 - HB2 PRO 86 far 0 100 0 - 6.7-8.8 HA GLU 88 - HB3 PRO 86 far 0 87 0 - 7.4-8.5 HA GLU 88 - HB2 PRO 86 far 0 98 0 - 7.5-8.5 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 3.7-5.1 9890/1.8=70, 9885/3.8=64...(21) HA GLU 88 - HG2 PRO 86 far 0 98 0 - 7.4-9.1 HA LYS 90 - HG2 PRO 86 far 0 100 0 - 8.5-10.2 HA GLU 37 - HG LEU 70 far 0 42 0 - 8.6-11.7 HB THR 80 - HG LEU 70 far 0 74 0 - 9.3-11.0 HA LEU 42 - HG LEU 70 far 0 48 0 - 9.4-11.1 Violated in 5 structures by 0.05 A. Peak 9888 from cnoeabs.peaks (1.47, 2.19, 27.30 ppm; 5.03 A): 1 out of 5 assignments used, quality = 0.42: HG13 ILE 76 + HB3 GLU 75 OK 42 57 100 75 4.1-5.1 7257/4.1=33, 1.8/9663=29...(8) HG3 LYS 13 - HG3 PRO 86 far 0 84 0 - 6.2-9.9 HG2 LYS 73 - HB3 GLU 75 far 0 79 0 - 7.3-10.0 HG3 ARG 91 - HG3 PRO 86 far 0 93 0 - 7.9-13.1 HB2 ARG 91 - HG3 PRO 86 far 0 96 0 - 8.5-12.7 Violated in 3 structures by 0.01 A. Peak 9889 from cnoeabs.peaks (0.67, 2.19, 27.30 ppm; 5.15 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 14 + HG3 PRO 86 OK 99 99 100 100 3.2-5.2 8411/3.8=81...(26) QD2 LEU 14 - HG3 PRO 86 poor 14 57 25 - 5.6-7.2 QD1 LEU 42 - HB3 GLU 75 far 0 80 0 - 7.8-9.1 QD1 ILE 52 - HB3 GLU 75 far 0 72 0 - 8.9-10.4 QG2 VAL 54 - HB3 GLU 75 far 0 86 0 - 9.3-10.4 Violated in 2 structures by 0.00 A. Peak 9890 from cnoeabs.peaks (3.67, 2.19, 27.30 ppm; 5.17 A): 1 out of 4 assignments used, quality = 0.99: HA LEU 14 + HG3 PRO 86 OK 99 99 100 100 4.0-5.9 9887/1.8=89, 9885/3.8=73...(17) HA GLU 88 - HG3 PRO 86 far 0 98 0 - 7.3-9.0 HA LYS 90 - HG3 PRO 86 far 0 100 0 - 8.2-10.0 HA LEU 42 - HB3 GLU 75 far 0 62 0 - 9.3-11.0 Violated in 5 structures by 0.07 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 4.5-4.6 10956/1.8=75...(14) Violated in 0 structures by 0.00 A. Peak 9892 from cnoeabs.peaks (1.91, 3.98, 50.67 ppm; 5.00 A): 2 out of 10 assignments used, quality = 0.87: HB3 LEU 14 + HD3 PRO 86 OK 79 99 80 100 4.4-6.3 3.1/12018=71, ~12221=55...(35) HG3 GLU 88 + HD2 PRO 86 OK 39 73 70 77 4.4-8.8 9866/3.8=55...(5) HB2 LYS 13 - HD3 PRO 86 poor 17 100 40 43 5.2-6.9 586/9884=15, 4.6/9851=13...(5) HG3 GLU 88 - HD3 PRO 86 poor 15 73 20 - 5.5-9.4 HB3 LYS 13 - HD3 PRO 86 poor 10 100 30 32 5.3-7.3 8393/9884=14...(3) HB3 LEU 14 - HD2 PRO 86 far 0 99 0 - 6.1-7.8 HB3 LYS 13 - HD2 PRO 86 far 0 100 0 - 6.4-8.5 HB2 GLU 17 - HD3 PRO 86 far 0 77 0 - 6.6-8.2 HB2 LYS 13 - HD2 PRO 86 far 0 100 0 - 6.7-8.4 HB2 GLU 17 - HD2 PRO 86 far 0 77 0 - 6.8-8.5 Violated in 10 structures by 0.15 A. Peak 9893 from cnoeabs.peaks (2.49, 3.98, 50.67 ppm; 5.74 A): 3 out of 5 assignments used, quality = 1.00: HB2 ASP 87 + HD2 PRO 86 OK 93 100 100 93 4.0-5.8 ~10967=57, 4.0/7382=44...(8) HB3 ASP 87 + HD2 PRO 86 OK 91 100 100 92 4.9-5.9 ~10967=57, 4.0/7382=44...(8) HB2 ASP 87 + HD3 PRO 86 OK 83 100 90 93 5.6-7.3 ~10967=57, 4.0/7382=44...(8) HB3 ASP 87 - HD3 PRO 86 far 15 100 15 - 6.4-7.4 HD2 ARG 91 - HD2 PRO 86 far 0 100 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 9894 from cnoeabs.peaks (1.93, 4.09, 65.04 ppm; 4.88 A): 3 out of 8 assignments used, quality = 0.97: HB3 LEU 14 + HA PRO 86 OK 82 82 100 100 4.6-5.4 3.1/8411=87, 3.0/8407=84...(21) HB2 GLU 17 + HA PRO 86 OK 79 98 95 84 4.1-5.9 735/8422=29, ~12333=23...(14) HG3 GLU 88 + HA PRO 86 OK 23 97 25 93 5.2-7.6 7405/9854=55...(6) HB2 LYS 13 - HA PRO 86 far 0 98 0 - 6.2-8.5 HB3 LYS 13 - HA PRO 86 far 0 96 0 - 6.3-7.7 HB3 LYS 20 - HA PRO 86 far 0 100 0 - 8.7-11.8 HB3 ARG 19 - HA PRO 86 far 0 100 0 - 9.6-11.9 HB2 ARG 19 - HA PRO 86 far 0 63 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9895 from cnoeabs.peaks (1.52, 4.09, 65.04 ppm; 5.52 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 14 + HA PRO 86 OK 100 100 100 100 3.7-4.9 3.1/8411=96, 3.0/8407=94...(23) HG LEU 57 - HA PRO 86 far 0 94 0 - 6.8-8.0 HB2 ARG 91 - HA PRO 86 far 0 71 0 - 7.6-10.2 HB ILE 7 - HA PRO 86 far 0 100 0 - 8.0-9.0 HG3 LYS 13 - HA PRO 86 far 0 90 0 - 8.5-9.7 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 3 assignments used, quality = 1.00: H ARG 91 + HA ASP 87 OK 99 99 100 100 3.8-4.8 9963=96, 7431/10962=70...(12) H ALA 89 + HA ASP 87 OK 65 65 100 99 4.2-5.0 3.6/9904=54, 9897/2.9=54...(10) HZ2 TRP 92 - HA ASP 87 far 0 77 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 9904 from cnoeabs.peaks (3.67, 4.22, 57.31 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 88 + HA ASP 87 OK 100 100 100 100 4.7-4.8 3.6/9924=62...(21) HA LYS 90 - HA ASP 87 far 15 100 15 - 5.5-6.1 HA LEU 14 - HA ASP 87 far 0 96 0 - 6.3-7.7 Violated in 2 structures by 0.00 A. Peak 9905 from cnoeabs.peaks (3.69, 2.50, 40.10 ppm; 4.73 A): 4 out of 8 assignments used, quality = 0.99: HA GLU 37 + HB3 ASP 36 OK 77 86 90 99 4.0-5.7 3.0/6569=46, 8833=45...(15) HA GLU 88 + HB2 ASP 87 OK 75 75 100 99 4.2-5.6 3.0/7390=48, 9904/3.0=46...(19) HA GLU 88 + HB3 ASP 87 OK 75 75 100 99 4.0-5.6 9904/3.0=46, 3.0/7391=42...(21) HA GLU 37 + HB2 ASP 36 OK 65 87 75 99 4.0-5.7 3.0/6569=43, 8833=43...(15) HA LYS 90 - HB3 ASP 87 far 0 91 0 - 7.2-8.3 HA LYS 90 - HB2 ASP 87 far 0 91 0 - 7.7-8.6 HA LEU 14 - HB2 ASP 87 far 0 99 0 - 7.9-9.7 HA LEU 14 - HB3 ASP 87 far 0 99 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 9906 from cnoeabs.peaks (2.92, 4.22, 57.31 ppm; 4.48 A): 1 out of 7 assignments used, quality = 0.93: HE3 LYS 90 + HA ASP 87 OK 93 98 95 100 2.0-6.2 1.8/9907=79, 3.8/9910=55...(14) HG2 MET 21 - HA ASP 87 far 0 96 0 - 6.2-9.0 HE2 LYS 20 - HA ASP 87 far 0 98 0 - 7.6-13.9 HE3 LYS 20 - HA ASP 87 far 0 99 0 - 7.9-13.6 HE2 LYS 94 - HA ASP 87 far 0 100 0 - 8.3-11.7 HE3 LYS 94 - HA ASP 87 far 0 98 0 - 8.8-11.5 HE2 LYS 13 - HA ASP 87 far 0 65 0 - 9.3-14.9 Violated in 2 structures by 0.11 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 2.1-5.1 10314=99, 1.8/9906=77...(15) Violated in 1 structures by 0.03 A. Peak 9908 from cnoeabs.peaks (1.81, 4.22, 57.31 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.79: HB2 LYS 90 + HA ASP 87 OK 73 100 75 97 3.6-5.2 2.8/9910=41, 2.8/9911=39...(12) HB3 LYS 90 + HA ASP 87 OK 22 92 25 97 3.6-5.3 2.8/9910=41, 2.8/9911=39...(11) HB2 GLU 88 - HA ASP 87 far 0 100 0 - 5.6-6.2 HB ILE 93 - HA ASP 87 far 0 99 0 - 8.3-9.1 Violated in 17 structures by 0.24 A. Peak 9909 from cnoeabs.peaks (1.71, 4.22, 57.31 ppm; 3.99 A): 4 out of 9 assignments used, quality = 0.99: HD3 LYS 90 + HA ASP 87 OK 91 96 95 100 2.3-5.8 2.9/9910=52, 3.0/9907=52...(14) HD2 LYS 90 + HA ASP 87 OK 78 82 95 100 1.9-5.5 2.9/9910=52, 3.0/9907=52...(14) HG2 PRO 86 + HA ASP 87 OK 22 92 25 97 4.1-5.8 2.3/10967=65, ~7380=37...(12) HB3 ARG 91 + HA ASP 87 OK 21 77 35 77 4.5-6.7 3.9/9963=40...(10) HD2 LYS 20 - HA ASP 87 far 0 68 0 - 8.0-12.5 HD3 LYS 20 - HA ASP 87 far 0 61 0 - 8.7-12.8 HD2 LYS 13 - HA ASP 87 far 0 98 0 - 9.1-13.1 HG3 LYS 20 - HA ASP 87 far 0 61 0 - 9.2-13.3 HD3 LYS 13 - HA ASP 87 far 0 99 0 - 9.5-13.7 Violated in 1 structures by 0.01 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 2.1-4.7 1.8/9911=74...(17) HD3 LYS 94 - HA ASP 87 far 0 98 0 - 7.3-8.8 HD2 LYS 94 - HA ASP 87 far 0 59 0 - 8.2-10.2 Violated in 7 structures by 0.08 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 2.0-4.6 1.8/9910=82...(17) Violated in 2 structures by 0.00 A. Peak 9913 from cnoeabs.peaks (0.99, 1.81, 30.05 ppm; 4.00 A): 2 out of 5 assignments used, quality = 0.99: QG1 VAL 83 + HB2 GLU 88 OK 92 92 100 100 2.3-3.0 9813=89, 2.1/9822=73...(29) QG2 VAL 83 + HB2 GLU 88 OK 82 82 100 100 2.9-3.9 2.1/9813=79, 2.1/9822=73...(30) QG2 THR 80 - HB2 GLU 104 far 0 87 0 - 8.5-20.5 QG1 VAL 83 - HB2 GLU 104 far 0 78 0 - 8.5-20.2 HG LEU 55 - HB2 GLU 88 far 0 84 0 - 9.4-10.7 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 4.1-5.7 9815=80, 2.1/9814=77...(29) QG1 VAL 83 + HG3 GLU 88 OK 84 84 100 100 2.5-4.6 2.1/9815=80, 9814=69...(29) HG LEU 55 - HG3 GLU 88 far 0 92 0 - 9.2-12.6 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 2 assignments used, quality = 0.98: QG2 VAL 83 + HG2 GLU 88 OK 86 91 95 100 4.7-6.1 9815/1.8=82, ~9814=69...(30) QG1 VAL 83 + HG2 GLU 88 OK 84 84 100 100 3.0-4.9 9814/1.8=73, 9813/3.0=71...(29) Violated in 0 structures by 0.00 A. Peak 9916 from cnoeabs.peaks (1.32, 2.08, 30.05 ppm; 5.01 A): 1 out of 7 assignments used, quality = 0.96: QB ALA 89 + HB3 GLU 88 OK 96 96 100 100 4.3-5.1 2.9/3885=82...(18) HB3 LEU 2 - HB3 GLU 48 poor 15 30 50 - 4.6-7.3 HG2 LYS 90 - HB3 GLU 88 far 10 63 15 - 5.9-8.2 HG LEU 14 - HB3 GLU 88 far 0 84 0 - 7.3-8.5 HG LEU 3 - HB3 GLU 48 far 0 22 0 - 8.4-10.4 HG2 LYS 94 - HB3 GLU 88 far 0 96 0 - 8.5-12.9 HB2 LYS 82 - HB3 GLU 88 far 0 93 0 - 8.8-10.5 Violated in 3 structures by 0.01 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 1.9-3.7 9813/1.8=86, ~9822=56...(35) QG2 VAL 83 + HB3 GLU 88 OK 71 71 100 100 3.6-4.8 ~9813=59, ~9822=56...(35) HG LEU 55 - HB3 GLU 88 far 0 73 0 - 8.7-11.2 QG2 THR 80 - HB3 GLU 88 far 0 96 0 - 10.0-11.8 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 = 0.99: QG2 VAL 83 + HA GLU 88 OK 96 96 100 100 5.1-6.0 9780/3.6=82, ~9813=71...(26) QG1 VAL 83 + HA GLU 88 OK 73 73 100 100 3.9-4.5 ~9822=68, 9813/3.0=63...(26) QG2 VAL 83 + HA LEU 14 OK 47 50 95 100 5.4-6.5 10402/4.0=92...(5) QG1 VAL 83 - HA LEU 14 far 0 34 0 - 7.4-8.3 QG2 VAL 5 - HA GLU 88 far 0 73 0 - 9.8-11.8 HG LEU 55 - HA GLU 88 far 0 97 0 - 9.9-11.0 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 2.9-4.3 9831=96, 4.0/9813=75...(13) H ILE 56 - HB2 GLU 104 far 0 90 0 - 9.7-21.3 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 2.6-5.8 9832/1.8=80, 9831/3.0=78...(10) Violated in 7 structures by 0.12 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 2.5-7.1 2.6/9973=96...(13) Violated in 3 structures by 0.07 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 2.0-3.0 9824=93, 9810/2.1=64...(27) QG2 VAL 83 + HA ALA 89 OK 59 59 100 99 2.8-3.7 2.1/9824=63, ~9810=35...(26) HG LEU 55 - HA ALA 89 far 0 61 0 - 6.1-7.0 HB3 LEU 55 - HA ALA 89 far 0 85 0 - 7.6-8.7 QG2 THR 80 - HA ALA 89 far 0 90 0 - 8.9-10.0 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 8 assignments used, quality = 0.95: QD1 LEU 57 + HA ALA 89 OK 72 79 95 96 1.9-4.3 9808/9824=35, 10698=35...(18) QD1 ILE 93 + HA ALA 89 OK 61 79 95 81 3.1-4.3 10321/2.1=45...(12) QD2 LEU 57 + HA ALA 89 OK 59 100 65 90 4.0-4.7 2.1/10698=41, 10697=27...(16) QG2 ILE 7 - HA ALA 89 far 0 100 0 - 6.9-7.7 QD1 ILE 15 - HA ALA 89 far 0 59 0 - 8.0-9.9 QG2 ILE 15 - HA ALA 89 far 0 99 0 - 8.4-9.7 QD1 LEU 27 - HA ALA 89 far 0 77 0 - 8.6-9.8 QG1 VAL 54 - HA ALA 89 far 0 63 0 - 9.9-10.6 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 9 assignments used, quality = 0.78: QD2 LEU 14 + HA ALA 89 OK 65 94 70 98 4.4-5.7 10403/9825=59, ~8402=39...(16) QD1 LEU 14 + HA ALA 89 OK 38 98 40 99 4.7-6.6 10402/9825=66...(11) QG1 VAL 5 - HA ALA 89 far 7 65 10 - 5.2-6.5 QD1 LEU 29 - HA ALA 89 far 0 63 0 - 6.1-6.8 QG2 VAL 58 - HA ALA 89 far 0 96 0 - 7.6-8.7 QG1 VAL 58 - HA ALA 89 far 0 77 0 - 7.9-9.0 QD1 ILE 8 - HA ALA 89 far 0 93 0 - 8.9-10.9 QD1 ILE 56 - HA ALA 89 far 0 95 0 - 9.4-11.1 QD2 LEU 6 - HA ALA 89 far 0 100 0 - 10.0-11.6 Violated in 18 structures by 0.24 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 1.9-3.0 2.1/9810=63, 9818=62...(24) QG2 VAL 5 - QB ALA 89 far 0 99 0 - 5.9-7.3 HG LEU 55 - QB ALA 89 far 0 99 0 - 6.2-6.9 HB2 ARG 81 - QB ALA 89 far 0 90 0 - 6.5-9.2 QG2 THR 80 - QB ALA 89 far 0 84 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 9932 from cnoeabs.peaks (0.76, 1.34, 17.35 ppm; 3.01 A): 1 out of 16 assignments used, quality = 0.91: QD1 ILE 93 + QB ALA 89 OK 91 100 100 91 2.2-3.6 10321=61, 8480/12030=27...(15) QD2 LEU 57 - QB ALA 89 poor 14 71 20 - 3.6-4.8 HG13 ILE 93 - QB ALA 89 far 9 93 10 - 3.8-5.6 QG1 VAL 5 - QB ALA 89 far 0 65 0 - 4.5-5.6 QG2 ILE 7 - QB ALA 89 far 0 65 0 - 4.5-5.5 QG2 ILE 93 - QB ALA 89 far 0 98 0 - 5.1-6.6 QD1 ILE 15 - QB ALA 89 far 0 100 0 - 5.1-7.1 HG13 ILE 15 - QB ALA 89 far 0 99 0 - 5.5-6.9 HG3 ARG 81 - QB ALA 89 far 0 88 0 - 6.9-9.0 QG2 ILE 8 - QB ALA 89 far 0 87 0 - 7.5-8.8 QD1 LEU 27 - QB ALA 89 far 0 100 0 - 7.6-8.7 QD1 LEU 64 - QB ALA 89 far 0 91 0 - 8.5-9.8 QG1 VAL 54 - QB ALA 89 far 0 100 0 - 8.6-9.4 QD1 LEU 6 - QB ALA 89 far 0 99 0 - 8.9-10.2 QG1 VAL 78 - QB ALA 89 far 0 95 0 - 9.2-12.3 QD2 LEU 27 - QB ALA 89 far 0 71 0 - 9.7-10.7 Violated in 8 structures by 0.11 A. Peak 9933 from cnoeabs.peaks (2.08, 1.34, 17.35 ppm; 3.63 A): 3 out of 7 assignments used, quality = 0.95: HB VAL 83 + QB ALA 89 OK 79 79 100 100 3.4-4.5 2.1/9931=76, 2.1/9810=74...(16) HB3 PRO 86 + QB ALA 89 OK 52 91 60 95 4.1-5.0 2.3/10971=69...(15) HB2 PRO 86 + QB ALA 89 OK 48 65 80 93 4.2-4.9 2.3/10971=69, ~9923=27...(15) HB3 GLU 88 - QB ALA 89 far 10 100 10 - 4.3-5.1 HB2 MET 21 - QB ALA 89 far 0 71 0 - 4.7-7.0 QE MET 21 - QB ALA 89 far 0 96 0 - 5.6-7.6 HB2 GLU 16 - QB ALA 89 far 0 99 0 - 7.4-8.9 Violated in 3 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 2.2-5.3 9796/9824=71, 14630=59...(17) Violated in 2 structures by 0.09 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 3.7-6.3 9935/2.1=97...(15) HD21 ASN 60 - QB ALA 89 far 0 100 0 - 9.4-13.0 Violated in 2 structures by 0.06 A. Peak 9937 from cnoeabs.peaks (7.55, 1.34, 17.35 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.94: H GLU 88 + QB ALA 89 OK 94 94 100 100 4.1-4.4 7400/7407=87...(17) H LEU 14 - QB ALA 89 far 0 100 0 - 6.0-6.9 H LYS 24 - QB ALA 89 far 0 92 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 9938 from cnoeabs.peaks (7.70, 1.34, 17.35 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.96: H SER 85 + QB ALA 89 OK 96 96 100 100 4.4-5.7 10303/7407=79...(12) H MET 21 - QB ALA 89 far 9 92 10 - 5.9-7.3 H ASN 60 - QB ALA 89 far 0 84 0 - 8.5-10.1 H ALA 25 - QB ALA 89 far 0 100 0 - 9.6-11.2 Violated in 8 structures by 0.13 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 4.4-5.3 4162/9932=78...(9) H GLU 95 - QB ALA 89 far 0 100 0 - 7.6-8.7 Violated in 7 structures by 0.07 A. Peak 9940 from cnoeabs.peaks (8.66, 1.34, 17.35 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.99: H ALA 18 + QB ALA 89 OK 99 100 100 99 3.8-4.6 2.9/12030=80, 8334=55...(10) H ASP 11 - QB ALA 89 far 0 96 0 - 7.8-9.0 H ASN 10 - QB ALA 89 far 0 96 0 - 8.2-9.9 H LEU 55 - QB ALA 89 far 0 91 0 - 8.9-9.8 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 99 100 100 1.9-3.4 10025=65, 3.2/4129=43...(22) HG13 ILE 93 + HA LYS 90 OK 49 96 55 93 2.3-5.3 2.1/10025=54...(12) QG2 ILE 93 + HA LYS 90 OK 49 99 50 98 4.0-5.0 2.1/4129=54...(15) QG1 VAL 5 - HA LYS 90 far 0 71 0 - 5.6-7.2 QD2 LEU 57 - HA LYS 90 far 0 65 0 - 5.7-7.6 QD1 LEU 27 - HA LYS 90 far 0 99 0 - 7.0-8.1 QG2 ILE 7 - HA LYS 90 far 0 59 0 - 7.2-9.3 QD1 ILE 15 - HA LYS 90 far 0 100 0 - 8.4-11.8 HG13 ILE 15 - HA LYS 90 far 0 100 0 - 9.2-11.8 QD2 LEU 27 - HA LYS 90 far 0 77 0 - 9.5-10.5 HG3 ARG 81 - HA LYS 90 far 0 92 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 9948 from cnoeabs.peaks (2.05, 3.67, 60.35 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.99: HB2 MET 21 + HA LYS 90 OK 99 100 100 99 2.8-3.9 3.0/3920=60, 8549=48...(23) HB3 LYS 94 - HA LYS 90 poor 16 81 20 - 3.7-7.4 HG12 ILE 93 - HA LYS 90 far 15 98 15 - 2.9-5.4 HB3 GLU 88 - HA LYS 90 far 0 82 0 - 7.5-8.3 HB2 GLU 16 - HA LYS 90 far 0 85 0 - 9.0-12.2 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 2.0-4.6 1.8/3920=91, 3.0/9948=72...(26) HB3 MET 21 + HA LYS 90 OK 100 100 100 100 2.8-3.9 1.8/9948=89, 3.0/3920=73...(26) HG3 GLU 17 - HA LYS 90 far 0 85 0 - 6.5-9.1 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 2.0-4.6 9911=99, 9910/1.8=96...(17) HB3 SER 85 - HG2 LYS 90 far 0 85 0 - 6.5-9.6 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 = 0.95: HA ASP 87 + HB3 LYS 90 OK 85 100 85 100 3.6-5.3 9908/1.8=71, 9910/2.8=60...(11) HA ASP 87 + HB2 LYS 90 OK 70 78 90 100 3.6-5.2 9908=68, 9910/2.8=60...(12) HB3 SER 85 - HB2 LYS 90 far 0 52 0 - 8.2-10.1 HB3 SER 85 - HB3 LYS 90 far 0 75 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. Peak 9954 from cnoeabs.peaks (4.18, 1.58, 25.29 ppm; 4.93 A): 2 out of 7 assignments used, quality = 0.86: HA LYS 73 + HG3 LYS 73 OK 63 63 100 100 2.3-3.9 4.1=100 HA ASP 87 + HG3 LYS 90 OK 61 61 100 100 2.1-4.7 9951/7420=58, 9910=51...(17) HA GLN 72 - HG3 LYS 73 poor 16 44 35 - 5.6-6.4 HA LYS 13 - HG3 LYS 12 far 0 48 0 - 6.3-6.7 HA GLU 23 - HG2 LYS 24 far 0 40 0 - 6.8-7.4 HB3 SER 85 - HG3 LYS 90 far 0 100 0 - 6.8-10.3 HA LYS 13 - HG3 LYS 90 far 0 75 0 - 8.7-11.6 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 2 assignments used, quality = 0.97: HA LYS 90 + HA ARG 91 OK 95 96 100 99 4.7-4.8 10978/3.6=42...(26) HA GLU 88 + HA ARG 91 OK 40 100 40 100 5.0-5.8 4024/3.0=69, 3869/3.0=68...(19) Violated in 7 structures by 0.01 A. Peak 9958 from cnoeabs.peaks (3.66, 1.09, 26.75 ppm; 6.03 A): 2 out of 2 assignments used, quality = 0.98: HA GLU 88 + HG2 ARG 91 OK 96 96 100 100 2.0-5.9 4024/2.8=97, 9961/2.9=83...(18) HA LYS 90 + HG2 ARG 91 OK 52 94 55 100 5.7-7.3 3.6/7444=87...(14) 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 3 assignments used, quality = 1.00: HA GLU 88 + HG2 ARG 91 OK 100 100 100 100 2.0-5.9 4024/2.8=93...(18) HA LEU 42 + HG12 ILE 76 OK 51 53 95 100 5.5-6.7 4.0/9667=74...(16) HA LYS 90 + HG2 ARG 91 OK 40 100 40 99 5.7-7.3 3.6/7444=83...(14) 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 2 assignments used, quality = 0.98: HA GLU 88 + HD3 ARG 91 OK 98 99 100 100 2.0-6.2 9961/1.8=83, 4024/3.5=78...(18) HA LYS 90 - HD3 ARG 91 far 0 91 0 - 7.6-8.6 Violated in 5 structures by 0.12 A. Peak 9961 from cnoeabs.peaks (3.65, 2.49, 43.24 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 88 + HD2 ARG 91 OK 99 99 100 100 2.5-5.6 9960/1.8=80, 4024/3.5=78...(20) HA LYS 90 - HD2 ARG 91 far 0 94 0 - 6.4-8.2 Violated in 4 structures by 0.03 A. Peak 9962 from cnoeabs.peaks (2.12, 2.49, 43.24 ppm; 5.60 A): 2 out of 6 assignments used, quality = 0.54: HG2 GLU 88 + HD2 ARG 91 OK 37 85 60 72 4.4-9.0 4.2/9961=63, ~12146=12 HB3 GLU 88 + HD2 ARG 91 OK 27 59 45 100 4.6-7.9 3.0/9961=76, ~9960=57...(13) QE MET 21 - HD2 ARG 91 far 0 94 0 - 6.5-9.4 HB VAL 83 - HD2 ARG 91 far 0 100 0 - 7.2-10.4 HB3 PRO 86 - HD2 ARG 91 far 0 98 0 - 8.9-12.5 HB2 PRO 86 - HD2 ARG 91 far 0 100 0 - 9.5-12.6 Violated in 10 structures by 0.36 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 2 assignments used, quality = 1.00: H TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.6-3.9 7466=99, 7464/3.9=89...(15) H ASP 87 - HD1 TRP 92 far 0 100 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 9976 from cnoeabs.peaks (2.15, 7.07, 122.39 ppm; 6.45 A): 1 out of 5 assignments used, quality = 0.83: HB3 GLU 95 + HZ3 TRP 92 OK 83 93 90 100 4.2-11.0 ~12282=81, 14641/2.5=78...(5) HG2 GLU 104 - HZ3 TRP 92 poor 19 96 20 - 5.4-16.4 HG2 GLU 88 - HZ3 TRP 92 far 10 95 10 - 7.1-11.2 HB VAL 83 - HZ3 TRP 92 far 6 61 10 - 5.1-10.6 HB2 LEU 64 - HZ3 TRP 92 far 0 61 0 - 8.5-14.8 Violated in 2 structures by 0.38 A. Peak 9977 from cnoeabs.peaks (4.81, 7.24, 124.39 ppm; 5.73 A): 1 out of 2 assignments used, quality = 0.81: HA TRP 92 + HH2 TRP 92 OK 81 92 90 97 5.7-7.8 14659/2.4=83...(3) HA VAL 83 - HH2 TRP 92 far 9 92 10 - 2.6-9.7 Violated in 19 structures by 0.40 A. Peak 9978 from cnoeabs.peaks (4.80, 7.07, 122.39 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.78: HA TRP 92 + HZ3 TRP 92 OK 78 87 90 99 4.3-7.2 14638/2.5=92...(4) HA VAL 83 - HZ3 TRP 92 far 10 96 10 - 3.6-10.7 Violated in 2 structures by 0.18 A. Peak 9979 from cnoeabs.peaks (3.88, 6.87, 127.01 ppm; 6.18 A): 2 out of 5 assignments used, quality = 0.99: HA ARG 91 + HD1 TRP 92 OK 93 99 95 99 4.5-7.3 3.6/7466=94...(7) HA ALA 89 + HD1 TRP 92 OK 88 88 100 100 2.2-5.3 2.1/9936=89, 3.0/9934=86...(17) HB2 SER 85 - HD1 TRP 92 far 0 85 0 - 7.2-9.0 HA LYS 94 - HD1 TRP 92 far 0 98 0 - 8.3-10.3 HB2 SER 102 - HD1 TRP 92 far 0 96 0 - 9.1-19.8 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 2.8-3.2 4.2=100 HB2 HIS 106 - HE3 TRP 92 far 0 100 0 - 9.4-22.2 Violated in 0 structures by 0.00 A. Peak 9981 from cnoeabs.peaks (3.08, 7.43, 120.39 ppm; 5.92 A): 2 out of 5 assignments used, quality = 0.95: HB2 TRP 92 + HE3 TRP 92 OK 93 93 100 100 3.0-4.2 4.2=100 HB2 PHE 96 + HE3 TRP 92 OK 32 95 90 37 4.8-8.1 9254/9276=20...(5) HD3 ARG 79 - HE3 TRP 92 far 5 99 5 - 6.3-10.3 HD2 ARG 79 - HE3 TRP 92 far 0 99 0 - 7.2-10.8 HB3 HIS 106 - HE3 TRP 92 far 0 81 0 - 9.4-21.1 Violated in 0 structures by 0.00 A. Peak 9982 from cnoeabs.peaks (2.17, 7.43, 120.39 ppm; 5.96 A): 2 out of 4 assignments used, quality = 0.95: HB3 GLU 95 + HE3 TRP 92 OK 88 98 90 100 3.4-9.0 1.8/12282=97...(5) HB2 GLU 95 + HE3 TRP 92 OK 62 71 90 96 3.4-8.5 2.9/11015=72, ~9976=55...(5) HG2 GLU 104 - HE3 TRP 92 far 0 87 0 - 7.5-17.8 HG2 GLU 88 - HE3 TRP 92 far 0 77 0 - 7.6-10.2 Violated in 2 structures by 0.13 A. Peak 9984 from cnoeabs.peaks (0.97, 3.10, 29.79 ppm; 5.80 A): 4 out of 6 assignments used, quality = 1.00: HG LEU 55 + HB2 TRP 92 OK 99 99 100 100 4.9-6.2 2.1/9987=95, 2.1/9988=87...(15) QG2 VAL 83 + HB2 TRP 92 OK 99 99 100 100 4.9-5.6 9782/3.9=80...(12) QG1 VAL 83 + HB2 TRP 92 OK 63 63 100 99 3.5-4.0 10946=51, 9796/3.9=50...(13) QG2 VAL 5 + HB2 TRP 92 OK 43 82 60 87 5.5-7.3 2549/9987=38...(11) QG2 THR 80 - HB2 TRP 92 far 0 100 0 - 8.7-9.8 QG2 THR 80 - HB2 HIS 105 far 0 59 0 - 9.1-17.9 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 8 assignments used, quality = 1.00: QD2 LEU 57 + HB2 TRP 92 OK 99 100 100 99 3.2-4.9 2.1/9357=78, ~9358=52...(20) QD1 LEU 57 + HB2 TRP 92 OK 80 81 100 100 2.7-4.0 9357=74, 9358/1.8=58...(19) QD1 ILE 93 + HB2 TRP 92 OK 71 77 100 92 3.4-4.5 9983/7464=39...(14) QD2 LEU 103 - HB2 HIS 105 far 2 43 5 - 4.7-8.8 QD1 LEU 27 - HB2 TRP 92 far 0 75 0 - 7.6-8.4 QG2 ILE 7 - HB2 TRP 92 far 0 100 0 - 8.2-9.4 QG1 VAL 54 - HB2 TRP 92 far 0 61 0 - 9.3-10.2 QG2 ILE 15 - HB2 TRP 92 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 9986 from cnoeabs.peaks (0.71, 3.10, 29.79 ppm; 6.50 A): 4 out of 17 assignments used, quality = 1.00: QG1 VAL 5 + HB2 TRP 92 OK 92 95 100 97 4.5-6.3 8195/9987=85...(10) HG13 ILE 93 + HB2 TRP 92 OK 69 70 100 99 3.3-6.2 4.6/7484=54...(12) HG3 ARG 81 + HB2 TRP 92 OK 67 77 90 96 4.9-7.7 ~12215=71, 12216=36...(9) QD2 LEU 14 + HB2 TRP 92 OK 53 100 75 71 6.5-7.9 9930/3905=46...(3) QD1 LEU 14 - HB2 TRP 92 poor 18 73 25 - 6.9-8.8 QG2 VAL 58 - HB2 TRP 92 far 0 70 0 - 8.4-9.4 QG1 VAL 58 - HB2 TRP 92 far 0 99 0 - 8.6-9.8 QD1 LEU 64 - HB2 HIS 105 far 0 37 0 - 8.8-16.3 QG2 VAL 78 - HB2 HIS 105 far 0 57 0 - 8.8-20.1 HG3 ARG 81 - HB2 HIS 105 far 0 40 0 - 9.0-16.3 QD1 ILE 56 - HB2 TRP 92 far 0 100 0 - 9.2-11.1 QG1 VAL 78 - HB2 HIS 105 far 0 33 0 - 9.2-18.9 QD1 LEU 64 - HB2 TRP 92 far 0 73 0 - 9.3-10.5 QD1 ILE 8 - HB2 TRP 92 far 0 100 0 - 9.8-11.6 QG2 VAL 78 - HB2 TRP 92 far 0 98 0 - 9.8-13.2 QG1 VAL 78 - HB2 TRP 92 far 0 65 0 - 9.8-13.2 QD2 LEU 6 - HB2 TRP 92 far 0 88 0 - 9.9-12.0 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 2 assignments used, quality = 0.96: QD2 LEU 55 + HB2 TRP 92 OK 96 96 100 100 3.0-4.1 9264/1.8=83...(20) QD1 LEU 3 - HB2 TRP 92 far 0 79 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 9988 from cnoeabs.peaks (0.40, 3.10, 29.79 ppm; 5.37 A): 1 out of 4 assignments used, quality = 0.67: QD1 LEU 55 + HB2 TRP 92 OK 67 68 100 100 3.9-5.6 2.1/9987=89, ~9264=75...(17) HG2 ARG 81 - HB2 TRP 92 far 8 82 10 - 5.4-8.8 QD1 LEU 55 - HB2 HIS 105 far 0 34 0 - 8.1-15.2 HG2 ARG 81 - HB2 HIS 105 far 0 43 0 - 8.4-16.6 Violated in 1 structures by 0.01 A. Peak 9990 from cnoeabs.peaks (0.96, 3.19, 29.79 ppm; 5.46 A): 4 out of 7 assignments used, quality = 1.00: HG LEU 55 + HB3 TRP 92 OK 99 99 100 100 3.6-5.3 2.1/9255=94, 2.1/9992=93...(14) QG2 VAL 83 + HB3 TRP 92 OK 89 99 90 100 5.7-6.6 9782/3.9=74...(10) HB2 ARG 81 + HB3 TRP 92 OK 77 88 90 96 4.3-6.9 2.9/12215=54...(11) QG2 VAL 5 + HB3 TRP 92 OK 69 99 75 93 4.8-6.9 8197/9255=72...(9) HB2 ARG 81 - HB2 HIS 106 far 0 69 0 - 7.9-22.0 QG2 THR 80 - HB3 TRP 92 far 0 85 0 - 7.9-9.4 QG2 THR 80 - HB2 HIS 106 far 0 66 0 - 8.9-19.4 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 8 assignments used, quality = 1.00: QD2 LEU 57 + HB3 TRP 92 OK 98 99 100 99 2.6-5.0 2.1/9358=74, ~9357=54...(18) QD1 LEU 57 + HB3 TRP 92 OK 89 90 100 100 2.1-3.7 9358=86, 9357/1.8=70...(19) QD1 ILE 93 + HB3 TRP 92 OK 51 65 90 86 3.3-5.6 9983/7465=35...(11) QD2 LEU 103 - HB2 HIS 106 far 4 71 5 - 4.4-12.8 QD1 LEU 27 - HB3 TRP 92 far 0 63 0 - 6.8-8.2 QG2 ILE 7 - HB3 TRP 92 far 0 100 0 - 8.6-10.4 QD2 LEU 103 - HB3 TRP 92 far 0 91 0 - 8.8-16.3 QD1 LEU 6 - HB3 TRP 92 far 0 68 0 - 9.7-12.1 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 1.9-2.9 9264=93, 2.1/9255=77...(18) QD2 LEU 55 - HB2 HIS 106 far 0 84 0 - 9.5-19.8 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 2.4-4.3 9255=99, 2.1/9992=79...(19) HG2 ARG 81 + HB3 TRP 92 OK 22 100 25 89 4.8-7.8 12215=40, 9747/9358=35...(12) HG2 ARG 81 - HB2 HIS 106 far 0 84 0 - 7.9-19.7 QD1 LEU 55 - HB2 HIS 106 far 0 82 0 - 8.2-18.7 QD1 LEU 3 - HB3 TRP 92 far 0 68 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 9994 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 6.29 A): 3 out of 7 assignments used, quality = 1.00: HB VAL 83 + HD1 TRP 92 OK 99 99 100 100 4.0-6.9 2.1/9796=100...(16) HB3 GLU 88 + HD1 TRP 92 OK 85 85 100 100 2.1-4.7 1.8/12224=94, 12225=86...(18) HG2 GLU 88 + HD1 TRP 92 OK 59 59 100 100 4.1-6.7 1.8/9922=83...(13) QE MET 21 - HD1 TRP 92 far 0 100 0 - 7.8-9.6 HB3 PRO 86 - HD1 TRP 92 far 0 100 0 - 8.6-10.9 HB2 PRO 86 - HD1 TRP 92 far 0 95 0 - 8.8-11.6 HG3 GLU 104 - HD1 TRP 92 far 0 100 0 - 9.8-23.9 Violated in 0 structures by 0.00 A. Peak 9995 from cnoeabs.peaks (0.99, 6.87, 127.01 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.98: QG1 VAL 83 + HD1 TRP 92 OK 93 93 100 100 1.9-4.8 9796=90, 9998/2.6=63...(22) QG2 VAL 83 + HD1 TRP 92 OK 72 81 90 100 3.7-7.0 2.1/9796=86, 9782=54...(22) HG LEU 55 - HD1 TRP 92 far 0 82 0 - 5.9-8.8 HB3 LEU 55 - HD1 TRP 92 far 0 65 0 - 7.6-10.0 QG2 THR 80 - HD1 TRP 92 far 0 99 0 - 8.1-11.8 Violated in 2 structures by 0.06 A. Peak 9996 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.82 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 57 + HD1 TRP 92 OK 93 98 95 100 2.5-5.9 9342=92, 9357/3.9=65...(21) QD2 LEU 57 + HD1 TRP 92 OK 74 93 80 99 4.2-7.4 2.1/9342=84, 9343/5.1=36...(15) QG2 ILE 7 - HD1 TRP 92 far 0 96 0 - 8.8-12.0 QD2 LEU 103 - HD1 TRP 92 far 0 98 0 - 9.9-18.5 Violated in 2 structures by 0.07 A. Peak 9997 from cnoeabs.peaks (0.81, 7.43, 120.39 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 57 + HE3 TRP 92 OK 96 96 100 100 1.9-5.8 2.1/9343=77, 9357/4.2=67...(15) QD2 LEU 57 + HE3 TRP 92 OK 86 96 90 100 4.3-6.3 9343=92, 2.1/9341=56...(16) QD2 LEU 103 - HE3 TRP 92 far 0 96 0 - 7.2-14.3 QG2 ILE 7 - HE3 TRP 92 far 0 98 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 10002 from cnoeabs.peaks (0.98, 7.07, 122.39 ppm; 6.50 A): 2 out of 5 assignments used, quality = 0.83: QG1 VAL 83 + HZ3 TRP 92 OK 65 68 100 96 2.5-7.3 9998/5.9=51, 9796/6.6=47...(8) HG LEU 55 + HZ3 TRP 92 OK 51 90 60 95 5.1-8.7 ~9276=75, 14642/2.5=41...(9) QG2 THR 80 - HZ3 TRP 92 far 10 96 10 - 6.1-10.5 QG2 VAL 83 - HZ3 TRP 92 far 9 89 10 - 4.6-9.6 QG2 VAL 5 - HZ3 TRP 92 far 3 64 5 - 7.0-10.3 Violated in 2 structures by 0.03 A. Peak 10003 from cnoeabs.peaks (1.70, 7.49, 114.58 ppm; 6.27 A): 1 out of 3 assignments used, quality = 0.78: HD2 ARG 81 + HZ2 TRP 92 OK 78 87 90 100 2.6-8.4 10925=86, 9975/2.8=82...(8) HB3 ARG 91 - HZ2 TRP 92 poor 6 86 25 28 6.6-9.0 7458/8.7=26 HD3 LYS 90 - HZ2 TRP 92 far 0 97 0 - 9.6-14.0 Violated in 4 structures by 0.19 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 3.3-4.3 2.4/4128=85, 2.4/4325=84...(17) HE ARG 91 - HA ILE 93 far 0 95 0 - 9.4-11.9 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 6 assignments used, quality = 1.00: QB ALA 25 + HA ILE 93 OK 96 97 100 99 4.8-6.0 10063/7565=75...(12) QB ALA 89 + HA ILE 93 OK 92 97 95 100 6.0-7.0 9932/4163=93...(7) HB3 LEU 27 + HA ILE 93 OK 69 93 75 99 6.0-7.8 8634/8176=66...(11) HG2 LYS 94 + HA ILE 93 OK 38 97 40 99 5.5-7.5 4208/3.6=81...(11) HG2 LYS 90 - HA ILE 93 far 0 61 0 - 7.7-9.0 HG LEU 3 - HA ILE 93 far 0 84 0 - 8.8-10.7 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 2 assignments used, quality = 0.82: QG2 VAL 5 + HA ILE 93 OK 82 82 100 99 2.8-4.2 8176=76, 10322/3.2=74...(16) HB2 ARG 81 - HA ILE 93 far 0 98 0 - 8.4-10.3 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 2.0-3.2 9262=84, 10021/4163=45...(20) QD1 LEU 3 - HA ILE 93 far 0 88 0 - 5.7-7.9 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 2.0-4.2 3.0/10011=78...(22) HG3 MET 21 + HB ILE 93 OK 99 99 100 100 2.0-5.1 1.8/10011=93, ~10012=70...(23) HG3 GLU 17 - HB ILE 93 far 0 61 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 10011 from cnoeabs.peaks (2.93, 1.80, 37.57 ppm; 4.62 A): 1 out of 8 assignments used, quality = 0.98: HG2 MET 21 + HB ILE 93 OK 98 98 100 100 2.6-4.7 10012/2.1=77...(21) HE2 LYS 94 - HB ILE 93 far 0 99 0 - 6.2-8.8 HE3 LYS 94 - HB ILE 93 far 0 95 0 - 6.7-9.0 HE3 LYS 90 - HB ILE 93 far 0 99 0 - 6.8-9.1 HE3 LYS 24 - HB ILE 93 far 0 70 0 - 8.5-12.3 HE2 LYS 20 - HB ILE 93 far 0 96 0 - 9.0-12.2 HE2 LYS 24 - HB ILE 93 far 0 70 0 - 9.3-12.7 HE3 LYS 20 - HB ILE 93 far 0 96 0 - 9.4-12.6 Violated in 2 structures by 0.01 A. Peak 10012 from cnoeabs.peaks (2.93, 0.75, 17.00 ppm; 4.48 A): 1 out of 8 assignments used, quality = 0.98: HG2 MET 21 + QG2 ILE 93 OK 98 98 100 100 2.3-4.8 10011/2.1=71...(23) HE2 LYS 94 - QG2 ILE 93 far 0 99 0 - 5.5-8.2 HE3 LYS 94 - QG2 ILE 93 far 0 95 0 - 6.3-8.7 HE3 LYS 90 - QG2 ILE 93 far 0 99 0 - 6.9-9.5 HE3 LYS 24 - QG2 ILE 93 far 0 70 0 - 7.3-9.8 HE2 LYS 24 - QG2 ILE 93 far 0 70 0 - 7.7-10.2 HE3 LYS 20 - QG2 ILE 93 far 0 96 0 - 8.3-10.7 HE2 LYS 20 - QG2 ILE 93 far 0 96 0 - 8.7-10.3 Violated in 15 structures by 0.10 A. Peak 10013 from cnoeabs.peaks (2.39, 0.75, 17.00 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.99: HB3 MET 21 + QG2 ILE 93 OK 99 99 100 100 2.0-4.1 3.0/10012=52...(27) HG3 MET 21 + QG2 ILE 93 OK 30 99 30 100 2.9-5.4 1.8/10012=65...(27) HG3 GLU 17 - QG2 ILE 93 far 0 61 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 10014 from cnoeabs.peaks (0.50, 0.75, 17.00 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + QG2 ILE 93 OK 99 99 100 100 3.0-4.4 9262/3.2=76...(22) QD1 LEU 3 - QG2 ILE 93 poor 17 68 50 52 4.6-6.3 14672/10031=14...(9) 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 3.8-5.3 9262/3.0=97, 9266/3.0=90...(12) 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 2.1-5.0 10021/2.1=93, 9266=80...(17) QD1 LEU 3 - HG12 ILE 93 far 0 88 0 - 7.0-9.2 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 2.1-4.9 2.1/10198=92...(11) HG LEU 55 + HG12 ILE 93 OK 68 91 75 100 4.2-7.7 2.1/9266=81, ~10021=67...(14) QG2 VAL 83 - HG12 ILE 93 far 0 92 0 - 6.8-8.8 HB2 ARG 81 - HG12 ILE 93 far 0 99 0 - 8.8-11.0 QG2 THR 80 - HG12 ILE 93 far 0 63 0 - 9.3-12.2 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 99 2.4-5.2 10322/3.2=81, ~10198=67...(18) HG LEU 55 + HG13 ILE 93 OK 64 71 90 100 3.8-7.1 2.1/10019=76, ~10021=63...(18) QG2 VAL 83 - HG13 ILE 93 far 0 73 0 - 6.1-8.5 HB2 ARG 81 - HG13 ILE 93 far 0 100 0 - 7.7-11.7 HG13 ILE 7 - HG13 ILE 93 far 0 59 0 - 7.9-9.3 Violated in 1 structures by 0.01 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 2.1-4.4 10021/2.1=90...(22) QD1 LEU 3 - HG13 ILE 93 far 0 68 0 - 7.4-9.7 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 = 0.97: QB ALA 18 + QD1 ILE 93 OK 97 100 100 97 1.8-2.4 8482=61, 2.1/8480=60...(18) HB2 LEU 57 - QD1 ILE 93 far 0 84 0 - 4.7-5.8 QG2 THR 84 - QD1 ILE 93 far 0 91 0 - 9.3-10.8 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 2.4-4.4 9266/2.1=57...(17) QD1 LEU 3 - QD1 ILE 93 far 0 79 0 - 7.2-8.9 Violated in 4 structures by 0.03 A. Peak 10022 from cnoeabs.peaks (1.22, 0.74, 30.82 ppm; 5.87 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 18 + HG13 ILE 93 OK 98 98 100 100 3.4-4.7 10020/2.1=99, ~8480=91...(13) HB2 LEU 57 + HG13 ILE 93 OK 26 92 55 52 5.7-8.1 10023/1.8=19, ~2630=13...(7) HB2 LEU 6 - HG13 ILE 93 far 0 65 0 - 8.7-11.0 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 = 0.99: QB ALA 18 + HG12 ILE 93 OK 98 98 100 100 2.9-4.7 10020/2.1=99, ~8480=94...(13) HB2 LEU 57 + HG12 ILE 93 OK 31 92 50 67 6.3-8.2 8276/10999=24...(7) HB2 LEU 6 - HG12 ILE 93 far 0 65 0 - 8.6-10.6 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 8 assignments used, quality = 1.00: HG2 MET 21 + QD1 ILE 93 OK 100 100 100 100 2.8-5.1 3.4/10318=68...(29) HE3 LYS 90 - QD1 ILE 93 far 10 100 10 - 4.2-8.3 HE2 LYS 20 - QD1 ILE 93 far 0 81 0 - 6.8-10.5 HE2 LYS 94 - QD1 ILE 93 far 0 92 0 - 6.9-9.4 HE3 LYS 20 - QD1 ILE 93 far 0 82 0 - 7.0-9.9 HE3 LYS 94 - QD1 ILE 93 far 0 79 0 - 7.3-9.3 HE3 LYS 24 - QD1 ILE 93 far 0 90 0 - 8.1-11.4 HE2 LYS 24 - QD1 ILE 93 far 0 90 0 - 8.7-11.6 Violated in 1 structures by 0.02 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 1.9-3.4 4129/3.2=54, 9947=48...(23) HA LEU 14 - QD1 ILE 93 far 0 87 0 - 6.5-7.9 HA GLU 88 - QD1 ILE 93 far 0 100 0 - 6.6-7.4 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 100 100 100 100 1.9-3.4 8480=99, 2.1/10020=76...(23) HA ARG 19 + QD1 ILE 93 OK 30 75 50 80 3.9-5.2 4.9/10020=33...(11) HA SER 97 - QD1 ILE 93 far 0 61 0 - 7.9-9.0 HB3 SER 102 - QD1 ILE 93 far 0 73 0 - 9.7-17.1 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 4.0-5.0 4129/2.1=82...(17) HA GLU 88 - QG2 ILE 93 far 0 100 0 - 8.7-9.5 HA LEU 14 - QG2 ILE 93 far 0 77 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 10028 from cnoeabs.peaks (3.83, 0.75, 17.00 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.99: HA ALA 22 + QG2 ILE 93 OK 99 100 100 99 1.9-3.1 3.0/11002=41...(28) HA LYS 94 + QG2 ILE 93 OK 58 61 100 95 3.1-3.7 ~7507=32, ~4137=30...(21) HA ARG 19 - QG2 ILE 93 far 5 94 5 - 4.3-6.3 HA SER 97 - QG2 ILE 93 far 0 99 0 - 4.9-6.3 HA2 GLY 100 - QG2 ILE 93 far 0 61 0 - 7.7-10.5 HA2 GLY 101 - QG2 ILE 93 far 0 61 0 - 8.6-12.9 HB3 SER 102 - QG2 ILE 93 far 0 95 0 - 8.8-14.8 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 4 assignments used, quality = 1.00: HA LYS 94 + HB ILE 93 OK 100 100 100 100 4.1-4.4 3.0/7507=97...(15) HA ARG 91 + HB ILE 93 OK 74 87 100 85 4.8-6.0 7502/7507=40...(9) HA ALA 22 + HB ILE 93 OK 63 63 100 99 4.1-5.6 ~11002=59, ~10327=55...(12) HA ALA 89 + HB ILE 93 OK 47 63 75 99 5.2-7.1 ~9932=72, 4.8/4129=67...(9) 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 4.0-4.8 3.6/11002=76...(23) HA ALA 25 + QG2 ILE 93 OK 84 88 100 95 5.1-6.3 2.1/10320=54...(11) HA LEU 2 - QG2 ILE 93 far 0 82 0 - 8.5-10.6 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 3.1-4.4 10004/3.2=71...(27) HZ PHE 96 - QG2 ILE 93 far 0 68 0 - 6.7-7.9 HZ3 TRP 92 - QG2 ILE 93 far 0 65 0 - 8.1-9.7 HE ARG 91 - QG2 ILE 93 far 0 73 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 10032 from cnoeabs.peaks (7.69, 0.75, 17.00 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: H MET 21 + QG2 ILE 93 OK 99 99 100 100 4.2-5.6 6337/10319=79...(13) H ALA 25 + QG2 ILE 93 OK 94 95 100 99 4.2-5.0 8613=50, 2.9/10320=47...(13) H GLU 98 - QG2 ILE 93 poor 17 61 35 80 5.6-6.6 7582/12249=32...(6) 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 = 0.53: HA TRP 92 + HG2 GLU 95 OK 53 77 70 99 2.4-6.2 10037/1.8=70...(5) HA ASN 60 - HG2 GLU 62 far 0 77 0 - 6.6-8.6 HA ASN 60 - HG3 GLU 62 far 0 77 0 - 7.4-8.5 HA THR 34 - HG2 GLU 62 far 0 91 0 - 7.4-11.7 HA THR 34 - HG3 GLU 62 far 0 91 0 - 7.8-12.7 Violated in 8 structures by 0.39 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 65 100 100 3.0-5.8 10036/1.8=90...(7) Violated in 5 structures by 0.04 A. Peak 10040 from cnoeabs.peaks (1.05, 2.52, 36.47 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.20: HG2 ARG 91 + HG3 GLU 95 OK 20 85 50 47 3.5-7.9 9631/7542=14, ~12233=11...(10) HB3 LEU 55 - HG3 GLU 95 far 0 85 0 - 7.2-11.9 HB3 ARG 81 - HG3 GLU 95 far 0 100 0 - 7.9-12.3 Violated in 12 structures by 0.84 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: QG2 ILE 93 - HG3 GLU 95 far 0 75 0 - 6.1-8.0 QD2 LEU 57 - HG3 GLU 95 far 0 97 0 - 6.4-10.6 QD1 LEU 27 - HG3 GLU 95 far 0 98 0 - 6.4-8.8 HG13 ILE 93 - HG3 GLU 95 far 0 61 0 - 6.6-10.2 QD1 ILE 93 - HG3 GLU 95 far 0 98 0 - 6.9-9.2 Violated in 20 structures by 1.34 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: HG13 ILE 93 - HG3 GLU 95 far 0 71 0 - 6.6-10.2 HG3 ARG 81 - HG3 GLU 95 far 0 79 0 - 6.8-12.7 QG1 VAL 5 - HG3 GLU 95 far 0 96 0 - 7.1-10.8 QD2 LEU 27 - HG3 GLU 95 far 0 93 0 - 8.4-10.9 Violated in 20 structures by 2.74 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 2.8-3.8 3.2/4325=75...(20) QD1 LEU 27 + HB2 PHE 96 OK 95 95 100 100 2.9-3.7 8645/2.4=85, ~8647=60...(15) HG13 ILE 93 + HB2 PHE 96 OK 92 99 95 97 4.1-6.2 4.0/4325=65, ~10031=36...(14) QD2 LEU 27 + HB2 PHE 96 OK 85 90 95 99 4.9-6.0 8647/2.4=75, ~8645=63...(11) QG1 VAL 5 + HB2 PHE 96 OK 82 85 100 96 4.4-5.8 ~8169=46, 2.1/8177=34...(14) QD1 ILE 93 + HB2 PHE 96 OK 68 94 75 96 4.4-6.0 4.2/4325=63, ~10031=37...(12) HG3 ARG 81 - HB2 PHE 96 far 0 98 0 - 7.2-10.3 QG1 VAL 54 - HB2 PHE 96 far 0 99 0 - 7.5-8.4 QG1 VAL 78 - HB2 PHE 96 far 0 100 0 - 8.7-11.7 QG2 VAL 78 - HB2 PHE 96 far 0 77 0 - 8.9-11.0 QD1 LEU 6 - HB2 PHE 96 far 0 93 0 - 9.6-11.1 HG13 ILE 56 - HB2 PHE 96 far 0 63 0 - 9.7-12.7 QG2 ILE 52 - HB2 PHE 96 far 0 82 0 - 10.0-11.5 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 = 0.95: QD2 LEU 55 + HB2 PHE 96 OK 81 81 100 100 2.6-4.0 10050/1.8=85...(29) QD1 LEU 3 + HB2 PHE 96 OK 74 95 80 97 3.9-6.2 8074/4.4=43, 8073/2.4=33...(15) Violated in 0 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (0.75, 3.47, 40.43 ppm; 4.80 A): 4 out of 12 assignments used, quality = 1.00: QG2 ILE 93 + HB3 PHE 96 OK 100 100 100 100 4.0-4.7 3.2/4128=74...(17) QD1 LEU 27 + HB3 PHE 96 OK 95 95 100 100 4.2-5.2 8645/2.4=83, ~8647=58...(13) HG13 ILE 93 + HB3 PHE 96 OK 86 99 90 96 4.3-6.2 4.0/4128=63...(12) QG1 VAL 5 + HB3 PHE 96 OK 70 85 85 97 4.3-5.8 8195/10050=56, ~8169=44...(13) QD1 ILE 93 - HB3 PHE 96 poor 19 94 20 - 4.2-6.3 HG3 ARG 81 - HB3 PHE 96 far 5 98 5 - 5.5-8.9 QD2 LEU 27 - HB3 PHE 96 far 0 90 0 - 6.4-7.4 QG1 VAL 54 - HB3 PHE 96 far 0 99 0 - 7.5-8.4 QG1 VAL 78 - HB3 PHE 96 far 0 100 0 - 8.1-11.2 QG2 VAL 78 - HB3 PHE 96 far 0 77 0 - 8.2-11.0 HG13 ILE 56 - HB3 PHE 96 far 0 63 0 - 9.0-12.0 QD1 LEU 6 - HB3 PHE 96 far 0 93 0 - 9.5-11.3 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 1.9-3.1 9263=91, 2.1/9256=50...(23) QD1 LEU 3 - HB3 PHE 96 far 0 79 0 - 5.2-7.3 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 2.3-4.7 2.1/10050=94, 9256=84...(23) QD1 LEU 3 + HB3 PHE 96 OK 32 73 45 96 5.2-7.3 8074/4.4=37, ~8071=33...(14) HG2 ARG 81 - HB3 PHE 96 far 0 100 0 - 6.4-8.6 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 3.5-5.4 8170/4.4=85...(15) HG LEU 55 + HB3 PHE 96 OK 96 96 100 100 4.5-5.9 2.1/10050=100...(18) HB2 ARG 81 - HB3 PHE 96 far 0 95 0 - 7.6-9.0 QG2 VAL 83 - HB3 PHE 96 far 0 97 0 - 9.1-9.7 QG2 THR 80 - HB3 PHE 96 far 0 75 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10053 from cnoeabs.peaks (0.93, 7.03, 131.42 ppm; 6.07 A): 2 out of 4 assignments used, quality = 0.96: QG2 VAL 5 + QD PHE 96 OK 91 91 100 100 2.2-3.5 8170/2.2=87...(24) HG LEU 55 + QD PHE 96 OK 59 59 100 100 4.7-5.5 ~9263=83, ~10050=82...(23) HB2 ARG 81 - QD PHE 96 far 10 100 10 - 6.8-8.7 QG2 VAL 83 - QD PHE 96 far 0 61 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.73, 7.03, 131.42 ppm; 5.27 A): 7 out of 18 assignments used, quality = 1.00: QD2 LEU 27 + QD PHE 96 OK 100 100 100 100 3.8-4.9 8647=98, 2.1/8645=96...(21) QG1 VAL 5 + QD PHE 96 OK 99 100 100 100 3.9-5.5 ~8170=74, 2.1/8169=71...(21) QG2 ILE 93 + QD PHE 96 OK 95 95 100 100 3.1-4.4 10031=82, 3.2/10004=66...(25) HG13 ILE 93 + QD PHE 96 OK 93 99 95 99 4.6-7.0 3.2/10031=63...(14) QD1 LEU 27 + QD PHE 96 OK 68 68 100 100 1.9-3.3 2.1/8647=95, ~8646=69...(23) QG1 VAL 54 + QD PHE 96 OK 43 81 65 82 5.7-6.6 ~9220=51, 3.2/9221=15...(11) QD1 ILE 93 + QD PHE 96 OK 41 65 65 96 4.6-6.5 3.1/10031=64...(11) HG3 ARG 81 - QD PHE 96 poor 13 100 40 31 4.6-9.0 3614/9275=17...(6) QG1 VAL 78 - QD PHE 96 far 0 98 0 - 6.5-9.0 QG2 VAL 78 - QD PHE 96 far 0 98 0 - 6.5-8.6 QD1 ILE 56 - QD PHE 96 far 0 84 0 - 7.2-8.8 HG13 ILE 56 - QD PHE 96 far 0 93 0 - 7.7-10.2 QD1 LEU 6 - QD PHE 96 far 0 63 0 - 7.7-9.3 QD1 ILE 52 - QD PHE 96 far 0 59 0 - 8.5-9.6 QD2 LEU 42 - QD PHE 96 far 0 71 0 - 9.0-10.3 QD1 LEU 64 - QD PHE 96 far 0 99 0 - 9.4-10.6 QD1 ILE 8 - QD PHE 96 far 0 87 0 - 9.9-11.6 QG1 VAL 58 - QD PHE 96 far 0 98 0 - 9.9-10.8 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 2.6-3.4 10050/2.4=99, ~9256=81...(32) QD1 LEU 3 + QD PHE 96 OK 88 88 100 100 2.6-5.1 ~8072=90, 8074/2.2=83...(28) Violated in 0 structures by 0.00 A. Peak 10058 from cnoeabs.peaks (0.75, 6.95, 131.21 ppm; 5.70 A): 8 out of 17 assignments used, quality = 1.00: QG2 ILE 93 + QE PHE 96 OK 97 97 100 100 4.9-6.1 10322/8170=86...(15) QG1 VAL 54 + QE PHE 96 OK 93 93 100 100 4.3-5.3 3.2/9220=83, 4.0/9218=58...(15) QD2 LEU 27 + QE PHE 96 OK 88 88 100 100 3.6-5.3 2.1/8644=98, 8646=90...(16) QD1 LEU 27 + QE PHE 96 OK 87 87 100 100 2.7-4.9 2.1/8646=99, 8645/2.2=89...(21) QG1 VAL 5 + QE PHE 96 OK 84 84 100 100 4.1-5.8 2.1/8170=100, ~8169=60...(20) QG2 VAL 78 + QE PHE 96 OK 49 77 90 71 5.2-6.9 3.2/10330=19...(10) QG1 VAL 78 + QE PHE 96 OK 27 97 45 63 5.0-7.3 6898/9218=22...(9) QG2 ILE 52 + QE PHE 96 OK 21 72 65 46 5.8-7.4 9162/9220=17...(5) HG13 ILE 93 - QE PHE 96 poor 19 97 20 - 6.0-8.8 HG3 ARG 81 - QE PHE 96 poor 14 95 35 43 4.6-9.6 3614/9274=28...(6) QD1 ILE 93 - QE PHE 96 far 4 85 5 - 5.9-7.8 QD1 LEU 6 - QE PHE 96 far 4 84 5 - 6.5-8.3 HG13 ILE 56 - QE PHE 96 far 0 64 0 - 6.7-9.0 QD2 LEU 42 - QE PHE 96 far 0 89 0 - 7.4-8.8 QD1 LEU 64 - QE PHE 96 far 0 96 0 - 8.8-10.4 QD1 ILE 8 - QE PHE 96 far 0 55 0 - 9.4-10.9 QG1 VAL 58 - QE PHE 96 far 0 75 0 - 9.8-10.5 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 2.0-3.9 8170=94, 8169/2.2=68...(22) HG LEU 55 + QE PHE 96 OK 66 66 100 100 5.2-5.8 3.7/10669=88...(17) HB2 ARG 81 - QE PHE 96 far 0 97 0 - 7.1-9.7 QG2 VAL 83 - QE PHE 96 far 0 68 0 - 9.8-10.7 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 1.9-3.4 8093=99, 2.1/8090=53...(14) QD1 LEU 55 - HA SER 97 far 0 84 0 - 6.9-8.9 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 2.8-4.5 2.1/10066=94, 8090=94...(14) Violated in 0 structures by 0.00 A. Peak 10068 from cnoeabs.peaks (0.73, 3.82, 60.49 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 27 + HA SER 97 OK 100 100 100 100 2.8-4.0 8640=90, 10136/8090=35...(19) QD1 LEU 27 + HA SER 97 OK 67 68 100 99 2.1-3.7 2.1/8640=65...(18) QG2 ILE 93 - HA SER 97 far 0 95 0 - 4.9-6.3 QG1 VAL 5 - HA SER 97 far 0 100 0 - 7.1-8.8 QD1 ILE 93 - HA SER 97 far 0 65 0 - 7.9-9.0 HG13 ILE 93 - HA SER 97 far 0 99 0 - 7.9-10.1 QG1 VAL 54 - HA SER 97 far 0 81 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 10069 from cnoeabs.peaks (1.34, 3.82, 60.49 ppm; 4.06 A): 1 out of 5 assignments used, quality = 0.78: QB ALA 25 + HA SER 97 OK 78 100 80 98 3.8-5.2 10073/3.0=61...(11) HB3 LEU 27 - HA SER 97 far 0 100 0 - 5.5-6.8 HG2 LYS 94 - HA SER 97 far 0 100 0 - 7.8-8.9 HG3 LYS 94 - HA SER 97 far 0 61 0 - 7.8-8.4 HB3 LEU 2 - HA SER 97 far 0 99 0 - 9.4-10.6 Violated in 17 structures by 0.43 A. Peak 10070 from cnoeabs.peaks (1.58, 3.82, 60.49 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.85: HG LEU 27 + HA SER 97 OK 63 91 70 99 3.9-5.8 2.1/8640=79, 2.1/8641=41...(14) HB2 LEU 3 + HA SER 97 OK 60 87 70 99 4.3-5.4 3.1/10066=66...(12) HD3 LYS 53 - HA SER 97 far 0 85 0 - 6.0-9.2 HB2 LEU 103 - HA SER 97 far 0 99 0 - 9.2-16.6 HB3 GLU 28 - HA SER 97 far 0 97 0 - 9.2-11.3 HB2 ARG 79 - HA SER 97 far 0 88 0 - 9.4-11.8 HG LEU 103 - HA SER 97 far 0 100 0 - 9.4-17.9 Violated in 15 structures by 0.21 A. Peak 10071 from cnoeabs.peaks (3.16, 3.82, 60.49 ppm; 5.20 A): 0 out of 1 assignment used, quality = 0.00: HB3 TRP 92 - HA SER 97 far 0 61 0 - 9.2-10.0 Violated in 20 structures by 4.42 A. Peak 10072 from cnoeabs.peaks (1.59, 3.98, 63.02 ppm; 5.25 A): 1 out of 6 assignments used, quality = 1.00: HG LEU 27 + HB3 SER 97 OK 100 100 100 100 2.4-5.2 8622/10073=65, ~8640=63...(15) HD2 LYS 94 - HB3 SER 97 far 0 77 0 - 7.6-10.3 HG2 LYS 24 - HB3 SER 97 far 0 99 0 - 7.6-11.3 HD3 LYS 94 - HB3 SER 97 far 0 100 0 - 7.7-10.0 HB3 GLU 28 - HB3 SER 97 far 0 75 0 - 9.1-11.7 HB3 LEU 29 - HB3 SER 97 far 0 100 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 10073 from cnoeabs.peaks (1.33, 3.98, 63.02 ppm; 3.61 A): 1 out of 5 assignments used, quality = 0.94: QB ALA 25 + HB3 SER 97 OK 94 98 100 96 2.1-3.5 10130=44, 10069/3.0=43...(13) HB3 LEU 27 - HB3 SER 97 far 0 95 0 - 4.7-7.3 HG2 LYS 94 - HB3 SER 97 far 0 98 0 - 4.9-8.5 HG LEU 3 - HB3 SER 97 far 0 81 0 - 5.8-8.4 HB3 LEU 2 - HB3 SER 97 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 10074 from cnoeabs.peaks (0.73, 3.98, 63.02 ppm; 3.68 A): 2 out of 7 assignments used, quality = 0.91: QD2 LEU 27 + HB3 SER 97 OK 74 100 75 99 2.2-5.2 8640/3.0=55, 8643=37...(18) QD1 LEU 27 + HB3 SER 97 OK 66 68 100 98 2.0-3.9 2.1/10072=34, ~8640=30...(19) QG2 ILE 93 - HB3 SER 97 poor 19 95 20 - 4.1-5.9 QG1 VAL 5 - HB3 SER 97 far 0 100 0 - 7.5-9.4 QD1 ILE 93 - HB3 SER 97 far 0 65 0 - 7.6-9.1 HG13 ILE 93 - HB3 SER 97 far 0 99 0 - 7.9-9.9 QG1 VAL 54 - HB3 SER 97 far 0 81 0 - 9.8-11.9 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 2.9-5.1 8093/3.0=68, 8092/1.8=66...(12) QD1 LEU 55 - HB3 SER 97 far 0 100 0 - 8.2-10.3 Violated in 1 structures by 0.01 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 4.8-7.0 8089/1.8=99...(11) Violated in 11 structures by 0.16 A. Peak 10077 from cnoeabs.peaks (1.60, 3.95, 63.02 ppm; 5.08 A): 1 out of 6 assignments used, quality = 1.00: HG LEU 27 + HB2 SER 97 OK 100 100 100 100 3.0-4.6 8622/10078=66, ~8640=59...(14) HD2 LYS 94 - HB2 SER 97 far 0 81 0 - 7.2-9.7 HD3 LYS 94 - HB2 SER 97 far 0 100 0 - 7.6-9.7 HG2 LYS 24 - HB2 SER 97 far 0 99 0 - 7.6-10.8 HB3 GLU 28 - HB2 SER 97 far 0 71 0 - 9.4-11.4 HB3 LEU 29 - HB2 SER 97 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 10078 from cnoeabs.peaks (1.32, 3.95, 63.02 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.93: QB ALA 25 + HB2 SER 97 OK 93 97 100 96 2.0-3.1 10130=45, 10069/3.0=40...(12) HB3 LEU 27 - HB2 SER 97 far 0 93 0 - 5.1-6.6 HG2 LYS 94 - HB2 SER 97 far 0 97 0 - 5.1-7.2 HG LEU 3 - HB2 SER 97 far 0 84 0 - 5.2-8.7 HB3 LEU 2 - HB2 SER 97 far 0 99 0 - 9.2-12.2 QB ALA 89 - HB2 SER 97 far 0 97 0 - 9.8-12.0 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 = 0.99: QD2 LEU 27 + HB2 SER 97 OK 94 100 95 99 3.1-4.7 8640/3.0=55, 8643=41...(17) QG2 ILE 93 + HB2 SER 97 OK 68 95 90 79 3.4-4.9 12249/4349=40, 10324=23...(9) QD1 LEU 27 + HB2 SER 97 OK 67 68 100 99 1.9-3.4 2.1/10077=38...(18) QG1 VAL 5 - HB2 SER 97 far 0 100 0 - 6.5-8.8 QD1 ILE 93 - HB2 SER 97 far 0 65 0 - 6.7-8.3 HG13 ILE 93 - HB2 SER 97 far 0 99 0 - 6.9-8.6 QG1 VAL 54 - HB2 SER 97 far 0 81 0 - 9.8-11.2 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 = 0.79: QD1 LEU 3 + HB2 SER 97 OK 79 84 95 100 2.6-5.6 8092=75, 2.1/8089=68...(10) QD1 LEU 55 - HB2 SER 97 far 0 100 0 - 7.4-9.5 Violated in 6 structures by 0.10 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 5.1-6.6 2.1/10080=98...(9) Violated in 9 structures by 0.18 A. Peak 10082 from cnoeabs.peaks (7.03, 3.82, 60.49 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: QD PHE 96 + HA SER 97 OK 100 100 100 100 3.9-4.4 7573/3.0=89...(16) HZ PHE 96 - HA SER 97 far 3 68 5 - 6.4-7.7 HZ3 TRP 92 - HA SER 97 far 0 65 0 - 9.0-14.7 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 96 100 100 4.6-6.1 4.5/4356=88...(8) Violated in 9 structures by 0.01 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 2.8-4.2 8094=98, 12051/1.8=90...(11) QD1 LEU 55 - HA3 GLY 100 far 0 94 0 - 7.0-11.3 Violated in 0 structures by 0.00 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 2.6-4.3 8091=94, 2.1/10089=78...(12) Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (2.01, 3.87, 45.30 ppm; 5.73 A): 9 out of 18 assignments used, quality = 1.00: HB3 GLU 99 + HA2 GLY 100 OK 82 84 100 98 4.7-6.2 ~10097=58, 3.0/10098=54...(10) HB2 GLU 99 + HA2 GLY 100 OK 72 73 100 98 4.6-5.6 ~10097=58, 3.0/10098=54...(10) QE MET 1 + HA2 GLY 100 OK 57 68 100 84 3.6-5.6 8025/12051=44...(7) HB3 GLU 99 + HA2 GLY 101 OK 50 63 90 89 4.0-8.2 ~10099=51, ~10103=31...(6) HB3 MET 1 + HA2 GLY 100 OK 50 99 55 91 4.7-8.8 8013/12051=67...(5) HB2 GLU 99 + HA2 GLY 101 OK 45 54 95 89 4.0-7.6 ~10099=51, ~10103=31...(6) HB3 GLU 99 + HA3 GLY 101 OK 27 34 90 89 4.0-7.7 ~10099=51, ~10103=31...(6) HB2 GLU 99 + HA3 GLY 101 OK 23 28 90 89 3.5-6.8 ~10099=51, ~10103=31...(6) QE MET 1 + HA2 GLY 101 OK 21 49 100 42 2.3-6.2 8031=17, 8031/1.8=15...(6) QE MET 1 - HA3 GLY 101 poor 10 26 95 42 2.2-6.9 8031/1.8=16, 8031=16...(6) HB3 MET 1 - HA2 GLY 101 far 4 80 5 - 5.8-11.5 HB3 GLU 98 - HA2 GLY 100 far 4 73 5 - 6.6-7.7 HB2 GLU 98 - HA2 GLY 100 far 4 71 5 - 6.6-7.6 HB3 MET 1 - HA3 GLY 101 far 2 45 5 - 4.6-12.6 HB3 GLU 98 - HA2 GLY 101 far 0 54 0 - 7.1-10.7 HB3 GLU 98 - HA3 GLY 101 far 0 28 0 - 7.8-10.7 HB2 GLU 98 - HA2 GLY 101 far 0 52 0 - 8.0-11.2 HB2 GLU 98 - HA3 GLY 101 far 0 27 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 10093 from cnoeabs.peaks (0.45, 3.87, 45.30 ppm; 4.72 A): 1 out of 8 assignments used, quality = 0.98: QD1 LEU 3 + HA2 GLY 100 OK 98 98 100 100 2.5-5.1 12051=98, 10089/1.8=78...(12) QD1 LEU 3 - HA2 GLY 101 far 12 77 15 - 5.4-7.7 QD1 LEU 55 - HA2 GLY 101 far 4 77 5 - 4.9-12.3 QD1 LEU 3 - HA3 GLY 101 far 2 43 5 - 5.6-8.2 QD1 LEU 55 - HA3 GLY 101 far 0 43 0 - 6.1-12.0 QD1 LEU 55 - HA2 GLY 100 far 0 97 0 - 7.3-12.0 HG2 ARG 81 - HA3 GLY 101 far 0 37 0 - 8.6-16.7 HG2 ARG 81 - HA2 GLY 101 far 0 68 0 - 9.3-17.5 Violated in 2 structures by 0.02 A. Peak 10094 from cnoeabs.peaks (0.26, 3.87, 45.30 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 3 + HA2 GLY 100 OK 100 100 100 100 2.9-5.6 2.1/12051=85...(15) QD2 LEU 3 + HA2 GLY 101 OK 36 82 50 87 4.3-7.1 ~10104=39, 10105/3.0=36...(11) QD2 LEU 3 - HA3 GLY 101 poor 18 47 45 86 3.7-7.2 ~10104=39, 10105/3.0=36...(11) Violated in 1 structures by 0.01 A. Peak 10095 from cnoeabs.peaks (7.04, 3.89, 45.04 ppm; 5.46 A): 1 out of 9 assignments used, quality = 0.21: QD PHE 96 + HA3 GLY 101 OK 21 99 35 60 4.4-10.1 2.2/10096=33, ~10096=20...(5) QD PHE 96 - HA2 GLY 101 poor 18 63 50 56 3.4-10.2 ~10096=26, 2.2/10096=26...(5) HZ PHE 96 - HA3 GLY 101 poor 18 88 20 - 5.5-11.8 HZ PHE 96 - HA2 GLY 101 poor 15 52 30 - 4.0-12.1 QD PHE 96 - HA2 GLY 100 poor 14 45 30 - 5.1-8.4 HZ PHE 96 - HA2 GLY 100 far 2 36 5 - 6.2-10.0 HZ3 TRP 92 - HA3 GLY 101 far 0 87 0 - 6.8-14.8 HZ3 TRP 92 - HA2 GLY 101 far 0 50 0 - 7.8-13.6 HZ3 TRP 92 - HA2 GLY 100 far 0 36 0 - 9.9-15.9 Violated in 17 structures by 1.83 A. Peak 10096 from cnoeabs.peaks (6.97, 3.89, 45.04 ppm; 5.75 A): 2 out of 6 assignments used, quality = 0.60: QE PHE 96 + HA3 GLY 101 OK 41 95 50 87 3.6-10.3 2.2/10095=46, ~10095=30...(10) QE PHE 96 + HA2 GLY 101 OK 32 58 70 80 2.5-10.6 2.2/10095=38, ~10095=36...(11) QE PHE 96 - HA2 GLY 100 poor 16 41 50 78 5.4-8.7 8074/10107=56...(8) HD21 ASN 51 - HA2 GLY 101 far 0 65 0 - 6.7-12.8 HD21 ASN 51 - HA3 GLY 101 far 0 100 0 - 7.2-13.5 HD21 ASN 51 - HA2 GLY 100 far 0 47 0 - 9.1-11.9 Violated in 9 structures by 0.48 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 99 100 100 100 4.5-5.4 10098/1.8=79...(11) HA MET 1 - HA3 GLY 100 far 4 81 5 - 5.8-10.6 HA GLU 104 - HA3 GLY 100 far 0 100 0 - 9.2-14.1 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 = 0.76: HA GLU 99 + HA2 GLY 100 OK 76 78 100 97 4.6-5.0 10097/1.8=61, ~7619=47...(11) HA GLU 99 - HA3 GLY 101 poor 18 61 30 - 5.1-7.3 HA GLU 99 - HA2 GLY 101 far 15 98 15 - 5.4-7.6 HA GLU 104 - HA3 GLY 101 far 6 59 10 - 5.2-11.3 HA GLU 104 - HA2 GLY 101 far 5 96 5 - 5.9-10.6 HA GLU 104 - HA2 GLY 100 far 0 76 0 - 8.2-14.3 Violated in 0 structures by 0.00 A. Peak 10100 from cnoeabs.peaks (1.99, 3.89, 45.04 ppm; 5.48 A): 3 out of 6 assignments used, quality = 0.90: QE MET 1 + HA3 GLY 101 OK 71 99 90 80 2.2-6.9 8031/1.8=26...(10) QE MET 1 + HA2 GLY 101 OK 43 62 100 69 2.3-6.2 8031=24, 8031/1.8=24...(10) QE MET 1 + HA2 GLY 100 OK 42 44 100 94 3.6-5.6 8025/10107=63...(9) HB3 MET 1 - HA2 GLY 100 poor 15 42 35 - 4.7-8.8 HB3 MET 1 - HA3 GLY 101 far 5 96 5 - 4.6-12.6 HB3 MET 1 - HA2 GLY 101 far 3 59 5 - 5.8-11.5 Violated in 0 structures by 0.00 A. Peak 10101 from cnoeabs.peaks (1.55, 3.89, 45.04 ppm; 5.72 A): 3 out of 25 assignments used, quality = 0.94: HD3 LYS 53 + HA3 GLY 101 OK 79 100 85 93 2.0-7.4 3.0/12004=33...(14) HD3 LYS 53 + HA2 GLY 101 OK 55 65 95 90 2.0-8.0 ~12004=26, 9214/10096=18...(17) HD3 LYS 53 + HA2 GLY 100 OK 32 47 85 82 3.2-8.9 9194/10107=56...(8) HB2 LEU 103 - HA2 GLY 101 poor 15 33 45 - 4.1-9.2 HG3 ARG 79 - HA3 GLY 101 far 15 98 15 - 4.4-11.8 HG2 ARG 79 - HA3 GLY 101 far 15 98 15 - 3.6-13.0 HB2 LEU 103 - HA3 GLY 101 poor 12 61 35 58 5.1-9.1 4.0/11029=28...(6) HG LEU 103 - HA3 GLY 101 poor 12 68 30 58 5.7-9.9 5.3/11029=23...(6) HG LEU 103 - HA2 GLY 101 poor 11 37 30 - 5.9-10.4 HB3 LEU 103 - HA3 GLY 101 far 9 87 10 - 5.8-9.3 HB2 LEU 3 - HA2 GLY 100 far 5 46 10 - 5.6-8.7 HG2 ARG 79 - HA2 GLY 101 lone 3 61 40 13 4.6-13.7 8705/10095=10, 14678/10096=2 HG3 ARG 79 - HA2 GLY 101 lone 3 61 35 12 3.5-12.5 8705/10095=8, 14678/10096=2 HB3 LEU 103 - HA2 GLY 101 far 3 50 5 - 5.2-9.1 HB3 LEU 103 - HA2 GLY 100 far 2 36 5 - 6.4-12.6 HG LEU 103 - HA2 GLY 100 far 1 26 5 - 6.4-13.5 HB2 LEU 103 - HA2 GLY 100 far 1 23 5 - 5.6-12.8 HB2 LEU 3 - HA3 GLY 101 far 0 100 0 - 7.0-11.7 HG3 ARG 79 - HA2 GLY 100 far 0 44 0 - 7.6-13.7 HB2 LEU 3 - HA2 GLY 101 far 0 64 0 - 7.7-11.1 HG2 ARG 79 - HA2 GLY 100 far 0 43 0 - 8.3-13.1 HG LEU 2 - HA3 GLY 101 far 0 73 0 - 9.4-15.2 HG LEU 2 - HA2 GLY 101 far 0 41 0 - 9.4-14.9 HG12 ILE 56 - HA2 GLY 101 far 0 58 0 - 9.7-18.5 HG LEU 2 - HA2 GLY 100 far 0 28 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 10102 from cnoeabs.peaks (1.48, 3.89, 45.04 ppm; 5.38 A): 7 out of 16 assignments used, quality = 0.99: HD2 LYS 53 + HA3 GLY 101 OK 79 96 90 92 2.5-7.5 1.8/10101=30...(14) HG3 LYS 53 + HA3 GLY 101 OK 51 100 60 85 4.4-9.4 3.9/12004=26...(11) HD2 LYS 53 + HA2 GLY 101 OK 49 58 95 88 2.7-7.7 ~10101=24, ~12004=23...(16) HG2 LYS 53 + HA3 GLY 101 OK 46 98 55 85 4.7-9.3 3.9/12004=26...(11) HG3 LYS 53 + HA2 GLY 101 OK 42 64 90 73 4.3-10.1 ~10101=20, 3.0/10101=18...(12) HG2 LYS 53 + HA2 GLY 101 OK 27 61 60 72 5.0-9.9 ~10101=20, 3.0/10101=18...(12) HD2 LYS 53 + HA2 GLY 100 OK 22 42 65 81 3.5-8.5 9195/10107=42...(9) HG3 LYS 53 - HA2 GLY 100 poor 16 46 35 - 5.2-9.4 HG2 LYS 53 - HA2 GLY 100 far 4 44 10 - 5.7-9.2 HB2 LEU 27 - HA2 GLY 100 far 0 40 0 - 9.1-12.0 HG13 ILE 52 - HA2 GLY 101 far 0 57 0 - 9.2-14.7 HG LEU 2 - HA3 GLY 101 far 0 57 0 - 9.4-15.2 HG LEU 2 - HA2 GLY 101 far 0 31 0 - 9.4-14.9 HG LEU 2 - HA2 GLY 100 far 0 21 0 - 9.7-12.7 HG13 ILE 52 - HA3 GLY 101 far 0 94 0 - 9.7-14.4 HG13 ILE 52 - HA2 GLY 100 far 0 40 0 - 10.0-12.7 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 6 assignments used, quality = 1.00: HB3 GLU 99 + HA3 GLY 100 OK 87 87 100 100 4.5-6.2 3.0/10097=87, ~10098=75...(10) HB2 GLU 99 + HA3 GLY 100 OK 77 77 100 100 4.2-5.7 3.0/10097=87, ~10098=75...(10) QE MET 1 + HA3 GLY 100 OK 58 63 100 91 3.3-5.5 ~10353=60, 8101/10090=48...(4) HB3 MET 1 + HA3 GLY 100 OK 57 99 60 96 3.8-9.7 8013/8094=72, ~10353=63...(4) HB2 GLU 98 + HA3 GLY 100 OK 42 75 60 93 6.7-8.0 ~11026=66, ~7618=59...(7) HB3 GLU 98 + HA3 GLY 100 OK 26 77 35 96 7.0-8.0 ~11026=66, ~7618=59...(10) Violated in 0 structures by 0.00 A. Peak 10107 from cnoeabs.peaks (0.45, 3.89, 45.04 ppm; 4.79 A): 1 out of 8 assignments used, quality = 0.43: QD1 LEU 3 + HA2 GLY 100 OK 43 43 100 100 2.5-5.1 12051=84, 10089/1.8=80...(15) QD1 LEU 3 - HA3 GLY 101 far 10 98 10 - 5.6-8.2 QD1 LEU 3 - HA2 GLY 101 far 9 61 15 - 5.4-7.7 QD1 LEU 55 - HA2 GLY 101 far 3 60 5 - 4.9-12.3 QD1 LEU 55 - HA3 GLY 101 far 0 97 0 - 6.1-12.0 QD1 LEU 55 - HA2 GLY 100 far 0 43 0 - 7.3-12.0 HG2 ARG 81 - HA3 GLY 101 far 0 90 0 - 8.6-16.7 HG2 ARG 81 - HA2 GLY 101 far 0 53 0 - 9.3-17.5 Violated in 2 structures by 0.01 A. Peak 10108 from cnoeabs.peaks (0.25, 3.89, 45.04 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.74: QD2 LEU 3 + HA2 GLY 100 OK 43 46 95 100 2.9-5.6 10090/1.8=70...(16) QD2 LEU 3 + HA3 GLY 101 OK 36 99 40 91 3.7-7.2 ~10104=35, 10105/3.0=34...(14) QD2 LEU 3 + HA2 GLY 101 OK 28 64 50 88 4.3-7.1 ~10104=35, 10105/3.0=34...(14) Violated in 1 structures by 0.01 A. Peak 10109 from cnoeabs.peaks (0.45, 3.81, 63.54 ppm; 5.41 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 55 - HB3 SER 102 far 15 97 15 - 2.8-13.0 HG2 ARG 81 - HB3 SER 102 far 4 90 5 - 4.9-16.5 QD1 LEU 3 - HB3 SER 102 far 0 98 0 - 7.7-11.3 Violated in 19 structures by 2.22 A. Peak 10110 from cnoeabs.peaks (0.44, 3.89, 63.54 ppm; 6.00 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 55 - HB2 SER 102 far 15 100 15 - 3.8-11.8 HG2 ARG 81 - HB2 SER 102 far 5 96 5 - 4.6-16.3 QD1 LEU 3 - HB2 SER 102 far 0 92 0 - 7.5-11.5 Violated in 17 structures by 1.68 A. Peak 10114 from cnoeabs.peaks (1.55, 4.38, 58.19 ppm; 5.16 A): 3 out of 8 assignments used, quality = 0.97: HB3 LEU 103 + HA SER 102 OK 74 77 100 95 4.8-5.9 4.0/7645=85, ~10115=36...(6) HB2 LEU 103 + HA SER 102 OK 67 73 95 96 3.8-6.2 4.0/7645=85, ~10115=36...(7) HG LEU 103 + HA SER 102 OK 65 79 95 87 3.1-6.8 5.3/7645=66, ~10124=31...(6) HD3 LYS 53 - HA SER 102 far 15 100 15 - 3.9-10.6 HG3 ARG 79 - HA SER 102 far 9 94 10 - 4.1-13.6 HG2 ARG 79 - HA SER 102 far 5 93 5 - 5.7-15.2 HB2 LEU 3 - HA SER 102 far 0 100 0 - 9.5-14.4 HG12 ILE 56 - HA SER 102 far 0 90 0 - 9.8-20.0 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 1 assignment used, quality = 0.97: HB3 SER 102 + HA LEU 103 OK 97 98 100 100 4.2-5.7 7647/3.0=89, ~7646=76...(5) Violated in 0 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 2.9-4.0 2.1/8470=60, ~8469=58...(21) QG1 VAL 32 - HG13 ILE 15 far 0 92 0 - 7.6-9.1 HG13 ILE 8 - HG13 ILE 15 far 0 100 0 - 7.8-9.1 QD1 LEU 38 - HG13 ILE 15 far 0 82 0 - 9.1-12.7 Violated in 0 structures by 0.00 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 99 100 100 99 1.9-4.2 3.6/8516=46...(16) HD3 ARG 19 + QG2 ILE 15 OK 99 100 100 99 2.1-4.6 3.6/8516=46...(16) 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 3.4-3.9 644/2.1=82, 8446/3.0=67...(17) HA GLU 35 - QG2 ILE 8 far 2 37 5 - 4.7-6.3 HA ALA 67 - QG2 ILE 8 far 0 70 0 - 6.3-7.5 HA LEU 38 - QG2 ILE 8 far 0 55 0 - 6.5-7.3 HA LYS 12 - QG2 ILE 8 far 0 70 0 - 8.8-9.5 HA ALA 22 - QG2 ILE 15 far 0 88 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10122 from cnoeabs.peaks (4.03, 0.81, 17.32 ppm; 4.24 A): 1 out of 5 assignments used, quality = 0.97: HA GLU 16 + QG2 ILE 15 OK 97 97 100 100 2.8-3.3 8530=93, 3.0/660=69...(27) HB3 SER 59 - QG2 ILE 8 poor 17 69 25 - 4.1-6.3 HA GLU 17 - QG2 ILE 15 far 0 90 0 - 6.4-6.7 HA LYS 20 - QG2 ILE 15 far 0 91 0 - 7.0-8.3 HB3 SER 59 - QG2 ILE 15 far 0 100 0 - 8.9-10.1 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 = 0.92: QG2 THR 31 + QG2 ILE 15 OK 92 100 100 92 1.8-2.0 8467/3.0=40, 8730=25...(19) QG2 THR 34 - QG2 ILE 8 far 0 35 0 - 4.8-6.1 QG2 THR 31 - QG2 ILE 8 far 0 70 0 - 5.6-6.4 HB2 LEU 29 - QG2 ILE 15 far 0 87 0 - 6.0-7.4 HG3 LYS 82 - QG2 ILE 8 far 0 70 0 - 7.2-8.6 QG2 THR 34 - QG2 ILE 15 far 0 59 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 10124 from cnoeabs.peaks (3.88, 0.88, 24.80 ppm; 5.21 A): 1 out of 12 assignments used, quality = 0.46: HB2 SER 102 + QD1 LEU 103 OK 46 58 100 80 4.1-5.4 7646/4.7=63...(4) HA3 GLY 101 - QD1 LEU 103 poor 12 59 55 36 3.8-8.3 11029/4.7=20...(5) HA2 GLY 101 - QD1 LEU 103 poor 11 61 50 37 4.1-8.4 11029/4.7=24...(4) HA2 GLY 100 - QD1 LEU 103 far 6 61 10 - 4.3-10.7 HB3 SER 49 - QD1 LEU 2 far 0 91 0 - 6.6-9.0 HA2 GLY 100 - QD1 LEU 2 far 0 98 0 - 8.8-11.2 HA3 GLY 101 - QD1 LEU 2 far 0 96 0 - 9.2-12.7 HB2 SER 102 - QD1 LEU 2 far 0 96 0 - 9.2-16.8 HA2 GLY 101 - QD1 LEU 2 far 0 98 0 - 9.4-12.1 HA ALA 71 - QD1 LEU 103 far 0 40 0 - 9.4-20.8 HA GLU 43 - QD1 LEU 2 far 0 100 0 - 9.6-12.9 HA LYS 94 - QD1 LEU 103 far 0 61 0 - 9.8-18.0 Violated in 11 structures by 0.07 A. Peak 10125 from cnoeabs.peaks (3.88, 0.81, 23.49 ppm; 6.34 A): 2 out of 12 assignments used, quality = 0.75: HB2 SER 102 + QD2 LEU 103 OK 53 54 100 97 3.8-6.7 7646/4.7=85...(5) HB3 SER 49 + QD2 LEU 2 OK 48 84 65 88 6.2-8.0 4.3/9104=33, 3.9/9047=31...(9) HA2 GLY 101 - QD2 LEU 103 poor 20 50 70 56 5.2-9.0 11029/4.7=35...(4) HA3 GLY 101 - QD2 LEU 103 poor 18 55 60 55 4.9-8.5 11029/4.7=30...(5) HA3 GLY 101 - QD2 LEU 2 far 5 99 5 - 6.6-10.7 HA2 GLY 101 - QD2 LEU 2 far 5 95 5 - 6.9-10.4 HA2 GLY 100 - QD2 LEU 103 far 3 50 5 - 6.9-11.3 HA2 GLY 100 - QD2 LEU 2 far 0 95 0 - 7.3-9.2 HB2 SER 102 - QD2 LEU 2 far 0 99 0 - 7.7-14.8 HB3 SER 49 - QD2 LEU 103 far 0 42 0 - 8.3-20.0 HA ALA 71 - QD2 LEU 103 far 0 30 0 - 9.8-19.1 HA GLU 43 - QD2 LEU 2 far 0 100 0 - 10.0-11.6 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 4 assignments used, quality = 0.50: HD21 ASN 51 + QD1 LEU 2 OK 50 100 50 100 6.0-8.9 1.7/9126=93...(11) HD21 ASN 51 - QD1 LEU 103 far 6 65 10 - 6.0-15.0 QE PHE 96 - QD1 LEU 103 lone 2 54 40 10 5.3-12.5 10096/10124=4, 10096/10124=3 QE PHE 96 - QD1 LEU 2 far 0 92 0 - 7.7-8.7 Violated in 17 structures by 0.96 A. Peak 10128 from cnoeabs.peaks (6.96, 0.81, 23.49 ppm; 5.51 A): 1 out of 4 assignments used, quality = 0.58: HD21 ASN 51 + QD2 LEU 2 OK 58 97 60 100 5.4-7.5 1.7/9127=79, ~9126=68...(13) QE PHE 96 - QD2 LEU 2 poor 20 100 20 - 5.9-7.5 QE PHE 96 - QD2 LEU 103 far 3 56 5 - 6.2-11.7 HD21 ASN 51 - QD2 LEU 103 far 3 52 5 - 5.9-16.9 Violated in 19 structures by 0.80 A. Peak 10130 from cnoeabs.peaks (3.97, 1.34, 18.52 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 97 + QB ALA 25 OK 94 95 100 99 2.0-3.1 10078=75, 1.8/10073=64...(12) HB3 SER 97 + QB ALA 25 OK 93 94 100 99 2.1-3.5 10073=74, 1.8/10078=63...(13) 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 3.8-5.5 10073/2.1=96, ~10078=84...(10) HB2 SER 97 + HA ALA 25 OK 89 90 100 100 4.1-5.6 10078/2.1=85, ~10073=84...(9) 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 10 assignments used, quality = 0.99: HB2 LEU 3 + QD2 LEU 27 OK 99 100 100 100 1.9-3.4 8108=64, 1.8/10133=60...(25) HB3 GLU 28 - QD2 LEU 27 far 0 100 0 - 4.8-5.6 HD3 LYS 53 - QD2 LEU 27 far 0 100 0 - 6.3-8.7 HB3 LEU 29 - QD2 LEU 27 far 0 61 0 - 7.1-8.0 HG2 LYS 24 - QD2 LEU 27 far 0 81 0 - 8.2-10.3 HG3 ARG 79 - QD2 LEU 27 far 0 88 0 - 8.5-12.5 HG2 ARG 79 - QD2 LEU 27 far 0 87 0 - 9.0-11.3 HG3 ARG 30 - QD2 LEU 27 far 0 81 0 - 9.0-12.0 HG LEU 6 - QD2 LEU 27 far 0 71 0 - 9.1-10.2 HG2 ARG 19 - QD2 LEU 27 far 0 82 0 - 10.0-12.3 Violated in 1 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 = 1.00: HB3 LEU 3 + QD2 LEU 27 OK 100 100 100 100 1.9-3.5 1.8/10132=83...(21) HB2 LEU 29 - QD2 LEU 27 far 0 96 0 - 6.1-7.3 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 2.7-3.8 10133/2.1=85, ~10132=65...(21) HB2 LEU 29 + QD1 LEU 27 OK 34 99 45 76 4.7-5.8 8191/10484=40...(8) HB2 LEU 6 - QD1 LEU 27 far 0 75 0 - 9.1-10.5 QG2 THR 31 - QD1 LEU 27 far 0 99 0 - 9.5-10.4 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 3.2-4.5 10136/2.1=96...(21) 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 3.2-3.9 3.1/10132=68...(21) Violated in 0 structures by 0.00 A. Peak 10137 from cnoeabs.peaks (0.47, 0.77, 26.59 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 3 + QD1 LEU 27 OK 100 100 100 100 1.9-3.6 2.1/10135=59...(27) QD1 LEU 55 - QD1 LEU 27 far 0 77 0 - 5.6-7.1 HG2 ARG 81 - QD1 LEU 27 far 0 61 0 - 9.6-11.6 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 6 assignments used, quality = 1.00: HB2 PHE 96 + QD1 LEU 27 OK 100 100 100 100 2.9-3.7 2.4/8645=99, ~8647=76...(15) HB3 ASN 26 + QD1 LEU 27 OK 39 79 50 98 5.2-6.7 6436/4.7=56, 8631/2.1=42...(10) HD3 ARG 79 - QD1 LEU 27 far 0 90 0 - 6.8-10.9 HB2 TRP 92 - QD1 LEU 27 far 0 100 0 - 7.6-8.4 HD2 ARG 79 - QD1 LEU 27 far 0 87 0 - 8.0-10.0 HD3 ARG 30 - QD1 LEU 27 far 0 98 0 - 9.2-12.0 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 5 assignments used, quality = 1.00: HB3 ASN 26 + QD2 LEU 27 OK 96 99 100 98 3.1-5.2 6436/4.7=59, 8631=52...(10) HB2 PHE 96 + QD2 LEU 27 OK 91 91 100 100 4.9-6.0 2.4/8647=91, ~8645=67...(11) HD3 ARG 79 - QD2 LEU 27 far 0 100 0 - 8.0-11.7 HD2 ARG 79 - QD2 LEU 27 far 0 100 0 - 9.0-10.8 HD3 ARG 30 - QD2 LEU 27 far 0 100 0 - 9.3-12.4 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 3.6-4.6 4.0/10485=76...(21) Violated in 0 structures by 0.00 A. Peak 10141 from cnoeabs.peaks (1.55, 0.65, 26.64 ppm; 3.97 A): 2 out of 13 assignments used, quality = 0.88: HB ILE 7 + QD1 LEU 29 OK 78 85 100 91 2.9-3.7 ~10501=29, 245/2.1=28...(14) HG2 ARG 19 + QD1 LEU 29 OK 46 61 75 100 2.9-5.4 1.8/10499=55, ~8673=51...(25) HG LEU 6 - QD1 LEU 29 far 0 90 0 - 6.1-6.9 HG3 ARG 30 - QD1 LEU 29 far 0 95 0 - 6.2-8.1 HB3 GLU 28 - QD1 LEU 29 far 0 96 0 - 7.1-7.8 HG3 LYS 90 - QD1 LEU 29 far 0 63 0 - 7.1-8.4 HG3 LYS 24 - QD1 LEU 29 far 0 59 0 - 7.4-10.8 HG12 ILE 56 - QD1 LEU 29 far 0 96 0 - 7.7-9.6 HB2 LEU 14 - QD1 LEU 29 far 0 85 0 - 7.7-9.3 HB2 LEU 3 - QD1 LEU 29 far 0 100 0 - 8.0-8.9 HG2 LYS 24 - QD1 LEU 29 far 0 59 0 - 8.6-10.3 HG2 ARG 79 - QD1 LEU 29 far 0 98 0 - 9.2-11.9 HG3 ARG 79 - QD1 LEU 29 far 0 98 0 - 9.7-12.6 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 3.5-4.3 8455=99, 3.2/10123=98...(14) 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 = 0.99: HD2 ARG 19 + QG2 THR 31 OK 88 96 100 92 2.6-5.9 1.8/8524=47, 8524=47...(6) HD3 ARG 19 + QG2 THR 31 OK 88 96 100 92 4.0-6.6 1.8/8524=48, 8524=47...(5) Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (2.11, 4.41, 60.95 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 37 + HA VAL 32 OK 100 100 100 100 3.9-4.7 8827=61, 8849/3.2=59...(21) HB3 GLU 37 + HA VAL 32 OK 93 93 100 100 2.6-3.4 1.8/8823=64, 8839/3.2=57...(22) HB3 LEU 38 - HA VAL 32 far 3 70 5 - 5.0-7.8 HB3 GLU 35 - HA VAL 32 far 0 84 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 10145 from cnoeabs.peaks (1.50, 4.41, 60.95 ppm; 4.50 A): 1 out of 6 assignments used, quality = 0.98: HG3 LYS 33 + HA VAL 32 OK 98 100 100 98 3.5-3.9 6523/6515=80...(8) HG3 ARG 30 - HA VAL 32 far 0 84 0 - 6.3-8.7 HD3 LYS 40 - HA VAL 32 far 0 59 0 - 6.7-9.1 HG LEU 6 - HA VAL 32 far 0 91 0 - 7.0-8.2 HB ILE 7 - HA VAL 32 far 0 94 0 - 8.0-8.4 HG12 ILE 56 - HA VAL 32 far 0 82 0 - 8.2-12.1 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...(10) 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 = 0.99: QE TYR 41 + HA VAL 32 OK 95 95 100 100 2.7-3.9 8896=66, 8910/3.2=64...(18) QD TYR 41 + HA VAL 32 OK 89 99 90 100 4.1-5.3 2.2/8896=59...(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 98 100 100 98 2.2-2.9 2.2/8910=51...(29) QE TYR 41 + QG2 VAL 32 OK 88 91 100 97 1.9-3.7 8910=56, 8909/2.1=28...(24) HD21 ASN 60 - QG2 VAL 32 far 0 61 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. Peak 10153 from cnoeabs.peaks (7.80, 1.94, 34.49 ppm; 5.66 A): 2 out of 7 assignments used, quality = 0.99: H SER 9 + HB VAL 32 OK 99 99 100 100 4.7-6.0 8346/6509=82...(9) H SER 9 + HB2 LYS 33 OK 22 68 40 81 5.4-7.7 8315/2.8=81 H SER 9 - HB3 LYS 33 poor 18 64 35 81 5.8-8.3 8315/2.8=81 H TYR 41 - HB VAL 32 far 0 91 0 - 7.3-8.4 HE ARG 30 - HB VAL 32 far 0 98 0 - 7.4-11.6 H LYS 66 - HB VAL 32 far 0 100 0 - 9.9-11.8 H TYR 41 - HB3 LYS 33 far 0 54 0 - 10.0-12.4 Violated in 2 structures by 0.01 A. Peak 10154 from cnoeabs.peaks (5.47, 0.83, 22.02 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 6 + QG2 VAL 32 OK 100 100 100 100 3.4-4.3 3.0/10337=80...(13) Violated in 0 structures by 0.00 A. Peak 10155 from cnoeabs.peaks (2.10, 0.83, 22.02 ppm; 4.20 A): 3 out of 8 assignments used, quality = 1.00: HG3 GLU 37 + QG2 VAL 32 OK 93 98 95 100 4.1-5.2 8849/2.1=69, 1.8/8845=58...(24) HB3 LEU 38 + QG2 VAL 32 OK 86 87 100 99 2.0-4.7 3.0/10162=70...(17) HB3 GLU 37 + QG2 VAL 32 OK 79 79 100 100 2.2-3.7 ~8836=56, 8839/2.1=55...(24) HB3 GLU 35 - QG2 VAL 32 far 0 96 0 - 7.1-7.7 HG2 GLU 44 - QG2 VAL 32 far 0 61 0 - 7.3-9.5 HG2 GLU 28 - QG2 VAL 32 far 0 71 0 - 8.2-11.6 HG3 GLU 28 - QG2 VAL 32 far 0 71 0 - 8.2-12.0 HB3 GLU 43 - QG2 VAL 32 far 0 73 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (2.09, 0.91, 23.40 ppm; 3.31 A): 3 out of 9 assignments used, quality = 1.00: HG3 GLU 37 + QG1 VAL 32 OK 95 95 100 100 2.8-4.1 8849=44, 3.0/8836=43...(26) HB3 LEU 38 + QG1 VAL 32 OK 71 92 80 97 1.9-4.5 3.8/8932=40, 1.8/8944=36...(21) HB3 GLU 37 + QG1 VAL 32 OK 71 71 100 100 2.8-3.4 1.8/8836=57, 3.0/8849=37...(25) HB3 GLU 35 - QG1 VAL 32 far 0 98 0 - 5.3-5.7 HB3 GLU 62 - QG1 VAL 32 far 0 100 0 - 8.9-12.1 HB2 GLU 69 - QG1 VAL 32 far 0 70 0 - 9.2-10.8 HB2 LEU 64 - QG1 VAL 32 far 0 92 0 - 9.4-11.0 HB3 GLU 43 - QG1 VAL 32 far 0 81 0 - 9.4-10.6 HG2 GLU 69 - QG1 VAL 32 far 0 70 0 - 9.8-11.8 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 2.5-4.3 1.8/8849=84, 3.0/8836=75...(22) HG2 GLU 63 - QG1 VAL 32 far 0 68 0 - 5.8-8.4 HG3 GLU 62 - QG1 VAL 32 far 0 100 0 - 7.9-12.3 HG2 GLU 62 - QG1 VAL 32 far 0 100 0 - 8.1-11.4 HB2 TYR 4 - QG1 VAL 32 far 0 75 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10158 from cnoeabs.peaks (2.09, 1.94, 34.49 ppm; 4.06 A): 1 out of 12 assignments used, quality = 0.37: HB3 LEU 38 + HB VAL 32 OK 37 96 40 97 3.7-6.8 ~10162=38, ~8944=30...(18) HG3 GLU 37 - HB3 LYS 33 poor 20 53 55 68 3.5-6.5 8814/4.4=33, 8816/4.1=33...(5) HG3 GLU 37 - HB2 LYS 33 poor 16 57 40 68 4.0-6.5 8814/4.4=33, 8816/4.1=33...(5) HB3 GLU 37 - HB VAL 32 far 9 61 15 - 4.5-5.6 HB3 GLU 37 - HB3 LYS 33 far 0 33 0 - 5.2-7.4 HB3 GLU 37 - HB2 LYS 33 far 0 36 0 - 5.6-7.8 HG3 GLU 37 - HB VAL 32 far 0 90 0 - 5.8-6.9 HB3 LEU 38 - HB2 LYS 33 far 0 64 0 - 7.8-11.4 HB3 LEU 38 - HB3 LYS 33 far 0 60 0 - 7.8-11.7 HB3 GLU 35 - HB VAL 32 far 0 100 0 - 8.2-9.1 HB3 GLU 35 - HB2 LYS 33 far 0 69 0 - 8.7-10.8 HB3 GLU 35 - HB3 LYS 33 far 0 64 0 - 9.0-10.8 Violated in 17 structures by 1.35 A. Peak 10159 from cnoeabs.peaks (1.52, 0.83, 22.02 ppm; 3.77 A): 1 out of 10 assignments used, quality = 0.97: HG LEU 6 + QG2 VAL 32 OK 97 100 100 97 3.9-4.5 3.0/10337=63...(14) HG12 ILE 56 - QG2 VAL 32 far 10 98 10 - 4.5-7.7 HG3 ARG 30 - QG2 VAL 32 far 0 98 0 - 5.0-6.5 HG2 LYS 33 - QG2 VAL 32 far 0 77 0 - 5.1-5.6 HG3 LYS 33 - QG2 VAL 32 far 0 97 0 - 5.2-5.6 HB ILE 7 - QG2 VAL 32 far 0 100 0 - 5.6-6.6 HG LEU 57 - QG2 VAL 32 far 0 95 0 - 8.3-9.5 HG3 LYS 66 - QG2 VAL 32 far 0 85 0 - 8.7-10.9 HG2 LYS 66 - QG2 VAL 32 far 0 82 0 - 9.5-11.4 HB3 LEU 64 - QG2 VAL 32 far 0 81 0 - 9.6-10.8 Violated in 20 structures by 0.33 A. Peak 10160 from cnoeabs.peaks (1.66, 0.83, 22.02 ppm; 3.86 A): 1 out of 8 assignments used, quality = 0.99: HB3 LEU 6 + QG2 VAL 32 OK 99 99 100 100 2.0-4.2 1.8/10337=85...(16) HB2 LYS 40 - QG2 VAL 32 far 0 98 0 - 4.9-7.2 HB3 LYS 40 - QG2 VAL 32 far 0 85 0 - 5.1-7.4 HG12 ILE 15 - QG2 VAL 32 far 0 68 0 - 6.6-7.7 HD3 LYS 39 - QG2 VAL 32 far 0 95 0 - 8.3-9.8 HD2 LYS 39 - QG2 VAL 32 far 0 100 0 - 8.6-10.1 HB ILE 76 - QG2 VAL 32 far 0 97 0 - 9.8-10.6 HD3 LYS 73 - QG2 VAL 32 far 0 100 0 - 10.0-14.9 Violated in 8 structures by 0.06 A. Peak 10161 from cnoeabs.peaks (2.63, 0.83, 22.02 ppm; 5.69 A): 1 out of 3 assignments used, quality = 1.00: HB3 TYR 41 + QG2 VAL 32 OK 100 100 100 100 3.4-5.5 1890/10162=80...(13) HB VAL 58 - QG2 VAL 32 far 0 68 0 - 7.4-9.0 HG3 MET 74 - QG2 VAL 32 far 0 99 0 - 8.7-11.8 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 7 assignments used, quality = 0.98: HA LEU 38 + QG2 VAL 32 OK 98 100 100 98 2.0-3.1 8934/2.1=45, 1620=41...(18) HA GLU 35 - QG2 VAL 32 far 0 98 0 - 5.1-5.7 HA ALA 67 - QG2 VAL 32 far 0 91 0 - 5.8-7.3 HA LYS 40 - QG2 VAL 32 far 0 99 0 - 6.9-7.7 HA GLU 63 - QG2 VAL 32 far 0 59 0 - 7.7-9.2 HA ALA 71 - QG2 VAL 32 far 0 79 0 - 8.2-9.3 HA GLU 43 - QG2 VAL 32 far 0 99 0 - 9.7-10.5 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 4.2-5.1 10147/4.0=52...(11) HB THR 34 - QG2 VAL 32 far 0 100 0 - 7.0-7.7 Violated in 14 structures by 0.23 A. Peak 10165 from cnoeabs.peaks (4.89, 0.83, 22.02 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.92: HA THR 31 + QG2 VAL 32 OK 92 100 100 92 3.4-4.1 6505/4.0=66, ~8728=30...(9) HA ILE 56 - QG2 VAL 32 far 10 100 10 - 5.0-6.0 HA ARG 30 - QG2 VAL 32 far 0 87 0 - 5.5-5.8 Violated in 0 structures by 0.00 A. Peak 10166 from cnoeabs.peaks (2.64, 0.91, 23.40 ppm; 6.04 A): 1 out of 5 assignments used, quality = 0.65: HB3 TYR 41 + QG1 VAL 32 OK 65 100 65 100 4.9-7.6 2.5/14619=93...(13) HB VAL 58 - QG1 VAL 32 poor 15 59 25 - 6.4-7.8 HD2 ARG 30 - QG1 VAL 32 far 0 65 0 - 7.1-9.3 HG3 MET 74 - QG1 VAL 32 far 0 97 0 - 8.9-11.8 HB3 ASP 65 - QG1 VAL 32 far 0 100 0 - 9.5-11.9 Violated in 15 structures by 0.67 A. Peak 10167 from cnoeabs.peaks (0.82, 3.89, 59.23 ppm; 3.59 A): 4 out of 23 assignments used, quality = 0.99: QD1 LEU 70 + HA GLU 35 OK 82 99 90 91 2.0-5.1 9540=23, 2.1/9541=23...(25) QD1 ILE 76 + HA GLU 43 OK 72 82 100 87 2.4-3.8 9630/1958=25...(18) QD2 LEU 38 + HA GLU 35 OK 68 100 80 85 1.9-4.7 4.5/12057=33...(18) QD1 LEU 38 + HA GLU 35 OK 22 65 40 82 1.9-5.1 4.5/12057=33...(18) QD2 LEU 70 - HA GLU 35 poor 19 95 20 - 3.5-6.4 QG2 ILE 8 - HA GLU 35 far 0 61 0 - 4.7-6.3 QG2 VAL 32 - HA GLU 35 far 0 100 0 - 5.1-5.7 QD1 LEU 38 - HA LYS 40 far 0 33 0 - 6.3-8.2 QD1 ILE 76 - HA LYS 40 far 0 47 0 - 6.6-7.6 QD1 LEU 70 - HA LYS 40 far 0 59 0 - 6.7-8.4 QG2 VAL 32 - HA LYS 40 far 0 60 0 - 6.9-7.7 QD2 LEU 70 - HA LYS 40 far 0 54 0 - 7.0-9.4 QD1 LEU 57 - HA ARG 91 far 0 99 0 - 7.3-8.6 QD1 LEU 38 - HA GLU 43 far 0 61 0 - 7.7-10.4 QD2 LEU 38 - HA LYS 40 far 0 61 0 - 7.7-8.2 QD2 LEU 70 - HA GLU 43 far 0 91 0 - 8.0-10.5 QD2 LEU 57 - HA ARG 91 far 0 77 0 - 8.0-9.1 QD1 LEU 70 - HA GLU 43 far 0 96 0 - 8.2-10.0 QD1 ILE 76 - HA GLU 35 far 0 87 0 - 9.2-10.9 QG2 ILE 7 - HA GLU 35 far 0 84 0 - 9.5-10.6 QD2 LEU 38 - HA GLU 43 far 0 98 0 - 9.5-10.7 QG2 VAL 32 - HA GLU 43 far 0 97 0 - 9.7-10.5 QD2 LEU 2 - HA GLU 43 far 0 92 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10168 from cnoeabs.peaks (0.87, 3.89, 59.23 ppm; 3.88 A): 2 out of 9 assignments used, quality = 0.82: QD1 LEU 38 + HA GLU 35 OK 65 99 75 89 1.9-5.1 4.5/12057=39...(19) QG1 VAL 32 + HA GLU 35 OK 47 65 100 71 3.5-4.0 8932/12057=39...(9) QG2 ILE 76 - HA GLU 43 far 9 95 10 - 4.6-6.4 HG13 ILE 8 - HA GLU 35 far 0 96 0 - 5.4-7.9 QD1 LEU 38 - HA LYS 40 far 0 58 0 - 6.3-8.2 QG1 VAL 32 - HA LYS 40 far 0 33 0 - 7.5-8.3 QD1 LEU 38 - HA GLU 43 far 0 95 0 - 7.7-10.4 QG2 ILE 76 - HA LYS 40 far 0 58 0 - 8.5-9.9 QD1 LEU 2 - HA GLU 43 far 0 95 0 - 9.6-12.9 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 2.4-3.3 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 3.1-5.1 10171/1.8=82, 12084=65...(15) HB3 SER 49 + HD2 ARG 46 OK 20 95 25 85 4.5-8.4 10174/2105=57...(7) HA ALA 71 - HD2 ARG 46 far 0 81 0 - 5.8-8.6 HA LYS 40 - HD2 ARG 46 far 0 99 0 - 8.4-10.6 Violated in 1 structures by 0.00 A. Peak 10171 from cnoeabs.peaks (3.87, 3.19, 43.64 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 43 + HD3 ARG 46 OK 99 99 100 100 2.1-4.3 12085=69, 10170/1.8=61...(14) HA ALA 71 - HD3 ARG 46 far 0 81 0 - 6.0-9.5 HB3 SER 49 - HD3 ARG 46 far 0 95 0 - 6.2-8.7 HA LYS 40 - HD3 ARG 46 far 0 99 0 - 7.7-10.1 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 = 0.92: HA GLU 43 + HG2 ARG 46 OK 89 100 90 99 2.0-5.6 10171/3.0=66...(15) HB3 SER 49 + HG2 ARG 46 OK 26 90 35 83 3.5-7.3 10174/4.1=60, ~9062=19...(7) HA ALA 71 - HG2 ARG 46 far 0 71 0 - 6.5-10.0 HA LYS 40 - HG2 ARG 46 far 0 97 0 - 7.4-11.4 Violated in 1 structures by 0.01 A. Peak 10173 from cnoeabs.peaks (3.86, 1.79, 26.76 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.96: HA GLU 43 + HG3 ARG 46 OK 93 94 100 99 2.0-5.1 10171/3.0=62...(15) HB3 SER 49 + HG3 ARG 46 OK 42 99 50 84 4.5-7.6 10174/2096=54, ~9062=18...(8) HA ALA 71 - HG3 ARG 46 far 0 93 0 - 6.4-10.3 HA LYS 40 - HG3 ARG 46 far 0 100 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. Peak 10174 from cnoeabs.peaks (3.88, 4.07, 58.19 ppm; 3.77 A): 1 out of 9 assignments used, quality = 0.81: HB3 SER 49 + HA ARG 46 OK 81 90 100 90 2.6-4.4 9071/9025=29, 2270=24...(14) HA ALA 67 - HA LYS 66 far 0 68 0 - 4.7-4.8 HA GLU 43 - HA ARG 46 far 0 100 0 - 4.7-5.7 HA GLU 63 - HA LYS 66 far 0 52 0 - 5.4-6.0 HA GLU 35 - HA LYS 66 far 0 85 0 - 5.9-9.0 HA LYS 94 - HA LYS 24 far 0 60 0 - 7.7-8.9 HA ALA 71 - HA ARG 46 far 0 71 0 - 8.1-9.9 HA ALA 71 - HA LYS 66 far 0 55 0 - 8.3-9.7 HA LEU 38 - HA LYS 66 far 0 86 0 - 9.3-12.1 Violated in 5 structures by 0.09 A. Peak 10175 from cnoeabs.peaks (2.18, 3.31, 43.64 ppm; 5.29 A): 2 out of 5 assignments used, quality = 0.60: HG2 GLU 43 + HD2 ARG 46 OK 46 98 50 94 4.7-7.3 11072/1.8=71...(8) HB3 GLU 75 + HD2 ARG 46 OK 26 98 95 28 3.7-6.3 10865/12326=18, 11072/1.8=11 HG3 GLU 75 - HD2 ARG 46 poor 16 100 55 29 4.8-7.8 10865/12326=20, ~11072=7 HG2 GLU 75 - HD2 ARG 46 far 5 100 5 - 6.0-8.3 HB2 GLN 72 - HD2 ARG 46 far 0 98 0 - 9.9-12.1 Violated in 1 structures by 0.01 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 2.0-6.0 2.1/9021=96...(31) Violated in 2 structures by 0.06 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 2.0-4.9 2.1/9021=82...(29) HG2 LYS 47 - HG3 ARG 46 far 3 68 5 - 3.6-8.7 HG13 ILE 52 - HG3 ARG 46 far 0 100 0 - 7.4-10.1 HG3 LYS 39 - HG3 ARG 46 far 0 96 0 - 7.8-12.4 HG2 LYS 73 - HG3 ARG 46 far 0 65 0 - 8.6-14.4 Violated in 3 structures by 0.04 A. Peak 10178 from cnoeabs.peaks (1.47, 1.82, 26.76 ppm; 4.89 A): 1 out of 5 assignments used, quality = 0.79: HG13 ILE 76 + HG2 ARG 46 OK 79 79 100 100 2.0-4.7 2.1/9023=87, ~9021=67...(27) HG2 LYS 47 - HG2 ARG 46 far 4 84 5 - 5.0-8.7 HG3 LYS 39 - HG2 ARG 46 far 0 87 0 - 7.6-13.1 HG13 ILE 52 - HG2 ARG 46 far 0 99 0 - 7.7-10.5 HG2 LYS 73 - HG2 ARG 46 far 0 82 0 - 8.7-14.1 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 6 assignments used, quality = 0.95: HG13 ILE 76 + HB2 ARG 46 OK 82 96 85 100 2.0-6.5 10177/3.0=74...(30) HG13 ILE 76 + HB3 ARG 46 OK 73 85 85 100 2.5-6.3 10177/3.0=74...(30) HG13 ILE 52 - HB2 ARG 46 far 0 100 0 - 8.3-9.9 HG3 LYS 39 - HB3 ARG 46 far 0 89 0 - 8.4-12.3 HG13 ILE 52 - HB3 ARG 46 far 0 91 0 - 8.5-10.0 HG3 LYS 39 - HB2 ARG 46 far 0 99 0 - 9.4-12.6 Violated in 5 structures by 0.09 A. Peak 10180 from cnoeabs.peaks (1.45, 1.96, 29.74 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.94: HG13 ILE 76 + HB3 ARG 46 OK 77 96 80 100 2.5-6.3 10177/3.0=73...(30) HG13 ILE 76 + HB2 ARG 46 OK 73 85 85 100 2.0-6.5 10177/3.0=73...(30) HG13 ILE 52 - HB2 ARG 46 far 0 91 0 - 8.3-9.9 HG3 LYS 39 - HB3 ARG 46 far 0 99 0 - 8.4-12.3 HG13 ILE 52 - HB3 ARG 46 far 0 100 0 - 8.5-10.0 HG3 LYS 39 - HB2 ARG 46 far 0 89 0 - 9.4-12.6 Violated in 5 structures by 0.10 A. Peak 10181 from cnoeabs.peaks (4.52, 2.43, 35.74 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.79: HA PHE 96 + HG3 GLU 99 OK 56 75 85 88 2.1-6.4 11025/1.8=45...(5) HA PHE 45 + HG3 GLU 48 OK 51 100 55 93 3.7-5.8 10190/6794=46...(8) Violated in 3 structures by 0.01 A. Peak 10182 from cnoeabs.peaks (4.53, 2.33, 35.74 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.91: HA PHE 45 + HG2 GLU 48 OK 85 99 90 95 3.2-6.3 10620/3.0=60...(7) HA PHE 45 + HG3 GLU 44 OK 43 79 55 98 3.3-6.7 3.0/2030=40, ~6725=38...(13) Violated in 1 structures by 0.00 A. Peak 10183 from cnoeabs.peaks (1.48, 2.43, 35.74 ppm; 4.43 A): 2 out of 17 assignments used, quality = 0.65: HG2 LYS 47 + HG3 GLU 48 OK 43 98 50 87 2.0-7.0 6784/6794=47...(12) HG LEU 2 + HG3 GLU 48 OK 39 65 60 99 2.2-6.4 2.1/9042=71, 2.1/9043=70...(14) HG13 ILE 52 - HG3 GLU 48 poor 18 90 20 - 3.7-7.4 HG3 LYS 13 - HG3 GLU 17 far 4 74 5 - 4.9-8.2 HG2 LYS 20 - HG3 GLU 17 far 0 70 0 - 5.5-9.0 HD2 LYS 53 - HG3 GLU 99 far 0 68 0 - 6.5-11.2 HG3 LYS 53 - HG3 GLU 99 far 0 76 0 - 6.9-11.9 HG2 LYS 53 - HG3 GLU 99 far 0 72 0 - 7.8-12.6 HG3 ARG 91 - HG3 GLU 99 far 0 59 0 - 8.3-15.6 HG2 LYS 53 - HG3 GLU 48 far 0 96 0 - 8.5-11.5 HG3 LYS 53 - HG3 GLU 48 far 0 99 0 - 8.8-12.9 HB2 ARG 91 - HG3 GLU 99 far 0 78 0 - 8.9-13.0 HB2 ARG 91 - HG3 GLU 17 far 0 83 0 - 9.4-13.6 HG3 ARG 91 - HG3 GLU 17 far 0 63 0 - 9.5-14.6 HG2 LYS 12 - HG3 GLU 17 far 0 52 0 - 9.6-11.3 HG LEU 57 - HG3 GLU 17 far 0 70 0 - 9.6-12.7 HG3 LYS 24 - HG3 GLU 17 far 0 60 0 - 9.8-14.5 Violated in 9 structures by 0.31 A. Peak 10184 from cnoeabs.peaks (1.71, 2.43, 35.74 ppm; 4.18 A): 1 out of 19 assignments used, quality = 0.41: HG2 PRO 86 + HG3 GLU 17 OK 41 70 70 85 3.3-7.4 10436/1.8=51...(10) HB2 LEU 2 - HG3 GLU 48 poor 20 98 20 - 4.5-7.6 HD2 LYS 47 - HG3 GLU 48 poor 17 70 25 - 3.3-7.8 HD3 LYS 47 - HG3 GLU 48 poor 16 71 30 76 3.4-8.2 3.0/10183=30...(9) HD3 LYS 90 - HG3 GLU 17 poor 15 74 20 - 4.1-8.6 HD3 LYS 13 - HG3 GLU 17 far 8 80 10 - 4.7-8.3 HD2 LYS 20 - HG3 GLU 17 far 7 47 15 - 4.3-8.7 HD2 LYS 90 - HG3 GLU 17 far 7 65 10 - 4.7-8.2 HD2 LYS 13 - HG3 GLU 17 far 4 78 5 - 3.3-7.3 HB3 LYS 53 - HG3 GLU 99 far 0 56 0 - 6.3-11.7 HB ILE 15 - HG3 GLU 17 far 0 77 0 - 6.7-8.4 HG12 ILE 15 - HG3 GLU 17 far 0 71 0 - 8.5-10.5 HB2 GLU 28 - HG3 GLU 48 far 0 81 0 - 8.6-12.1 HD2 LYS 12 - HG3 GLU 17 far 0 78 0 - 9.0-12.0 HD3 LYS 12 - HG3 GLU 17 far 0 78 0 - 9.1-12.4 HB3 LYS 53 - HG3 GLU 48 far 0 79 0 - 9.1-12.0 HD2 ARG 81 - HG3 GLU 99 far 0 76 0 - 9.2-13.6 HB3 ARG 91 - HG3 GLU 99 far 0 51 0 - 9.4-14.0 HB3 ARG 91 - HG3 GLU 17 far 0 55 0 - 9.5-12.5 Violated in 10 structures by 0.66 A. Peak 10185 from cnoeabs.peaks (1.36, 2.35, 35.75 ppm; 5.37 A): 2 out of 10 assignments used, quality = 0.81: HG3 LYS 68 + HG3 GLU 69 OK 72 80 95 95 2.1-6.4 10799/1.8=39...(10) HG3 LYS 40 + HG3 GLU 44 OK 33 100 45 73 5.0-9.7 ~10579=28, 10799/1.8=22...(6) HB3 LEU 2 - HG2 GLU 48 poor 11 54 20 - 4.9-7.8 HG LEU 14 - HG2 GLU 16 far 0 67 0 - 6.4-8.8 QB ALA 67 - HG3 GLU 69 far 0 64 0 - 6.5-7.7 HB2 LEU 70 - HG3 GLU 69 far 0 87 0 - 6.7-8.5 QB ALA 89 - HG2 GLU 16 far 0 54 0 - 7.0-9.0 HB3 ARG 30 - HG3 GLU 44 far 0 100 0 - 7.1-10.4 HB3 LEU 2 - HG3 GLU 44 far 0 73 0 - 8.3-13.9 HG2 LYS 39 - HG3 GLU 44 far 0 92 0 - 8.8-13.1 Violated in 4 structures by 0.05 A. Peak 10186 from cnoeabs.peaks (1.47, 2.35, 35.75 ppm; 4.57 A): 3 out of 25 assignments used, quality = 0.69: HG2 LYS 47 + HG2 GLU 48 OK 45 63 80 90 2.0-7.1 10183/1.8=40...(13) HG2 LYS 47 + HG3 GLU 44 OK 29 84 40 87 3.9-8.4 12088/4.0=42...(10) HG13 ILE 52 + HG2 GLU 48 OK 20 81 25 100 4.2-7.9 ~9044=47, ~9177=46...(21) HG2 LYS 12 - HG2 GLU 16 poor 12 62 50 39 4.2-8.2 8473/6239=24...(4) HG2 LYS 73 - HG3 GLU 69 far 10 66 15 - 4.7-8.9 HG2 LYS 20 - HG2 GLU 16 far 7 71 10 - 4.0-8.0 HG3 LYS 13 - HG2 GLU 16 far 7 46 15 - 4.6-7.1 HG2 LYS 66 - HG3 GLU 69 far 0 67 0 - 5.7-7.9 HG2 LYS 13 - HG2 GLU 16 far 0 42 0 - 5.9-8.1 HD2 LYS 40 - HG3 GLU 44 far 0 100 0 - 6.0-11.2 HD3 LYS 40 - HG3 GLU 44 far 0 100 0 - 6.4-11.3 HG LEU 64 - HG3 GLU 69 far 0 81 0 - 6.6-8.2 HG13 ILE 52 - HG3 GLU 44 far 0 99 0 - 6.8-11.4 HG3 LYS 66 - HG3 GLU 69 far 0 64 0 - 7.3-8.9 HG3 LYS 39 - HG3 GLU 44 far 0 87 0 - 8.6-14.3 QB ALA 22 - HG2 GLU 16 far 0 49 0 - 8.7-10.5 HG LEU 38 - HG3 GLU 69 far 0 86 0 - 8.8-13.5 HG13 ILE 76 - HG3 GLU 44 far 0 79 0 - 8.9-11.8 HG LEU 29 - HG2 GLU 16 far 0 49 0 - 9.0-11.7 HG13 ILE 76 - HG2 GLU 48 far 0 58 0 - 9.0-12.5 HB3 LEU 64 - HG3 GLU 69 far 0 69 0 - 9.2-10.6 HG2 LYS 53 - HG2 GLU 48 far 0 83 0 - 9.2-12.0 HG3 LYS 53 - HG2 GLU 48 far 0 83 0 - 9.5-13.1 HG3 LYS 39 - HG3 GLU 69 far 0 70 0 - 9.6-14.6 HB2 LEU 38 - HG3 GLU 44 far 0 99 0 - 9.7-14.0 Violated in 4 structures by 0.01 A. Peak 10187 from cnoeabs.peaks (1.69, 2.35, 35.75 ppm; 3.84 A): 3 out of 30 assignments used, quality = 0.64: HD3 LYS 47 + HG3 GLU 44 OK 41 100 55 75 3.0-8.1 10433/3.0=40...(9) HD2 LYS 47 + HG3 GLU 44 OK 22 100 35 63 2.8-9.2 ~10433=24, 12090/4.0=20...(11) HD2 LYS 47 + HG2 GLU 48 OK 22 81 40 68 3.7-8.2 3.0/10186=19, ~10183=17...(9) HD2 LYS 68 - HG3 GLU 69 poor 20 53 50 75 3.9-6.2 3.0/10185=23...(12) HD3 LYS 47 - HG2 GLU 48 poor 19 82 35 66 3.8-8.9 3.0/10186=19, ~10183=17...(9) HD3 LYS 12 - HG2 GLU 16 poor 17 68 25 - 3.1-8.8 HB ILE 52 - HG2 GLU 48 poor 15 74 20 - 3.6-6.8 HD2 LYS 12 - HG2 GLU 16 far 10 68 15 - 4.0-9.7 HD3 LYS 13 - HG2 GLU 16 far 10 67 15 - 3.6-8.8 HD2 LYS 13 - HG2 GLU 16 far 7 68 10 - 4.5-9.4 HD2 LYS 20 - HG2 GLU 16 far 4 70 5 - 3.8-7.5 HG3 LYS 20 - HG2 GLU 16 far 3 68 5 - 3.8-9.1 HD3 LYS 68 - HG3 GLU 69 far 0 51 0 - 4.7-7.3 HD3 LYS 20 - HG2 GLU 16 far 0 68 0 - 4.9-7.9 HD3 LYS 66 - HG3 GLU 69 far 0 82 0 - 4.9-8.0 HB2 LEU 2 - HG2 GLU 48 far 0 77 0 - 5.3-8.1 HD3 LYS 73 - HG3 GLU 69 far 0 73 0 - 5.3-9.8 HG12 ILE 15 - HG2 GLU 16 far 0 72 0 - 5.5-8.7 HG LEU 70 - HG3 GLU 69 far 0 84 0 - 5.7-8.4 HB3 LYS 40 - HG3 GLU 44 far 0 100 0 - 6.0-10.9 HD2 LYS 73 - HG3 GLU 69 far 0 75 0 - 6.1-9.9 HB3 LEU 70 - HG3 GLU 69 far 0 64 0 - 6.7-8.2 HD3 LYS 90 - HG2 GLU 16 far 0 71 0 - 7.3-13.9 HG2 PRO 86 - HG2 GLU 16 far 0 72 0 - 7.3-11.3 HB ILE 52 - HG3 GLU 44 far 0 95 0 - 8.2-12.4 HB2 LEU 2 - HG3 GLU 44 far 0 97 0 - 9.3-14.1 HD2 LYS 39 - HG3 GLU 44 far 0 71 0 - 9.6-15.7 HD2 LYS 39 - HG3 GLU 69 far 0 56 0 - 9.6-13.2 HB3 LYS 53 - HG2 GLU 48 far 0 83 0 - 9.7-12.6 HB3 LEU 6 - HG3 GLU 44 far 0 59 0 - 9.9-12.8 Violated in 12 structures by 0.56 A. Peak 10192 from cnoeabs.peaks (1.43, 0.73, 20.80 ppm; 2.97 A): 3 out of 23 assignments used, quality = 0.97: HG LEU 29 + QG1 VAL 5 OK 87 100 95 92 2.1-4.3 8675/2.1=25, ~8671=24...(18) QB ALA 71 + QG2 VAL 78 OK 64 66 100 96 1.7-3.0 10835/2.1=40, 9553=34...(22) QB ALA 22 + QG1 VAL 5 OK 29 100 40 74 3.2-4.6 8578/2.1=27...(12) HG12 ILE 7 - QG1 VAL 5 far 0 100 0 - 4.5-5.6 HG13 ILE 76 - QG2 VAL 78 far 0 74 0 - 4.8-8.0 HB2 LEU 27 - QG1 VAL 5 far 0 79 0 - 4.8-6.4 HG13 ILE 52 - QG2 VAL 78 far 0 53 0 - 5.1-9.3 HB2 LEU 38 - QG2 VAL 78 far 0 56 0 - 5.5-8.4 HG LEU 38 - QG2 VAL 78 far 0 50 0 - 5.7-9.3 HG2 LYS 53 - QG2 VAL 78 far 0 44 0 - 6.2-8.2 HD2 LYS 53 - QG2 VAL 78 far 0 50 0 - 6.6-9.4 HG3 LYS 39 - QG2 VAL 78 far 0 71 0 - 7.2-10.4 HG3 ARG 91 - QG1 VAL 5 far 0 87 0 - 7.9-10.9 QB ALA 71 - QG1 VAL 5 far 0 94 0 - 8.0-9.0 HB2 LEU 38 - QG1 VAL 5 far 0 82 0 - 8.2-11.5 HG LEU 38 - QG1 VAL 5 far 0 75 0 - 8.5-11.5 HG2 LYS 20 - QG1 VAL 5 far 0 79 0 - 8.6-10.9 HG13 ILE 52 - QG1 VAL 5 far 0 79 0 - 8.8-10.6 HG LEU 29 - QG2 VAL 78 far 0 74 0 - 9.0-11.8 HG12 ILE 7 - QG2 VAL 78 far 0 75 0 - 9.2-12.0 HG2 LYS 53 - QG1 VAL 5 far 0 68 0 - 9.3-10.6 HD2 LYS 53 - QG1 VAL 5 far 0 75 0 - 9.4-11.5 QB ALA 22 - QG2 VAL 78 far 0 74 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 10193 from cnoeabs.peaks (1.45, 1.86, 33.82 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 29 + HB VAL 5 OK 98 99 100 100 2.1-4.2 2.1/8671=69, 8675=58...(19) QB ALA 22 + HB VAL 5 OK 97 99 100 98 3.3-3.9 8578/2.1=54...(17) HB2 LEU 27 - HB VAL 5 poor 20 99 20 - 4.6-5.7 HG12 ILE 7 - HB VAL 5 far 0 90 0 - 7.1-8.4 HG13 ILE 52 - HB VAL 5 far 0 99 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (1.33, 0.73, 20.80 ppm; 4.14 A): 1 out of 25 assignments used, quality = 0.26: QB ALA 67 + QG2 VAL 78 OK 26 75 75 46 3.9-6.1 4.9/8182=18...(6) HB3 LEU 27 - QG1 VAL 5 poor 20 98 20 - 4.7-6.7 HB3 LEU 42 - QG2 VAL 78 poor 11 53 20 - 4.0-7.1 HG3 LYS 68 - QG2 VAL 78 far 7 67 10 - 4.6-9.1 QB ALA 89 - QG1 VAL 5 lone 4 100 55 7 4.5-5.6 12135/10691=5, 1350/10196=1 HB3 ARG 30 - QG1 VAL 5 far 0 59 0 - 5.2-7.4 HB2 LEU 70 - QG2 VAL 78 far 0 41 0 - 5.5-7.4 QB ALA 25 - QG1 VAL 5 far 0 100 0 - 5.6-7.2 HG2 ARG 30 - QG1 VAL 5 far 0 61 0 - 6.6-8.2 HG12 ILE 8 - QG1 VAL 5 far 0 75 0 - 6.6-8.0 QB ALA 67 - QG1 VAL 5 far 0 100 0 - 7.0-7.8 HG2 LYS 39 - QG2 VAL 78 far 0 71 0 - 7.2-9.3 HG LEU 14 - QG1 VAL 5 far 0 94 0 - 7.4-9.0 HG12 ILE 8 - QG2 VAL 78 far 0 50 0 - 7.9-10.2 HG2 LYS 94 - QG1 VAL 5 far 0 100 0 - 8.0-10.6 HB3 ARG 30 - QG2 VAL 78 far 0 38 0 - 8.5-10.4 HB2 LYS 82 - QG2 VAL 78 far 0 72 0 - 8.6-12.1 HG LEU 3 - QG1 VAL 5 far 0 71 0 - 8.7-9.2 HG LEU 3 - QG2 VAL 78 far 0 47 0 - 9.2-11.4 HB3 LEU 2 - QG2 VAL 78 far 0 76 0 - 9.2-12.9 QB ALA 89 - QG2 VAL 78 far 0 74 0 - 9.5-12.1 HG2 ARG 30 - QG2 VAL 78 far 0 40 0 - 9.5-12.4 HB2 LYS 82 - QG1 VAL 5 far 0 99 0 - 9.6-11.2 HG3 LYS 40 - QG2 VAL 78 far 0 56 0 - 9.9-12.7 HB3 LEU 27 - QG2 VAL 78 far 0 72 0 - 9.9-12.0 Violated in 15 structures by 0.58 A. Peak 10195 from cnoeabs.peaks (1.46, 0.98, 22.13 ppm; 3.59 A): 2 out of 10 assignments used, quality = 0.98: HG LEU 64 + QG2 THR 80 OK 92 92 100 100 3.4-4.1 2.1/10762=77, ~9724=42...(22) HB3 LEU 64 + QG2 THR 80 OK 77 77 100 100 2.8-3.7 3.1/10762=60...(20) HG LEU 38 - QG2 THR 80 far 0 100 0 - 5.0-8.7 HB2 LEU 38 - QG2 THR 80 far 0 100 0 - 6.1-7.9 HG2 LYS 66 - QG2 THR 80 far 0 75 0 - 7.0-8.1 HG12 ILE 7 - QG2 THR 80 far 0 65 0 - 7.2-8.5 HD2 LYS 82 - QG2 THR 80 far 0 100 0 - 7.2-8.0 HG3 LYS 66 - QG2 THR 80 far 0 71 0 - 7.7-8.4 HG3 LYS 39 - QG2 THR 80 far 0 93 0 - 8.9-12.0 HG2 LYS 73 - QG2 THR 80 far 0 73 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10196 from cnoeabs.peaks (1.53, 0.73, 20.80 ppm; 3.58 A): 3 out of 24 assignments used, quality = 0.92: HB ILE 7 + QG1 VAL 5 OK 66 98 100 68 3.4-4.2 10999/10198=21, 600=18...(11) HG LEU 57 + QG1 VAL 5 OK 51 71 100 72 3.3-4.4 10214/8195=21, 10695=17...(15) HG12 ILE 56 + QG2 VAL 78 OK 50 76 80 83 2.1-5.0 10680/10194=27...(19) HG2 ARG 79 - QG2 VAL 78 poor 19 76 25 - 3.7-7.3 HG LEU 6 - QG1 VAL 5 far 5 99 5 - 4.5-5.2 HG LEU 6 - QG2 VAL 78 far 0 74 0 - 4.7-8.2 HG3 ARG 79 - QG2 VAL 78 far 0 76 0 - 4.9-6.9 HG12 ILE 56 - QG1 VAL 5 far 0 100 0 - 5.1-6.4 HG2 ARG 79 - QG1 VAL 5 far 0 100 0 - 5.9-8.7 HB2 LEU 3 - QG1 VAL 5 far 0 93 0 - 6.3-7.4 HD3 LYS 53 - QG2 VAL 78 far 0 66 0 - 6.4-9.0 HG3 ARG 30 - QG1 VAL 5 far 0 100 0 - 6.5-8.3 HG3 ARG 79 - QG1 VAL 5 far 0 100 0 - 6.5-9.3 HB3 GLU 28 - QG1 VAL 5 far 0 79 0 - 7.0-8.1 HB2 LEU 3 - QG2 VAL 78 far 0 65 0 - 8.3-11.4 HG LEU 57 - QG2 VAL 78 far 0 47 0 - 8.3-11.3 HD3 LYS 53 - QG1 VAL 5 far 0 94 0 - 8.6-10.3 HB2 LEU 14 - QG1 VAL 5 far 0 98 0 - 8.6-10.7 HB ILE 7 - QG2 VAL 78 far 0 72 0 - 9.1-11.6 HG LEU 2 - QG2 VAL 78 far 0 65 0 - 9.2-12.4 HG3 LYS 24 - QG1 VAL 5 far 0 84 0 - 9.2-12.2 HB3 LEU 103 - QG2 VAL 78 far 0 72 0 - 9.4-15.7 HG3 ARG 30 - QG2 VAL 78 far 0 75 0 - 9.8-11.6 HB3 GLU 28 - QG2 VAL 78 far 0 53 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10197 from cnoeabs.peaks (1.64, 0.73, 20.80 ppm; 3.83 A): 3 out of 23 assignments used, quality = 0.72: HB3 LEU 6 + QG1 VAL 5 OK 50 99 55 91 4.3-5.4 6065/178=52, 3.0/8178=37...(17) HB ILE 76 + QG2 VAL 78 OK 29 75 40 97 2.5-5.6 ~10906=51, ~10287=33...(16) HB2 ARG 79 + QG2 VAL 78 OK 20 37 65 86 4.1-6.8 4.1/7286=39, 9690/3.2=18...(18) HB3 ARG 79 - QG2 VAL 78 poor 19 70 30 89 3.9-6.9 7290/4.3=40, 9690/3.2=18...(19) HG2 LYS 68 - QG2 VAL 78 far 4 76 5 - 4.5-9.3 HD3 LYS 68 - QG2 VAL 78 far 4 72 5 - 4.2-9.9 HB3 LEU 6 - QG2 VAL 78 far 0 74 0 - 4.8-7.8 HD2 LYS 68 - QG2 VAL 78 far 0 72 0 - 5.0-10.8 HB2 ARG 79 - QG1 VAL 5 far 0 57 0 - 5.9-8.7 HB3 ARG 79 - QG1 VAL 5 far 0 97 0 - 6.0-8.6 HB2 ARG 30 - QG1 VAL 5 far 0 63 0 - 6.2-7.5 HB ILE 52 - QG2 VAL 78 far 0 51 0 - 6.7-10.0 HD2 LYS 39 - QG2 VAL 78 far 0 70 0 - 8.6-10.7 HD3 LYS 73 - QG2 VAL 78 far 0 58 0 - 8.8-11.5 HD2 LYS 20 - QG1 VAL 5 far 0 63 0 - 8.9-11.6 HB2 ARG 30 - QG2 VAL 78 far 0 41 0 - 8.9-11.2 HD2 LYS 73 - QG2 VAL 78 far 0 56 0 - 8.9-11.2 HG3 LYS 47 - QG2 VAL 78 far 0 66 0 - 9.0-13.6 HD3 LYS 39 - QG2 VAL 78 far 0 76 0 - 9.2-11.5 HG3 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.4-11.5 HD3 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.5-11.8 HD2 LYS 94 - QG1 VAL 5 far 0 96 0 - 9.5-11.6 HB2 LYS 40 - QG2 VAL 78 far 0 75 0 - 10.0-11.8 Violated in 7 structures by 0.05 A. Peak 10198 from cnoeabs.peaks (2.04, 0.73, 20.80 ppm; 4.20 A): 1 out of 19 assignments used, quality = 0.93: HG12 ILE 93 + QG1 VAL 5 OK 93 100 100 93 1.9-4.0 10016/8195=43, ~10322=38...(15) HB2 MET 74 - QG2 VAL 78 far 0 63 0 - 5.5-8.9 HB2 MET 21 - QG1 VAL 5 far 0 99 0 - 5.6-6.9 HB3 LEU 38 - QG2 VAL 78 far 0 50 0 - 5.8-8.4 HG2 GLU 28 - QG1 VAL 5 far 0 90 0 - 6.6-9.6 HG3 GLU 28 - QG1 VAL 5 far 0 90 0 - 7.1-9.4 HB3 LYS 94 - QG1 VAL 5 far 0 93 0 - 7.8-9.2 HB3 GLU 17 - QG1 VAL 5 far 0 68 0 - 8.0-9.7 HB3 GLU 48 - QG2 VAL 78 far 0 75 0 - 8.2-11.6 HB3 GLU 88 - QG1 VAL 5 far 0 65 0 - 8.3-10.6 HB3 GLU 99 - QG1 VAL 5 far 0 100 0 - 8.4-12.4 HB3 GLU 43 - QG2 VAL 78 far 0 61 0 - 8.5-11.4 HB3 LEU 38 - QG1 VAL 5 far 0 75 0 - 8.5-11.2 HB2 GLU 99 - QG1 VAL 5 far 0 100 0 - 9.3-12.5 HG12 ILE 93 - QG2 VAL 78 far 0 75 0 - 9.3-12.0 HB3 GLU 35 - QG2 VAL 78 far 0 38 0 - 9.4-11.9 HB2 GLU 99 - QG2 VAL 78 far 0 76 0 - 9.8-13.5 HB2 GLU 35 - QG2 VAL 78 far 0 45 0 - 9.9-12.6 HB2 GLU 98 - QG1 VAL 5 far 0 100 0 - 9.9-11.5 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 = 0.91: HE3 LYS 68 + QG2 THR 80 OK 70 99 70 100 3.5-6.4 3.6/12321=70...(17) HE2 LYS 68 + QG2 THR 80 OK 69 99 70 100 3.3-6.4 3.6/12321=70...(18) HB2 ASN 60 - QG2 THR 80 far 0 99 0 - 7.4-9.3 HE3 LYS 66 - QG2 THR 80 far 0 100 0 - 8.2-9.6 HE2 LYS 66 - QG2 THR 80 far 0 100 0 - 8.6-10.0 HE2 LYS 39 - QG2 THR 80 far 0 79 0 - 10.0-13.3 Violated in 10 structures by 0.13 A. Peak 10200 from cnoeabs.peaks (8.55, 5.34, 59.36 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.41: H GLN 50 + HA ILE 52 OK 24 100 35 70 4.9-6.5 6853/3.0=30...(6) H ASN 51 + HA ILE 52 OK 22 91 25 95 4.2-5.4 6839/3.0=63, ~6854=35...(10) H VAL 58 - HA THR 80 far 3 65 5 - 5.0-6.4 Violated in 16 structures by 0.42 A. Peak 10202 from cnoeabs.peaks (8.55, 0.78, 17.78 ppm; 4.61 A): 2 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, 4.3/9072=56...(13) H ASN 51 + QG2 ILE 52 OK 88 98 90 99 3.9-5.6 6839/2350=66, 9107=53...(14) H LEU 2 - QG2 ILE 52 far 3 63 5 - 5.3-7.4 H VAL 58 - QG2 ILE 8 far 0 68 0 - 5.7-6.4 H ASP 61 - QG2 ILE 8 far 0 44 0 - 7.7-8.8 H LYS 12 - QG2 ILE 8 far 0 61 0 - 9.2-9.9 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 2.4-3.2 9293/6902=60...(22) 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 3 assignments used, quality = 1.00: HB2 TYR 4 + HA VAL 54 OK 100 100 100 100 2.6-4.3 9239/3.2=77...(25) HB2 TYR 41 - HA VAL 54 far 0 94 0 - 7.7-9.1 HG2 GLU 48 - HA VAL 54 far 0 63 0 - 9.1-13.0 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 12 assignments used, quality = 0.97: HB3 LYS 53 + QG2 VAL 54 OK 88 95 95 98 4.6-5.4 3.0/9200=66, 4.4/6897=56...(10) HB ILE 76 + QG2 VAL 54 OK 54 87 65 96 4.3-5.8 2.1/11070=90, ~9233=44...(4) HB ILE 52 + QG2 VAL 54 OK 43 100 45 96 4.9-5.6 3.0/10208=67...(8) HB3 LEU 6 - QG2 VAL 54 far 14 92 15 - 5.1-6.9 HB2 LEU 2 - QG2 VAL 54 far 0 71 0 - 6.2-8.4 HB3 ARG 79 - QG2 VAL 54 far 0 97 0 - 6.4-8.6 HD2 LYS 47 - QG2 VAL 54 far 0 98 0 - 7.4-10.9 HD3 LYS 47 - QG2 VAL 54 far 0 98 0 - 7.5-11.3 HB3 LYS 40 - QG2 VAL 54 far 0 96 0 - 9.0-11.0 HB2 LYS 40 - QG2 VAL 54 far 0 90 0 - 9.0-11.0 HG2 LYS 68 - QG2 VAL 54 far 0 84 0 - 9.6-12.5 HD3 LYS 68 - QG2 VAL 54 far 0 95 0 - 9.9-13.1 Violated in 1 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (1.53, 0.65, 22.12 ppm; 4.49 A): 2 out of 12 assignments used, quality = 0.98: HG LEU 6 + QG2 VAL 54 OK 97 100 100 97 4.2-5.2 10209/2.1=51...(18) HG12 ILE 56 + QG2 VAL 54 OK 39 100 50 78 4.8-6.5 ~10678=38, 10209/2.1=33...(10) HG LEU 2 - QG2 VAL 54 far 14 96 15 - 5.3-7.2 HB2 LEU 3 - QG2 VAL 54 far 4 88 5 - 4.7-7.2 HG2 ARG 79 - QG2 VAL 54 far 0 100 0 - 5.6-9.0 HB3 GLU 28 - QG2 VAL 54 far 0 71 0 - 5.8-7.6 HD3 LYS 53 - QG2 VAL 54 far 0 90 0 - 6.3-7.1 HG3 ARG 79 - QG2 VAL 54 far 0 100 0 - 6.6-8.9 HG3 ARG 30 - QG2 VAL 54 far 0 100 0 - 6.7-8.8 HG2 LYS 47 - QG2 VAL 54 far 0 59 0 - 8.0-10.2 HB ILE 7 - QG2 VAL 54 far 0 99 0 - 9.5-10.4 HG LEU 57 - QG2 VAL 54 far 0 79 0 - 9.9-10.6 Violated in 6 structures by 0.05 A. Peak 10208 from cnoeabs.peaks (1.46, 0.65, 22.12 ppm; 4.13 A): 1 out of 12 assignments used, quality = 0.92: HG13 ILE 52 + QG2 VAL 54 OK 92 100 100 92 2.8-4.6 1.8/9240=74, 3.2/2497=17...(14) HG2 LYS 53 - QG2 VAL 54 far 0 100 0 - 5.3-5.9 HG3 LYS 53 - QG2 VAL 54 far 0 99 0 - 5.4-6.2 HG13 ILE 76 - QG2 VAL 54 far 0 91 0 - 5.8-7.1 HD2 LYS 53 - QG2 VAL 54 far 0 100 0 - 6.0-7.5 HB2 LEU 38 - QG2 VAL 54 far 0 100 0 - 7.1-9.4 HG LEU 29 - QG2 VAL 54 far 0 90 0 - 7.8-9.1 QB ALA 22 - QG2 VAL 54 far 0 90 0 - 7.8-8.8 HG LEU 38 - QG2 VAL 54 far 0 100 0 - 8.0-10.1 HG2 LYS 47 - QG2 VAL 54 far 0 70 0 - 8.0-10.2 HB2 LEU 27 - QG2 VAL 54 far 0 100 0 - 8.0-9.8 HG3 LYS 39 - QG2 VAL 54 far 0 96 0 - 8.6-10.7 Violated in 2 structures by 0.04 A. Peak 10209 from cnoeabs.peaks (1.52, 0.76, 21.39 ppm; 3.30 A): 2 out of 25 assignments used, quality = 0.96: HG LEU 6 + QG1 VAL 54 OK 91 100 100 91 1.9-3.4 215=36, 10207/2.1=27...(18) HG12 ILE 56 + QG1 VAL 54 OK 59 99 90 66 2.3-4.2 ~10678=19, 6924/10662=14...(14) HG2 ARG 79 - QG1 VAL 78 poor 16 78 20 - 3.6-7.7 HG12 ILE 56 - QG1 VAL 78 poor 15 80 30 64 1.9-5.7 2579/2.1=19...(15) HG2 ARG 79 - QG1 VAL 54 far 0 98 0 - 4.9-8.7 HG3 ARG 79 - QG1 VAL 78 far 0 77 0 - 5.1-7.4 HG LEU 6 - QG1 VAL 78 far 0 83 0 - 5.3-7.8 HB2 LEU 3 - QG1 VAL 54 far 0 73 0 - 5.4-7.4 HG3 ARG 30 - QG1 VAL 54 far 0 99 0 - 6.0-7.8 HG3 ARG 79 - QG1 VAL 54 far 0 97 0 - 6.1-8.6 HD3 LYS 53 - QG1 VAL 78 far 0 56 0 - 6.4-8.7 HB ILE 7 - QG1 VAL 54 far 0 100 0 - 7.0-7.8 HG LEU 2 - QG1 VAL 54 far 0 100 0 - 7.2-9.4 HG2 LYS 73 - QG1 VAL 78 far 0 59 0 - 7.2-10.9 HG LEU 57 - QG1 VAL 54 far 0 92 0 - 7.5-8.4 HD3 LYS 53 - QG1 VAL 54 far 0 75 0 - 7.6-8.3 HG LEU 57 - QG1 VAL 78 far 0 71 0 - 8.3-11.6 HB3 LEU 64 - QG1 VAL 78 far 0 56 0 - 8.5-11.1 HB2 LEU 3 - QG1 VAL 78 far 0 54 0 - 8.5-10.8 HG LEU 2 - QG1 VAL 78 far 0 82 0 - 8.9-10.9 HB ILE 7 - QG1 VAL 78 far 0 83 0 - 9.0-12.0 HG3 ARG 30 - QG1 VAL 78 far 0 81 0 - 9.3-12.1 HG2 LYS 47 - QG1 VAL 54 far 0 77 0 - 9.4-12.2 HG2 LYS 47 - QG1 VAL 78 far 0 57 0 - 9.8-12.6 HB3 LEU 103 - QG1 VAL 78 far 0 83 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 10210 from cnoeabs.peaks (1.41, 0.76, 21.39 ppm; 3.41 A): 1 out of 12 assignments used, quality = 0.83: QB ALA 71 + QG1 VAL 78 OK 83 83 100 99 1.7-2.7 10835/2.1=59...(25) QB ALA 71 - QG1 VAL 54 far 5 100 5 - 4.3-5.4 HG13 ILE 76 - QG1 VAL 78 far 0 65 0 - 4.3-7.5 HG LEU 29 - QG1 VAL 54 far 0 87 0 - 5.8-6.9 QB ALA 22 - QG1 VAL 54 far 0 87 0 - 6.7-7.5 HG3 LYS 39 - QG1 VAL 78 far 0 57 0 - 6.9-9.6 HG13 ILE 76 - QG1 VAL 54 far 0 85 0 - 7.6-8.7 HG12 ILE 7 - QG1 VAL 54 far 0 98 0 - 8.0-8.9 HG3 LYS 39 - QG1 VAL 54 far 0 77 0 - 8.6-10.5 HG LEU 29 - QG1 VAL 78 far 0 66 0 - 8.9-11.8 HG12 ILE 7 - QG1 VAL 78 far 0 78 0 - 9.2-12.4 QB ALA 22 - QG1 VAL 78 far 0 66 0 - 9.3-11.8 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 1.8-3.5 2.1/10212=63, 9272=57...(32) HG2 ARG 81 + QD1 LEU 57 OK 30 99 35 86 3.5-5.6 9747=22, 2.9/9744=21...(18) QD1 LEU 3 - QD1 LEU 57 far 0 85 0 - 8.4-11.0 Violated in 8 structures by 0.05 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 99 1.9-3.8 2.1/10211=52...(21) QD1 LEU 3 - QD1 LEU 57 far 0 57 0 - 8.4-11.0 Violated in 8 structures by 0.15 A. Peak 10213 from cnoeabs.peaks (0.45, 0.80, 25.48 ppm; 4.21 A): 2 out of 9 assignments used, quality = 0.97: QD1 LEU 55 + QD2 LEU 57 OK 96 96 100 100 1.8-3.7 2.1/10217=73...(34) HG2 ARG 81 + QD2 LEU 57 OK 39 87 50 89 3.7-6.5 9747/2.1=34, ~9744=25...(14) QD1 LEU 55 - QD1 LEU 6 far 0 61 0 - 6.3-7.6 QD1 LEU 55 - QD2 LEU 38 far 0 57 0 - 6.8-10.0 QD1 LEU 3 - QD2 LEU 57 far 0 99 0 - 7.7-9.3 HG2 ARG 81 - QD1 LEU 6 far 0 53 0 - 8.9-11.8 QD1 LEU 55 - QD1 LEU 70 far 0 54 0 - 9.0-12.6 HG2 ARG 81 - QD2 LEU 38 far 0 49 0 - 9.0-13.0 QD1 LEU 3 - QD1 LEU 6 far 0 64 0 - 9.2-10.3 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 2.7-4.0 10212/2.1=92, 9268=59...(19) QD2 LEU 55 - HG3 ARG 30 far 0 45 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 10215 from cnoeabs.peaks (2.09, 1.82, 42.45 ppm; 5.87 A): 1 out of 7 assignments used, quality = 0.28: HB VAL 83 + HB3 LEU 57 OK 28 94 30 100 6.5-7.6 ~9819=93, ~9809=89...(20) HB3 GLU 88 - HB3 LEU 57 far 0 95 0 - 8.0-9.5 HB2 PRO 86 - HB3 LEU 57 far 0 85 0 - 8.9-10.5 HB3 LEU 38 - HB3 LEU 57 far 0 90 0 - 9.0-12.5 QE MET 21 - HB3 LEU 57 far 0 100 0 - 9.5-10.8 HB3 PRO 86 - HB3 LEU 57 far 0 99 0 - 9.6-10.7 HB2 LEU 64 - HB3 LEU 57 far 0 94 0 - 9.9-10.7 Violated in 20 structures by 1.19 A. Peak 10217 from cnoeabs.peaks (0.52, 0.80, 25.48 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 55 + QD2 LEU 57 OK 98 98 100 100 1.8-2.8 10212/2.1=78...(26) QD2 LEU 55 - QD1 LEU 6 far 0 63 0 - 6.3-7.9 QD2 LEU 55 - QD2 LEU 38 far 0 60 0 - 7.4-10.6 Violated in 0 structures by 0.00 A. Peak 10218 from cnoeabs.peaks (1.88, 0.68, 19.32 ppm; 4.92 A): 2 out of 5 assignments used, quality = 0.99: HB ILE 8 + QG2 VAL 58 OK 98 98 100 100 4.2-5.0 10224/2.1=98...(29) HB3 LYS 68 + QG2 VAL 58 OK 25 98 45 57 5.5-7.9 10258/10221=31...(5) HB3 LYS 66 - QG2 VAL 58 far 0 90 0 - 6.0-6.6 HB3 LEU 14 - QG2 VAL 58 far 0 93 0 - 9.0-9.9 HB VAL 54 - QG2 VAL 58 far 0 100 0 - 9.8-11.1 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 8 assignments used, quality = 0.97: HB2 LEU 64 + QG2 VAL 58 OK 97 97 100 100 2.5-3.0 3.0/9475=75, 9474=56...(21) HB VAL 83 - QG2 VAL 58 far 0 97 0 - 6.3-6.9 HB3 GLU 62 - QG2 VAL 58 far 0 61 0 - 6.4-7.7 HG2 GLU 69 - QG2 VAL 58 far 0 100 0 - 8.3-8.9 HG2 GLU 88 - QG2 VAL 58 far 0 96 0 - 8.7-10.5 HB2 GLU 69 - QG2 VAL 58 far 0 100 0 - 8.8-9.8 HG2 GLU 104 - QG2 VAL 58 far 0 91 0 - 9.3-22.8 HG3 GLU 104 - QG2 VAL 58 far 0 79 0 - 9.3-24.0 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 3 assignments used, quality = 0.98: HB2 GLU 63 + QG2 VAL 58 OK 98 98 100 100 2.9-4.2 10700/2.1=77, ~9375=56...(28) HG2 GLU 35 - QG2 VAL 58 far 0 98 0 - 8.3-12.6 HG3 GLU 35 - QG2 VAL 58 far 0 98 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 10221 from cnoeabs.peaks (0.97, 0.68, 19.32 ppm; 3.73 A): 2 out of 5 assignments used, quality = 0.99: QG2 THR 80 + QG2 VAL 58 OK 98 100 100 99 2.5-3.5 10223/2.1=72...(16) QG2 VAL 83 + QG2 VAL 58 OK 67 99 70 96 4.1-4.8 7354/9803=52...(11) QG1 VAL 83 - QG2 VAL 58 poor 13 65 20 - 4.5-5.1 HG LEU 55 - QG2 VAL 58 far 0 99 0 - 6.8-8.0 QG2 VAL 5 - QG2 VAL 58 far 0 81 0 - 8.7-10.3 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 2.5-3.8 9763=88, 1.8/9760=74...(19) QG2 THR 31 - QG2 VAL 58 far 0 97 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 10223 from cnoeabs.peaks (0.98, 0.72, 21.78 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.96: QG2 THR 80 + QG1 VAL 58 OK 96 100 100 96 2.3-3.7 9476/9385=40...(17) QG2 VAL 83 - QG1 VAL 58 far 0 92 0 - 5.0-5.7 QG1 VAL 83 - QG1 VAL 58 far 0 82 0 - 5.7-6.3 HG LEU 55 - QG1 VAL 58 far 0 93 0 - 6.7-7.6 QG2 VAL 5 - QG1 VAL 58 far 0 63 0 - 8.1-9.2 Violated in 2 structures by 0.01 A. Peak 10224 from cnoeabs.peaks (1.89, 0.72, 21.78 ppm; 3.49 A): 1 out of 10 assignments used, quality = 0.99: HB ILE 8 + QG1 VAL 58 OK 99 100 100 100 1.9-2.9 9374/3.2=50, 295=48...(28) HB3 LYS 66 - QG1 VAL 58 far 0 82 0 - 4.9-5.6 HB3 LYS 68 - QG1 VAL 58 far 0 95 0 - 5.4-8.2 HB2 LYS 33 - QG1 VAL 58 far 0 79 0 - 8.1-10.8 HG LEU 42 - QG1 VAL 58 far 0 99 0 - 8.4-9.2 HB3 LEU 14 - QG1 VAL 58 far 0 97 0 - 8.5-9.8 HB3 LYS 33 - QG1 VAL 58 far 0 82 0 - 8.5-10.8 HB VAL 54 - QG1 VAL 58 far 0 100 0 - 8.8-9.5 HB VAL 5 - QG1 VAL 58 far 0 82 0 - 9.4-10.2 HB3 LYS 39 - QG1 VAL 58 far 0 84 0 - 9.9-11.9 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 7 assignments used, quality = 1.00: HB3 GLU 63 + QG1 VAL 58 OK 100 100 100 100 2.0-3.2 1.8/9381=58...(36) HB ILE 56 + QG1 VAL 58 OK 83 96 100 86 3.6-4.3 9729/10223=28...(12) HB3 LYS 82 - QG1 VAL 58 far 0 97 0 - 5.6-6.1 HB2 LYS 66 - QG1 VAL 58 far 0 98 0 - 5.7-6.7 HB VAL 78 - QG1 VAL 58 far 0 100 0 - 7.4-9.6 HB2 GLU 88 - QG1 VAL 58 far 0 75 0 - 9.3-10.2 HB2 LYS 39 - QG1 VAL 58 far 0 92 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 10226 from cnoeabs.peaks (3.92, 0.72, 21.78 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 63 + QG1 VAL 58 OK 100 100 100 100 3.6-3.9 3.0/9381=76...(33) HB3 SER 9 - QG1 VAL 58 far 5 100 5 - 5.6-7.6 HA GLU 35 - QG1 VAL 58 far 0 70 0 - 5.8-7.6 HA ALA 89 - QG1 VAL 58 far 0 92 0 - 7.9-9.0 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 = 0.90: HA GLU 63 + QG2 VAL 58 OK 85 85 100 100 4.2-5.1 3.0/10220=97...(26) HB3 SER 9 + QG2 VAL 58 OK 29 98 70 42 6.3-8.5 9402/6960=37, 9389/2.1=6 HA ALA 89 - QG2 VAL 58 far 0 61 0 - 7.6-8.7 HB2 SER 85 - QG2 VAL 58 far 0 65 0 - 9.7-10.7 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 99 100 100 1.9-2.2 7343/9803=48...(24) HA LEU 55 - QG2 VAL 58 far 0 59 0 - 7.9-8.8 HA ARG 79 - QG2 VAL 58 far 0 100 0 - 8.2-9.3 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 9 assignments used, quality = 1.00: QG2 VAL 32 + HB2 LEU 6 OK 100 100 100 100 2.0-3.7 10337=99, 10160/1.8=70...(16) QD2 LEU 38 + HB2 LEU 6 OK 31 96 65 50 2.6-6.6 12071/1.8=15...(9) QD1 LEU 38 - HB2 LEU 6 poor 19 88 50 43 2.8-6.4 12070/1.8=15, ~12071=11...(7) QG2 ILE 7 - HB2 LEU 6 far 3 59 5 - 4.5-6.1 QD1 LEU 57 - HB2 LEU 6 far 0 99 0 - 5.9-8.6 QG2 ILE 15 - HB2 LEU 6 far 0 81 0 - 7.0-9.6 QD1 LEU 70 - HB2 LEU 6 far 0 90 0 - 7.2-10.4 QD1 ILE 76 - HB2 LEU 6 far 0 63 0 - 8.3-10.1 QD2 LEU 70 - HB2 LEU 6 far 0 77 0 - 9.2-10.6 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 9 assignments used, quality = 1.00: QG2 VAL 32 + HA LEU 6 OK 99 99 100 100 3.4-4.3 10154=76, 10337/3.0=70...(13) QG2 ILE 7 + HA LEU 6 OK 82 85 100 97 3.9-4.2 4.0/6072=62, 8256=47...(14) QD2 LEU 57 + HA LEU 6 OK 24 81 55 55 4.4-6.4 3.1/10372=17...(10) QD2 LEU 38 - HA LEU 6 poor 20 100 20 - 4.3-8.5 QD1 LEU 38 - HA LEU 6 far 3 63 5 - 4.9-8.5 QG2 ILE 15 - HA LEU 6 far 0 97 0 - 6.0-7.3 QD1 LEU 57 - HA LEU 6 far 0 100 0 - 6.6-8.1 QG2 ILE 8 - HA LEU 6 far 0 63 0 - 7.3-8.0 QD1 LEU 70 - HA LEU 6 far 0 99 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 10231 from cnoeabs.peaks (0.85, 1.65, 44.10 ppm; 4.10 A): 3 out of 7 assignments used, quality = 0.97: QG2 VAL 32 + HB3 LEU 6 OK 92 92 100 100 2.0-4.2 10160=87, 10337/1.8=80...(16) QD1 LEU 38 + HB3 LEU 6 OK 41 99 70 58 3.2-7.2 2.1/12071=18, 12070=18...(9) QD2 LEU 38 + HB3 LEU 6 OK 32 79 65 62 2.3-6.4 10229/1.8=17...(8) HG13 ILE 8 - HB3 LEU 6 poor 7 65 35 33 4.7-6.9 2.1/206=8, 8296/4.3=8...(6) QD1 LEU 57 - HB3 LEU 6 far 0 87 0 - 6.0-8.5 QD1 LEU 70 - HB3 LEU 6 far 0 65 0 - 7.0-10.8 QG2 ILE 76 - HB3 LEU 6 far 0 73 0 - 8.0-10.4 Violated in 0 structures by 0.00 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 2.3-4.0 8698/218=62, 4.0/8717=51...(15) H VAL 83 - QD2 LEU 14 poor 11 65 35 49 4.9-5.9 7354/9806=38...(5) H ARG 30 - QD2 LEU 14 far 0 72 0 - 8.5-9.6 Violated in 0 structures by 0.00 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 1.9-2.3 9375=96, 10700/1.8=78...(32) 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 = 0.91: HB2 ASN 60 + HG2 GLU 63 OK 91 93 100 98 2.0-3.9 9423/1.8=65, 3.5/9426=48...(9) HE2 LYS 20 - HG3 GLU 16 far 10 100 10 - 3.0-9.7 HE3 LYS 20 - HG3 GLU 16 far 10 100 10 - 4.2-9.7 HE3 LYS 20 - HG2 GLU 23 far 6 56 10 - 4.8-10.3 HE3 LYS 39 - HG3 GLU 43 far 4 24 15 - 3.9-8.7 HE2 LYS 20 - HG2 GLU 23 far 3 57 5 - 5.1-10.9 HE3 LYS 90 - HG3 GLU 16 far 0 85 0 - 6.4-13.7 HE3 LYS 66 - HG2 GLU 63 far 0 99 0 - 7.5-10.7 HE2 LYS 66 - HG2 GLU 63 far 0 96 0 - 7.6-10.5 HG2 MET 21 - HG2 GLU 23 far 0 38 0 - 7.6-10.1 HB2 ASN 10 - HG2 GLU 63 far 0 95 0 - 7.7-10.7 HE3 LYS 73 - HG3 GLU 43 far 0 23 0 - 8.2-15.0 HG2 MET 21 - HG3 GLU 16 far 0 78 0 - 8.9-13.6 HE3 LYS 90 - HG2 GLU 23 far 0 42 0 - 9.7-14.9 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 = 0.97: HB VAL 58 + HA GLU 63 OK 96 96 100 100 4.5-4.9 2.1/10226=74...(25) HB3 ASP 65 + HA GLU 63 OK 23 81 30 95 5.2-6.5 7067/7061=58...(8) 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 2.1-3.4 10700=100, 9375/1.8=85...(29) HB3 ASP 65 - HB2 GLU 63 far 0 63 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 10240 from cnoeabs.peaks (4.07, 3.91, 58.27 ppm; 4.27 A): 0 out of 2 assignments used, quality = 0.00: HA LYS 66 - HA GLU 63 far 0 99 0 - 5.4-6.0 HB3 SER 59 - HA GLU 63 far 0 75 0 - 8.1-9.7 Violated in 20 structures by 1.38 A. Peak 10242 from cnoeabs.peaks (1.64, 0.86, 25.46 ppm; 3.63 A): 2 out of 15 assignments used, quality = 0.81: HD3 LYS 68 + QD2 LEU 64 OK 65 96 70 97 3.3-5.8 3.0/12320=40...(34) HD2 LYS 68 + QD2 LEU 64 OK 46 96 50 97 3.9-6.4 3.0/12320=40...(35) HG2 LYS 68 - QD2 LEU 64 poor 20 100 20 - 4.3-5.3 HB3 ARG 79 - QD1 LEU 103 far 5 52 10 - 3.0-13.6 HB2 ARG 79 - QD1 LEU 103 far 2 32 5 - 2.3-13.7 HB2 ARG 79 - QD2 LEU 64 far 0 65 0 - 8.0-10.1 HB3 ARG 79 - QD2 LEU 64 far 0 94 0 - 8.1-9.9 HD2 LYS 66 - QD2 LEU 64 far 0 68 0 - 8.2-10.2 HG2 LYS 68 - QD1 LEU 103 far 0 59 0 - 8.7-19.2 HD2 LYS 94 - QD1 LEU 103 far 0 56 0 - 8.8-20.2 HB ILE 52 - QD1 LEU 103 far 0 34 0 - 8.8-17.3 HB ILE 76 - QD1 LEU 103 far 0 58 0 - 9.2-19.3 HD2 LYS 68 - QD1 LEU 103 far 0 53 0 - 9.4-18.7 HD3 LYS 68 - QD1 LEU 103 far 0 54 0 - 9.4-18.9 HD3 LYS 94 - QD1 LEU 103 far 0 30 0 - 9.8-20.6 Violated in 8 structures by 0.35 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 99 100 100 99 1.9-4.0 10264=51, 10242/2.1=41...(36) HD2 LYS 68 + QD1 LEU 64 OK 99 100 100 99 3.2-4.5 10264=48, 1.8/10264=41...(38) HG2 LYS 68 + QD1 LEU 64 OK 99 100 100 99 2.0-4.0 12320/2.1=51...(28) HB3 ARG 79 - QD1 LEU 64 far 0 100 0 - 6.4-8.0 HB3 LEU 6 - QD1 LEU 64 far 0 100 0 - 8.5-10.4 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 1 assignment used, quality = 1.00: HB THR 80 + QD1 LEU 64 OK 100 100 100 100 2.0-3.0 9724=99, 2.1/10762=74...(27) Violated in 0 structures by 0.00 A. Peak 10245 from cnoeabs.peaks (3.66, 1.48, 27.00 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.98: HB THR 80 + HG LEU 64 OK 96 96 100 100 4.4-5.3 9724/2.1=92, 9723/2.1=71...(20) HA GLU 88 + HG3 ARG 91 OK 51 52 100 100 3.0-5.1 4024/2.8=75, 3871/2.8=61...(20) HA LYS 90 - HG3 ARG 91 far 3 51 5 - 5.1-7.7 HB THR 80 - HG LEU 38 far 0 73 0 - 8.0-12.7 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 3 assignments used, quality = 1.00: HB THR 80 + QD2 LEU 64 OK 100 100 100 100 4.0-5.5 9724/2.1=99, 9723=80...(20) HA3 GLY 100 - QD1 LEU 103 far 1 30 5 - 5.4-11.2 HB THR 80 - QD1 LEU 103 far 0 60 0 - 7.8-17.8 Violated in 5 structures by 0.08 A. Peak 10247 from cnoeabs.peaks (8.73, 0.86, 25.46 ppm; 4.44 A): 1 out of 4 assignments used, quality = 0.99: H LYS 82 + QD2 LEU 64 OK 99 99 100 100 2.5-4.1 7328/2.1=92, 10939=74...(12) H ARG 81 - QD2 LEU 64 far 8 79 10 - 5.1-6.2 H ARG 81 - QD1 LEU 103 far 0 40 0 - 7.9-17.6 H LYS 82 - QD1 LEU 103 far 0 58 0 - 9.5-18.7 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 95 95 100 100 2.8-3.7 7328=93, 10247/2.1=52...(15) H ARG 81 + QD1 LEU 64 OK 91 92 100 99 3.2-4.5 7313/10762=54...(21) 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 1 assignment used, quality = 1.00: H LYS 68 + HA LEU 64 OK 100 100 100 100 3.7-4.4 7099=100, 2985/2981=82...(10) 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 4.6/2810=85...(9) H GLU 62 + HB2 LEU 64 OK 98 99 100 100 4.8-5.4 3.6/9449=97...(10) H THR 80 - HB2 LEU 64 far 0 90 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10251 from cnoeabs.peaks (8.40, 1.49, 41.70 ppm; 5.48 A): 2 out of 3 assignments used, quality = 0.97: H GLU 63 + HB3 LEU 64 OK 96 96 100 100 5.3-5.7 4.6/7037=83...(10) H GLU 62 + HB3 LEU 64 OK 30 100 30 100 6.2-7.0 7011/7037=71...(10) H THR 80 - HB3 LEU 64 far 0 95 0 - 7.2-8.1 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 11 assignments used, quality = 1.00: HB2 LYS 82 + QD2 LEU 64 OK 100 100 100 100 2.0-3.1 1.8/10253=59, 9756=51...(18) HG3 LYS 68 - QD2 LEU 64 far 10 100 10 - 4.1-6.4 QB ALA 67 - QD2 LEU 64 far 0 100 0 - 5.2-5.6 HG3 LYS 68 - QD1 LEU 103 far 0 59 0 - 7.8-18.4 HG2 LYS 94 - QD1 LEU 103 far 0 59 0 - 7.9-18.6 HG3 LYS 94 - QD1 LEU 103 far 0 30 0 - 8.4-18.5 QB ALA 67 - QD1 LEU 103 far 0 59 0 - 9.0-17.9 QB ALA 89 - QD2 LEU 64 far 0 100 0 - 9.0-10.4 HG12 ILE 8 - QD2 LEU 64 far 0 92 0 - 9.6-10.7 QB ALA 25 - QD1 LEU 103 far 0 59 0 - 9.6-15.3 HB2 LEU 70 - QD2 LEU 64 far 0 84 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10253 from cnoeabs.peaks (1.77, 0.86, 25.46 ppm; 4.07 A): 1 out of 7 assignments used, quality = 1.00: HB3 LYS 82 + QD2 LEU 64 OK 100 100 100 100 2.4-3.9 1.8/10252=88, 9758=84...(19) HB3 GLU 63 - QD2 LEU 64 far 0 99 0 - 5.7-6.0 HB ILE 56 - QD2 LEU 64 far 0 100 0 - 6.6-7.8 HB VAL 78 - QD1 LEU 103 far 0 57 0 - 7.1-17.4 HB2 LYS 66 - QD2 LEU 64 far 0 100 0 - 8.4-9.0 HB ILE 56 - QD1 LEU 103 far 0 59 0 - 8.7-19.2 HB VAL 78 - QD2 LEU 64 far 0 99 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 10254 from cnoeabs.peaks (1.34, 0.74, 24.36 ppm; 3.40 A): 3 out of 6 assignments used, quality = 1.00: HB2 LYS 82 + QD1 LEU 64 OK 99 100 100 99 3.0-3.7 10252/2.1=62...(17) QB ALA 67 + QD1 LEU 64 OK 97 100 100 97 3.2-3.8 9732/10762=46...(21) HG3 LYS 68 + QD1 LEU 64 OK 38 99 40 96 2.0-4.8 12321/10762=35...(25) HB2 LEU 70 - QD1 LEU 64 far 0 75 0 - 7.6-9.6 HG12 ILE 8 - QD1 LEU 64 far 0 85 0 - 8.1-9.4 QB ALA 89 - QD1 LEU 64 far 0 100 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 10255 from cnoeabs.peaks (1.77, 0.74, 24.36 ppm; 4.24 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 82 + QD1 LEU 64 OK 99 99 100 100 3.8-5.1 10253/2.1=76...(16) HB ILE 56 + QD1 LEU 64 OK 69 99 75 93 4.3-5.4 9729/10762=53...(7) HB3 GLU 63 - QD1 LEU 64 far 0 100 0 - 5.6-6.0 HB VAL 78 - QD1 LEU 64 far 0 100 0 - 6.9-9.8 HB2 LYS 66 - QD1 LEU 64 far 0 100 0 - 7.0-8.0 HB2 GLU 104 - QD1 LEU 64 far 0 65 0 - 8.0-20.3 HB2 GLU 88 - QD1 LEU 64 far 0 65 0 - 9.9-11.2 Violated in 4 structures by 0.02 A. Peak 10256 from cnoeabs.peaks (0.97, 1.64, 25.26 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: QG2 THR 80 + HG2 LYS 68 OK 100 100 100 100 2.4-4.2 12321/1.8=80...(23) QG1 VAL 83 - HG2 LYS 68 far 0 65 0 - 9.7-11.8 HG LEU 55 - HG2 LYS 68 far 0 99 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 10258 from cnoeabs.peaks (0.97, 1.87, 32.18 ppm; 5.30 A): 1 out of 5 assignments used, quality = 0.99: QG2 THR 80 + HB3 LYS 68 OK 99 99 100 100 1.9-4.6 12321/2.9=87...(27) HB2 ARG 81 - HB3 LYS 68 far 0 63 0 - 7.3-12.0 QG2 VAL 5 - HB2 LYS 20 far 0 71 0 - 9.5-10.8 HG LEU 55 - HB3 LYS 68 far 0 100 0 - 9.7-13.0 QG2 THR 80 - HB3 LYS 39 far 0 95 0 - 9.7-11.9 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 8 assignments used, quality = 1.00: QG2 THR 80 + HB2 LYS 68 OK 100 100 100 100 2.4-5.0 10256/2.9=80...(19) QG2 VAL 83 - HB2 LYS 90 far 0 55 0 - 6.6-8.9 QG1 VAL 83 - HB3 LYS 90 far 0 79 0 - 6.8-8.2 QG2 VAL 83 - HB3 LYS 90 far 0 89 0 - 6.9-8.7 QG1 VAL 83 - HB2 LYS 90 far 0 47 0 - 7.0-8.5 QG2 VAL 5 - HB2 LYS 90 far 0 34 0 - 8.4-10.2 QG2 VAL 5 - HB3 LYS 90 far 0 60 0 - 8.4-10.0 QG2 THR 80 - HB3 LYS 39 far 0 73 0 - 9.7-11.9 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 2.4-4.0 9529/2.9=63...(23) QG2 VAL 5 - HA ARG 19 far 0 87 0 - 5.9-7.0 HB2 ARG 81 - HA LYS 68 far 0 63 0 - 8.4-11.6 HG LEU 55 - HA LYS 68 far 0 100 0 - 9.4-11.7 QG2 VAL 83 - HA ARG 19 far 0 99 0 - 9.6-10.5 HG LEU 55 - HA ARG 19 far 0 99 0 - 9.8-11.4 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 7 assignments used, quality = 1.00: QG2 THR 80 + HD2 LYS 68 OK 100 100 100 100 4.1-5.5 10256/3.0=86...(23) QG2 THR 80 + HD3 LYS 68 OK 100 100 100 100 3.1-5.0 10256/3.0=86...(23) QG1 VAL 83 - HD2 LYS 94 far 0 40 0 - 9.4-11.5 QG1 VAL 83 - HD3 LYS 68 far 0 82 0 - 9.4-12.2 QG2 VAL 5 - HD2 LYS 94 far 0 29 0 - 9.4-10.9 HG LEU 55 - HD3 LYS 68 far 0 93 0 - 9.8-13.5 QG2 VAL 5 - HD2 LYS 20 far 0 22 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10263 from cnoeabs.peaks (0.84, 1.65, 29.52 ppm; 3.48 A): 6 out of 39 assignments used, quality = 0.96: QD2 LEU 64 + HD3 LYS 68 OK 57 85 70 95 3.3-5.8 10242=39, 12320/3.0=31...(31) QD2 LEU 70 + HD2 LYS 39 OK 48 69 85 81 1.9-6.2 2.1/12071=19...(19) QD2 LEU 70 + HD3 LYS 39 OK 46 63 90 80 2.2-6.2 10822/4.9=18...(17) QD1 LEU 70 + HD2 LYS 39 OK 40 82 60 81 3.0-5.3 12071=20, ~10569=15...(19) QD2 LEU 64 + HD2 LYS 68 OK 32 85 40 94 3.9-6.4 10242/1.8=32...(33) QD1 LEU 70 + HD3 LYS 39 OK 21 76 35 79 3.3-5.7 12071/1.8=18, ~10569=15...(18) QD1 LEU 38 - HD2 LYS 39 poor 16 80 20 - 3.9-8.1 QD1 LEU 38 - HD3 LYS 39 far 4 74 5 - 3.7-8.6 QD1 ILE 76 - HD3 LYS 39 far 0 51 0 - 5.2-8.3 QD1 ILE 76 - HD2 LYS 39 far 0 56 0 - 5.6-8.6 QD2 LEU 2 - HD2 LYS 47 far 0 32 0 - 5.6-10.6 QD2 LEU 38 - HD3 LYS 39 far 0 83 0 - 5.7-9.1 QG2 ILE 15 - HD3 LYS 20 far 0 34 0 - 5.8-9.0 QG2 ILE 15 - HD2 LYS 20 far 0 30 0 - 5.8-8.4 QD2 LEU 38 - HD2 LYS 39 far 0 90 0 - 5.9-8.6 QD2 LEU 2 - HD3 LYS 47 far 0 30 0 - 6.4-11.4 QD1 ILE 76 - HD3 LYS 47 far 0 23 0 - 7.0-8.9 QD1 LEU 38 - HD3 LYS 68 far 0 88 0 - 7.4-10.0 QD1 ILE 76 - HD2 LYS 47 far 0 24 0 - 7.4-9.6 QD2 LEU 70 - HD2 LYS 68 far 0 77 0 - 7.4-10.0 QD1 LEU 70 - HD3 LYS 68 far 0 89 0 - 7.5-10.2 QD1 LEU 38 - HD2 LYS 68 far 0 88 0 - 7.5-9.9 QD1 LEU 70 - HD2 LYS 68 far 0 90 0 - 7.8-9.9 QD2 LEU 38 - HD3 LYS 68 far 0 96 0 - 7.8-10.5 QD2 LEU 70 - HD3 LYS 68 far 0 77 0 - 7.9-10.3 QD2 LEU 103 - HD2 LYS 68 far 0 99 0 - 8.0-17.9 QG2 ILE 7 - HD2 LYS 20 far 0 20 0 - 8.0-10.9 QD2 LEU 103 - HD3 LYS 68 far 0 98 0 - 8.1-18.1 QG2 VAL 32 - HD3 LYS 39 far 0 89 0 - 8.3-9.8 QG2 ILE 7 - HD3 LYS 20 far 0 23 0 - 8.4-11.3 QD2 LEU 38 - HD2 LYS 68 far 0 96 0 - 8.4-10.5 QG2 VAL 32 - HD2 LYS 39 far 0 95 0 - 8.6-10.1 QD1 LEU 57 - HD3 LYS 68 far 0 99 0 - 8.7-11.0 QD1 LEU 103 - HD2 LYS 94 far 0 40 0 - 8.8-20.2 QD1 ILE 76 - HD2 LYS 68 far 0 63 0 - 9.2-13.9 QD1 LEU 103 - HD2 LYS 68 far 0 82 0 - 9.4-18.7 QD1 LEU 103 - HD3 LYS 68 far 0 82 0 - 9.4-18.9 QD1 ILE 76 - HD3 LYS 68 far 0 63 0 - 9.5-13.5 QD1 LEU 57 - HD2 LYS 94 far 0 54 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10264 from cnoeabs.peaks (0.75, 1.65, 29.52 ppm; 3.59 A): 2 out of 60 assignments used, quality = 1.00: QD1 LEU 64 + HD3 LYS 68 OK 98 100 100 98 1.9-4.0 2.1/10242=37, 10243=28...(35) QD1 LEU 64 + HD2 LYS 68 OK 93 100 95 98 3.2-4.5 10243=28, 2.1/10242=26...(37) QG2 VAL 78 - HD3 LYS 68 far 4 85 5 - 4.2-9.9 QG2 VAL 78 - HD2 LYS 68 far 0 85 0 - 5.0-10.8 QD1 ILE 56 - HD3 LYS 68 far 0 59 0 - 5.3-9.8 QG1 VAL 78 - HD3 LYS 68 far 0 100 0 - 5.5-9.6 QG1 VAL 78 - HD2 LYS 68 far 0 100 0 - 5.7-10.0 QG1 VAL 58 - HD3 LYS 68 far 0 84 0 - 5.8-8.6 QD1 ILE 56 - HD2 LYS 68 far 0 59 0 - 5.9-10.5 QG2 ILE 93 - HD2 LYS 94 far 0 56 0 - 6.1-7.7 QD1 ILE 93 - HD2 LYS 20 far 0 34 0 - 6.5-9.1 QD1 ILE 93 - HD2 LYS 94 far 0 44 0 - 6.6-8.7 QD2 LEU 42 - HD2 LYS 39 far 0 84 0 - 6.6-8.0 QD2 LEU 42 - HD3 LYS 39 far 0 78 0 - 6.7-7.9 QD1 ILE 93 - HD3 LYS 20 far 0 39 0 - 6.8-9.7 QG2 ILE 52 - HD2 LYS 47 far 0 29 0 - 6.8-9.6 QG1 VAL 58 - HD2 LYS 68 far 0 84 0 - 7.0-8.7 QG2 ILE 52 - HD3 LYS 47 far 0 28 0 - 7.3-9.7 QG2 ILE 93 - HD2 LYS 20 far 0 44 0 - 7.3-10.4 QD1 ILE 8 - HD3 LYS 68 far 0 63 0 - 7.5-9.8 HG13 ILE 56 - HD3 LYS 68 far 0 73 0 - 7.5-12.4 QD2 LEU 42 - HD3 LYS 68 far 0 92 0 - 7.7-10.6 QD2 LEU 42 - HD2 LYS 68 far 0 92 0 - 7.8-11.1 QD2 LEU 14 - HD3 LYS 20 far 0 24 0 - 8.0-11.6 QD1 ILE 56 - HD2 LYS 39 far 0 53 0 - 8.0-9.9 HG13 ILE 93 - HD2 LYS 94 far 0 56 0 - 8.1-10.4 QD1 LEU 27 - HD2 LYS 94 far 0 45 0 - 8.1-9.3 QG2 ILE 93 - HD3 LYS 20 far 0 49 0 - 8.1-10.1 QG1 VAL 78 - HD2 LYS 39 far 0 96 0 - 8.2-11.0 QD1 ILE 8 - HD2 LYS 68 far 0 63 0 - 8.3-9.9 QD1 LEU 6 - HD3 LYS 39 far 0 73 0 - 8.3-9.8 QD2 LEU 14 - HD2 LYS 20 far 0 21 0 - 8.3-10.8 HG13 ILE 56 - HD2 LYS 68 far 0 73 0 - 8.4-13.1 QG1 VAL 54 - HD3 LYS 68 far 0 96 0 - 8.4-12.1 QG1 VAL 78 - HD3 LYS 39 far 0 90 0 - 8.4-11.1 QD1 LEU 6 - HD2 LYS 39 far 0 79 0 - 8.4-9.7 QD1 ILE 15 - HD2 LYS 20 far 0 41 0 - 8.5-10.9 QD1 ILE 8 - HD3 LYS 39 far 0 51 0 - 8.5-11.1 QD1 ILE 15 - HD3 LYS 20 far 0 46 0 - 8.6-11.3 QG2 VAL 78 - HD2 LYS 39 far 0 78 0 - 8.6-10.7 QD1 ILE 56 - HD3 LYS 39 far 0 48 0 - 8.6-10.1 HG3 ARG 81 - HD3 LYS 68 far 0 100 0 - 8.7-11.4 QD1 ILE 8 - HD2 LYS 39 far 0 56 0 - 8.7-10.7 QG1 VAL 5 - HD2 LYS 20 far 0 36 0 - 8.9-11.6 QD2 LEU 42 - HD3 LYS 47 far 0 38 0 - 8.9-11.3 HG13 ILE 93 - HD2 LYS 20 far 0 44 0 - 9.0-13.2 QG1 VAL 54 - HD2 LYS 47 far 0 43 0 - 9.1-12.9 QD1 LEU 6 - HD3 LYS 47 far 0 35 0 - 9.2-13.4 QG1 VAL 54 - HD2 LYS 68 far 0 96 0 - 9.2-12.9 QG2 VAL 78 - HD3 LYS 39 far 0 71 0 - 9.2-11.5 QG1 VAL 54 - HD3 LYS 47 far 0 41 0 - 9.3-13.2 HG13 ILE 15 - HD3 LYS 20 far 0 48 0 - 9.3-12.7 QD2 LEU 42 - HD2 LYS 47 far 0 40 0 - 9.3-11.1 QD1 LEU 6 - HD2 LYS 47 far 0 37 0 - 9.4-13.4 HG13 ILE 15 - HD2 LYS 20 far 0 43 0 - 9.4-12.3 QD1 LEU 6 - HD3 LYS 68 far 0 87 0 - 9.5-12.4 QG1 VAL 5 - HD3 LYS 20 far 0 41 0 - 9.5-11.8 QG1 VAL 5 - HD2 LYS 94 far 0 46 0 - 9.5-11.6 QD1 LEU 6 - HD2 LYS 68 far 0 87 0 - 9.9-12.9 HG3 ARG 81 - HD2 LYS 68 far 0 100 0 - 10.0-12.8 Violated in 2 structures by 0.01 A. Peak 10265 from cnoeabs.peaks (0.75, 2.91, 41.80 ppm; 4.47 A): 2 out of 54 assignments used, quality = 1.00: QD1 LEU 64 + HE3 LYS 68 OK 94 99 95 99 1.9-5.5 9484=45, 10264/3.0=40...(26) QD1 LEU 64 + HE2 LYS 68 OK 94 99 95 100 1.9-5.4 9484=48, 10264/3.0=40...(31) QD1 ILE 93 - HE3 LYS 90 far 5 53 10 - 4.2-8.3 QG2 VAL 78 - HE3 LYS 68 far 0 79 0 - 5.4-11.3 QG2 ILE 93 - HE2 LYS 94 far 0 96 0 - 5.5-8.2 QG2 ILE 93 - HE3 LYS 94 far 0 100 0 - 6.3-8.7 QG2 VAL 78 - HE2 LYS 68 far 0 79 0 - 6.3-10.5 QG1 VAL 58 - HE2 LYS 68 far 0 77 0 - 6.4-9.7 QG1 VAL 78 - HE3 LYS 68 far 0 100 0 - 6.5-10.3 QD1 ILE 93 - HE2 LYS 20 far 0 92 0 - 6.8-10.5 QG1 VAL 58 - HE3 LYS 68 far 0 77 0 - 6.9-9.6 QG2 ILE 93 - HE3 LYS 90 far 0 63 0 - 6.9-9.5 QD1 ILE 93 - HE2 LYS 94 far 0 86 0 - 6.9-9.4 QD1 ILE 93 - HE3 LYS 20 far 0 92 0 - 7.0-9.9 HG13 ILE 93 - HE3 LYS 90 far 0 61 0 - 7.0-11.3 HG13 ILE 15 - HE3 LYS 90 far 0 62 0 - 7.0-13.7 HG3 ARG 81 - HE3 LYS 68 far 0 99 0 - 7.0-12.9 QD1 LEU 27 - HE2 LYS 94 far 0 87 0 - 7.1-10.1 QD1 ILE 93 - HE3 LYS 94 far 0 93 0 - 7.3-9.3 QG1 VAL 78 - HE2 LYS 68 far 0 100 0 - 7.3-10.3 QD1 ILE 15 - HE3 LYS 90 far 0 61 0 - 7.6-13.1 QG1 VAL 5 - HE3 LYS 90 far 0 48 0 - 7.8-11.5 QG2 ILE 8 - HE2 LYS 66 far 0 57 0 - 7.9-10.5 QD1 LEU 64 - HE3 LYS 66 far 0 98 0 - 7.9-10.1 HG13 ILE 56 - HE3 LYS 68 far 0 65 0 - 7.9-12.9 QD1 LEU 27 - HE3 LYS 94 far 0 94 0 - 7.9-10.2 QG1 VAL 58 - HE3 LYS 66 far 0 74 0 - 8.1-9.4 QG2 ILE 8 - HE3 LYS 66 far 0 63 0 - 8.1-10.3 HG13 ILE 93 - HE2 LYS 94 far 0 94 0 - 8.2-10.8 QG1 VAL 58 - HE2 LYS 66 far 0 68 0 - 8.3-9.4 QG2 ILE 93 - HE3 LYS 20 far 0 100 0 - 8.3-10.7 HG3 ARG 81 - HE2 LYS 68 far 0 98 0 - 8.3-13.0 QD1 ILE 15 - HE2 LYS 20 far 0 99 0 - 8.6-11.8 QD1 ILE 15 - HE3 LYS 20 far 0 98 0 - 8.6-12.3 QG2 ILE 93 - HE2 LYS 20 far 0 100 0 - 8.7-10.3 QD1 LEU 64 - HE2 LYS 66 far 0 92 0 - 8.7-10.1 HG13 ILE 93 - HE3 LYS 94 far 0 99 0 - 8.7-11.3 QD2 LEU 42 - HE3 LYS 68 far 0 96 0 - 8.9-11.7 QD2 LEU 27 - HE2 LYS 94 far 0 83 0 - 8.9-12.4 QD2 LEU 42 - HE3 LYS 66 far 0 93 0 - 9.0-13.6 HG13 ILE 56 - HE2 LYS 68 far 0 65 0 - 9.0-13.1 QD2 LEU 42 - HE2 LYS 68 far 0 95 0 - 9.5-11.5 QG2 ILE 8 - HE2 LYS 68 far 0 65 0 - 9.5-13.2 QG2 VAL 78 - HE3 LYS 66 far 0 76 0 - 9.5-14.5 QD2 LEU 27 - HE3 LYS 94 far 0 90 0 - 9.8-11.9 QD1 LEU 27 - HE3 LYS 90 far 0 54 0 - 9.9-12.5 QG1 VAL 5 - HE2 LYS 94 far 0 79 0 - 9.9-12.3 QD2 LEU 42 - HE2 LYS 66 far 0 87 0 - 9.9-12.9 HG13 ILE 15 - HE2 LYS 20 far 0 100 0 - 9.9-13.1 QG2 ILE 8 - HE3 LYS 68 far 0 65 0 - 9.9-13.4 QG1 VAL 5 - HE2 LYS 20 far 0 86 0 - 10.0-12.3 QG1 VAL 54 - HE3 LYS 68 far 0 99 0 - 10.0-13.5 QG1 VAL 5 - HE3 LYS 94 far 0 86 0 - 10.0-12.6 HG13 ILE 15 - HE3 LYS 20 far 0 99 0 - 10.0-13.6 Violated in 6 structures by 0.03 A. Peak 10266 from cnoeabs.peaks (4.28, 1.65, 29.52 ppm; 3.94 A): 3 out of 6 assignments used, quality = 0.92: HA ASP 65 + HD2 LYS 68 OK 68 77 90 98 2.0-5.9 8783=35, 8783/1.8=31...(27) HA ASP 65 + HD3 LYS 68 OK 68 77 90 98 2.1-6.4 8783=36, 10268/3.0=30...(27) HA ASP 36 + HD2 LYS 39 OK 22 95 25 92 3.7-7.1 10537/3.6=55...(9) HA ASP 36 - HD3 LYS 39 far 13 89 15 - 3.8-6.6 HA SER 49 - HD3 LYS 47 far 0 21 0 - 8.3-10.4 HA SER 49 - HD2 LYS 47 far 0 23 0 - 8.3-10.9 Violated in 2 structures by 0.09 A. Peak 10267 from cnoeabs.peaks (4.30, 1.35, 25.26 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 65 + HG3 LYS 68 OK 99 99 100 100 2.8-5.8 10268/1.8=76...(25) HA ASP 36 + HG2 LYS 39 OK 27 60 45 99 4.8-6.7 10537/3.0=83...(12) Violated in 2 structures by 0.01 A. Peak 10268 from cnoeabs.peaks (4.30, 1.64, 25.26 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 65 + HG2 LYS 68 OK 99 99 100 100 1.8-4.9 7100/7109=85...(26) 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 4 assignments used, quality = 1.00: HD3 ARG 19 + HA ARG 19 OK 96 96 100 100 2.6-5.5 3.0/782=86, 3.0/809=83...(23) HD2 ARG 19 + HA ARG 19 OK 96 96 100 100 3.8-5.5 3.0/782=86, 3.0/809=83...(24) HB2 ASP 77 - HA LYS 68 far 0 95 0 - 9.7-12.0 HB3 TRP 92 - HA ARG 19 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10270 from cnoeabs.peaks (4.30, 2.91, 41.80 ppm; 4.97 A): 2 out of 7 assignments used, quality = 0.97: HA ASP 65 + HE2 LYS 68 OK 88 98 90 100 2.0-6.8 10268/3.6=57...(23) HA ASP 65 + HE3 LYS 68 OK 78 98 80 100 2.0-6.8 10268/3.6=57...(22) HA ASP 65 - HE3 LYS 66 far 10 96 10 - 5.4-8.6 HA ASP 65 - HE2 LYS 66 far 0 91 0 - 6.4-8.5 HA ASP 36 - HE2 LYS 66 far 0 91 0 - 7.8-14.1 HA ASP 36 - HE3 LYS 66 far 0 96 0 - 8.3-13.9 HA LEU 103 - HE2 LYS 68 far 0 100 0 - 9.8-22.6 Violated in 4 structures by 0.11 A. Peak 10271 from cnoeabs.peaks (0.73, 0.89, 27.84 ppm; 4.19 A): 3 out of 14 assignments used, quality = 1.00: QD2 LEU 14 + HG13 ILE 7 OK 93 93 100 100 2.4-3.4 10273/1.8=87...(20) HG13 ILE 15 + HG13 ILE 7 OK 82 82 100 100 2.9-4.0 10118=61, ~8469=51...(19) QD1 ILE 15 + HG13 ILE 7 OK 73 73 100 100 2.7-4.7 2.1/10118=64...(21) QD1 ILE 8 - HG13 ILE 7 far 9 94 10 - 5.0-6.6 QG1 VAL 58 - HG13 ILE 7 far 5 100 5 - 5.1-6.2 QG1 VAL 5 - HG13 ILE 7 far 0 100 0 - 5.6-6.5 QD1 ILE 56 - HG13 ILE 7 far 0 92 0 - 7.1-9.5 HG13 ILE 93 - HG13 ILE 7 far 0 96 0 - 7.9-9.3 HG13 ILE 56 - HG13 ILE 7 far 0 98 0 - 8.2-10.2 QG2 ILE 93 - HG13 ILE 7 far 0 88 0 - 8.4-10.1 QG1 VAL 54 - HG13 ILE 7 far 0 70 0 - 8.7-9.8 HG3 ARG 81 - HG13 ILE 7 far 0 98 0 - 9.6-12.7 QD1 LEU 64 - HG13 ILE 7 far 0 97 0 - 9.6-10.6 QG1 VAL 78 - HG13 ILE 7 far 0 94 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (0.71, 0.62, 13.69 ppm; 3.12 A): 2 out of 16 assignments used, quality = 0.98: QD2 LEU 14 + QD1 ILE 7 OK 95 100 100 95 1.7-1.8 12015/2.1=49...(26) QD1 LEU 14 + QD1 ILE 7 OK 53 65 100 81 3.2-4.0 ~10273=28, ~12015=28...(15) QG1 VAL 5 - QD1 ILE 7 far 5 98 5 - 4.0-4.7 HG13 ILE 93 - QD1 ILE 7 far 0 77 0 - 4.7-6.5 QG2 ILE 93 - QD1 ILE 7 far 0 63 0 - 5.5-7.1 QD1 ILE 8 - QD1 ILE 7 far 0 100 0 - 5.7-6.9 QG1 VAL 58 - QD1 ILE 7 far 0 100 0 - 5.7-6.3 QD2 LEU 6 - QD1 ILE 7 far 0 82 0 - 6.2-7.1 QG2 VAL 58 - QD1 ILE 7 far 0 61 0 - 6.3-7.1 QD1 ILE 56 - QD1 ILE 7 far 0 100 0 - 6.8-9.1 HG13 ILE 56 - QD1 ILE 7 far 0 100 0 - 7.9-9.7 HG3 ARG 81 - QD1 ILE 7 far 0 84 0 - 8.0-10.6 QD1 LEU 64 - QD1 ILE 7 far 0 81 0 - 8.4-9.5 QG2 VAL 78 - QD1 ILE 7 far 0 99 0 - 8.7-11.5 QG1 VAL 78 - QD1 ILE 7 far 0 73 0 - 9.2-11.6 QD2 LEU 27 - QD1 ILE 7 far 0 96 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10273 from cnoeabs.peaks (0.72, 1.42, 27.84 ppm; 3.67 A): 1 out of 14 assignments used, quality = 0.99: QD2 LEU 14 + HG12 ILE 7 OK 99 99 100 100 2.9-3.5 12015=99, 10272/2.1=52...(22) QG1 VAL 5 - HG12 ILE 7 far 15 99 15 - 4.5-5.6 HG13 ILE 15 - HG12 ILE 7 far 7 65 10 - 4.5-5.2 QG1 VAL 58 - HG12 ILE 7 far 0 100 0 - 4.8-5.8 QD1 ILE 8 - HG12 ILE 7 far 0 99 0 - 4.8-6.5 QD2 LEU 6 - HG12 ILE 7 far 0 73 0 - 6.6-7.6 QD1 ILE 56 - HG12 ILE 7 far 0 99 0 - 6.6-9.0 HG13 ILE 93 - HG12 ILE 7 far 0 85 0 - 6.7-8.3 HG13 ILE 56 - HG12 ILE 7 far 0 100 0 - 7.4-9.3 QG2 ILE 93 - HG12 ILE 7 far 0 73 0 - 7.5-9.2 HG3 ARG 81 - HG12 ILE 7 far 0 91 0 - 8.1-11.1 QD1 LEU 64 - HG12 ILE 7 far 0 88 0 - 8.7-9.5 QG1 VAL 78 - HG12 ILE 7 far 0 82 0 - 9.2-12.4 QG2 VAL 78 - HG12 ILE 7 far 0 100 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 10274 from cnoeabs.peaks (1.99, 1.72, 41.70 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.92: QE MET 74 + HB3 LEU 70 OK 84 99 85 99 3.8-6.3 9605/9544=77...(12) HB2 LYS 73 + HB3 LEU 70 OK 50 65 80 96 4.2-6.8 ~10813=44, ~10395=37...(12) HB3 MET 74 - HB3 LEU 70 poor 15 75 20 - 4.7-8.3 HB3 LYS 73 - HB3 LEU 70 far 10 63 15 - 5.2-8.0 HB2 GLU 35 - HB3 LEU 70 far 5 97 5 - 5.3-8.7 HB2 GLU 37 - HB3 LEU 70 far 0 96 0 - 8.7-10.3 Violated in 2 structures by 0.03 A. Peak 10275 from cnoeabs.peaks (2.11, 1.72, 41.70 ppm; 4.92 A): 3 out of 6 assignments used, quality = 0.99: HB2 GLU 69 + HB3 LEU 70 OK 96 98 100 98 4.6-5.7 4.6/3142=68...(14) HB3 GLU 69 + HB3 LEU 70 OK 48 98 50 98 5.4-6.8 4.6/3142=68, ~10277=46...(14) HB3 GLU 35 + HB3 LEU 70 OK 30 71 45 93 5.0-8.1 ~9549=24, 10278/3.1=21...(17) HG2 GLU 69 - HB3 LEU 70 far 0 98 0 - 6.4-7.9 HG3 GLU 37 - HB3 LEU 70 far 0 100 0 - 9.7-11.5 HB3 GLU 37 - HB3 LEU 70 far 0 98 0 - 9.7-11.3 Violated in 4 structures by 0.04 A. Peak 10276 from cnoeabs.peaks (2.00, 1.37, 41.70 ppm; 5.14 A): 2 out of 5 assignments used, quality = 1.00: QE MET 74 + HB2 LEU 70 OK 99 100 100 100 4.1-5.4 10282/3.0=73...(15) HB3 MET 74 + HB2 LEU 70 OK 28 65 55 77 5.1-8.1 4.2/12193=31...(9) HB2 GLU 35 - HB2 LEU 70 far 5 99 5 - 5.1-9.2 HB2 GLU 37 - HB2 LEU 70 far 0 91 0 - 8.8-10.4 HB3 ARG 46 - HB2 LEU 70 far 0 59 0 - 9.8-13.1 Violated in 1 structures by 0.00 A. Peak 10277 from cnoeabs.peaks (2.12, 1.37, 41.70 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.87: HB2 GLU 69 + HB2 LEU 70 OK 83 99 85 98 4.4-5.9 4.6/3133=66...(15) HB3 GLU 35 + HB2 LEU 70 OK 26 63 45 92 4.9-8.3 ~9549=24, 10278/3.1=18...(17) HB3 GLU 69 - HB2 LEU 70 far 10 99 10 - 5.2-6.7 HG2 GLU 69 - HB2 LEU 70 far 0 99 0 - 6.1-8.0 HB3 GLU 37 - HB2 LEU 70 far 0 99 0 - 10.0-11.6 HG3 GLU 37 - HB2 LEU 70 far 0 99 0 - 10.0-11.7 Violated in 13 structures by 0.22 A. Peak 10278 from cnoeabs.peaks (2.09, 0.81, 24.20 ppm; 4.03 A): 6 out of 19 assignments used, quality = 0.97: HB3 GLU 35 + QD2 LEU 70 OK 81 99 85 96 2.4-6.1 10527=33, 10527/2.1=27...(23) HB2 GLU 69 + QD2 LEU 70 OK 49 65 90 83 2.7-5.1 4.6/3166=38...(15) HB VAL 83 + QD1 LEU 57 OK 30 47 65 100 3.6-5.8 9804=81, 2.1/9808=62...(21) HB3 GLU 69 + QD2 LEU 70 OK 28 65 50 86 3.1-5.6 4.6/3166=38, ~10802=25...(13) HB3 LEU 38 + QD2 LEU 70 OK 22 94 40 60 3.1-6.7 1639/2.1=14, ~12070=13...(12) HB3 GLU 88 + QD1 LEU 57 OK 21 54 50 76 4.0-6.9 4.3/9926=38...(8) HG2 GLU 69 - QD2 LEU 70 far 3 65 5 - 4.8-7.1 HB2 MET 74 - QD2 LEU 70 far 0 81 0 - 6.0-7.6 HB2 PRO 86 - QD1 LEU 57 far 0 39 0 - 7.2-10.0 HG3 GLU 37 - QD2 LEU 70 far 0 93 0 - 7.2-10.0 HB3 PRO 86 - QD1 LEU 57 far 0 53 0 - 7.5-10.1 QE MET 21 - QD1 LEU 57 far 0 57 0 - 7.6-8.9 HB2 LEU 64 - QD1 LEU 57 far 0 47 0 - 7.8-8.5 HB3 GLU 37 - QD2 LEU 70 far 0 68 0 - 7.9-10.3 HG3 GLU 104 - QD1 LEU 57 far 0 57 0 - 8.1-20.9 HB3 GLU 43 - QD2 LEU 70 far 0 84 0 - 8.2-11.0 HB3 GLU 62 - QD2 LEU 70 far 0 100 0 - 8.4-11.8 HB2 LEU 64 - QD2 LEU 70 far 0 90 0 - 9.2-11.0 HB3 LEU 38 - QD1 LEU 57 far 0 50 0 - 9.7-12.4 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 15 assignments used, quality = 0.96: HB2 MET 74 + HA ALA 71 OK 69 100 70 99 3.2-5.6 2.9/9551=57...(11) HB2 MET 21 + HA ALA 22 OK 49 53 95 98 3.8-5.5 6347/3.0=74, ~6349=28...(14) HB3 LEU 38 + HA ALA 67 OK 49 79 85 73 3.6-6.3 3.1/1659=22, ~9526=18...(16) QE MET 21 + HA ALA 22 OK 38 39 100 97 3.4-4.2 6351/3.0=55, 8541=26...(17) HG12 ILE 93 + HA ALA 22 OK 25 40 65 96 4.1-6.1 ~10327=45, 3.2/10028=39...(13) HB3 GLU 35 - HA ALA 67 far 4 75 5 - 5.0-7.4 HB3 LEU 38 - HA ALA 71 far 0 100 0 - 5.9-9.2 HB2 GLU 23 - HA ALA 22 far 0 51 0 - 6.5-6.6 HG2 GLU 28 - HA ALA 22 far 0 60 0 - 7.6-10.5 HG3 GLU 28 - HA ALA 22 far 0 60 0 - 8.3-10.4 HB2 MET 74 - HA ALA 67 far 0 79 0 - 8.6-10.9 HB3 GLU 43 - HA ALA 71 far 0 100 0 - 8.9-10.7 HB3 GLU 62 - HA ALA 67 far 0 67 0 - 9.1-11.5 HB3 GLU 35 - HA ALA 71 far 0 98 0 - 9.2-12.1 HB2 GLU 98 - HA ALA 22 far 0 48 0 - 9.7-11.5 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 1.9-3.7 6696/12303=49...(13) HB2 TYR 41 - QE MET 74 far 0 100 0 - 5.9-6.9 HG3 GLU 44 - QE MET 74 far 0 70 0 - 6.4-8.8 HB2 TYR 4 - QE MET 74 far 0 81 0 - 9.2-10.7 HG2 GLU 48 - QE MET 74 far 0 97 0 - 9.6-12.1 HG3 GLU 69 - QE MET 74 far 0 91 0 - 9.8-11.1 Violated in 1 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 = 0.66: HA LEU 70 + QE MET 74 OK 66 99 70 96 4.7-5.9 10814/9605=48...(10) HA GLU 75 - QE MET 74 far 0 79 0 - 6.6-8.1 HB2 SER 49 - QE MET 74 far 0 81 0 - 6.9-11.4 HA GLU 69 - QE MET 74 far 0 68 0 - 8.0-9.3 Violated in 19 structures by 0.63 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 3.1-4.1 1.8/10286=62...(31) HG2 ARG 46 + QD1 ILE 76 OK 98 99 100 100 1.9-4.3 9023=63, 1.8/9021=61...(28) HG3 ARG 46 + QD1 ILE 76 OK 82 82 100 100 1.9-4.5 1.8/9023=57, 9021=54...(30) HB VAL 78 - QD1 ILE 76 far 0 70 0 - 5.3-6.7 HB2 LYS 39 - QD1 ILE 76 far 0 96 0 - 6.6-8.0 HB2 LYS 53 - QD1 ILE 76 far 0 82 0 - 9.0-10.1 HB2 LYS 68 - QD1 ILE 76 far 0 87 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 10284 from cnoeabs.peaks (1.83, 1.44, 26.75 ppm; 4.51 A): 2 out of 21 assignments used, quality = 1.00: HG2 ARG 46 + HG13 ILE 76 OK 100 100 100 100 2.0-4.7 9023/2.1=77...(28) HB VAL 5 + HG LEU 29 OK 54 54 100 100 2.1-4.2 8671/2.1=76, ~10500=57...(19) HB3 LYS 90 - HG3 ARG 91 far 13 89 15 - 4.4-8.4 HB2 LYS 90 - HG3 ARG 91 far 12 82 15 - 2.9-8.2 HB3 LYS 66 - HG LEU 38 poor 10 34 30 - 4.9-8.6 HB2 LYS 39 - HG LEU 38 poor 9 38 25 - 3.2-6.8 HB3 LYS 39 - HG LEU 38 poor 7 33 20 - 3.4-7.8 HB2 GLU 88 - HG3 ARG 91 far 0 79 0 - 5.4-7.9 HB2 LEU 42 - HG LEU 38 far 0 47 0 - 5.8-7.8 HB2 LEU 42 - HG13 ILE 76 far 0 91 0 - 5.8-7.3 HB3 LEU 57 - HG LEU 29 far 0 85 0 - 6.3-7.3 HB ILE 93 - HG3 ARG 91 far 0 71 0 - 7.0-8.7 HB ILE 93 - HG LEU 29 far 0 66 0 - 7.3-8.4 HB3 LYS 39 - HG13 ILE 76 far 0 70 0 - 8.3-11.4 HB2 LYS 68 - HG LEU 38 far 0 55 0 - 8.5-13.1 HB3 LYS 90 - HG LEU 29 far 0 84 0 - 9.0-12.7 HB3 LEU 57 - HG LEU 38 far 0 57 0 - 9.2-12.6 HB3 LEU 57 - HG3 ARG 91 far 0 89 0 - 9.2-12.9 HB2 LYS 90 - HG LEU 29 far 0 77 0 - 9.3-12.6 HB2 LYS 39 - HG13 ILE 76 far 0 77 0 - 9.4-11.7 HB2 GLU 104 - HG3 ARG 91 far 0 79 0 - 9.7-23.3 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 5 assignments used, quality = 0.87: HB3 LEU 42 + HG13 ILE 76 OK 82 96 85 100 4.3-5.6 3.1/12083=56...(26) HG2 LYS 90 + HG3 ARG 91 OK 27 90 40 74 3.4-9.1 7435/4.8=42, 3953/2.8=16...(14) HG2 ARG 30 - HG LEU 29 far 0 84 0 - 5.3-7.1 HB3 LEU 42 - HG LEU 38 far 0 52 0 - 7.2-9.1 HG2 LYS 90 - HG LEU 29 far 0 85 0 - 9.7-12.1 Violated in 11 structures by 0.08 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 95 100 100 1.8-2.7 3.0/10878=50, ~12083=34...(31) HG2 LYS 39 - QD1 ILE 76 poor 11 85 25 50 4.4-7.0 12072/9604=24...(6) QB ALA 67 - QD1 ILE 76 far 0 95 0 - 7.4-8.8 HG3 LYS 40 - QD1 ILE 76 far 0 59 0 - 8.3-9.0 HG3 LYS 68 - QD1 ILE 76 far 0 79 0 - 9.5-12.3 HB3 LEU 2 - QD1 ILE 76 far 0 98 0 - 9.8-12.2 HG2 ARG 30 - QD1 ILE 76 far 0 84 0 - 9.9-12.8 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 3.7-5.3 10906/2.1=96...(20) QD1 LEU 38 - HB VAL 78 lone 2 97 50 3 4.8-9.0 326/2595=2 QD1 LEU 103 - HB VAL 78 far 0 99 0 - 7.1-17.4 QD1 LEU 2 - HB VAL 78 far 0 99 0 - 9.0-12.8 QG1 VAL 32 - HB VAL 78 far 0 71 0 - 9.2-10.7 QD2 LEU 64 - HB VAL 78 far 0 98 0 - 9.5-12.4 HG13 ILE 8 - HB VAL 78 far 0 98 0 - 9.9-12.5 Violated in 6 structures by 0.07 A. Peak 10288 from cnoeabs.peaks (0.98, 1.78, 35.29 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.44: QG2 THR 80 + HB VAL 78 OK 44 100 55 81 5.2-7.6 ~8179=44, 12206/9686=41...(8) QG2 VAL 5 - HB VAL 78 far 0 63 0 - 7.0-9.2 HG LEU 55 - HB VAL 78 far 0 93 0 - 7.2-8.8 Violated in 18 structures by 0.95 A. Peak 10289 from cnoeabs.peaks (1.65, 0.74, 21.24 ppm; 3.64 A): 3 out of 38 assignments used, quality = 0.91: HB ILE 76 + QG1 VAL 78 OK 74 100 75 99 2.3-5.2 2.1/10906=83...(18) HB3 LEU 6 + QG1 VAL 54 OK 56 83 80 84 2.5-4.6 207=32, 3.0/10209=23...(15) HB ILE 76 + QG2 VAL 78 OK 22 68 35 91 2.5-5.6 ~10906=46, ~10287=29...(14) HB3 ARG 79 - QG2 VAL 78 poor 16 65 25 - 3.9-6.9 HB3 ARG 79 - QG1 VAL 78 far 5 99 5 - 4.5-6.9 HG2 LYS 68 - QG2 VAL 78 far 3 67 5 - 4.5-9.3 HD3 LYS 68 - QG2 VAL 78 far 3 67 5 - 4.2-9.9 HB3 LEU 6 - QG2 VAL 78 far 0 67 0 - 4.8-7.8 HB3 LEU 6 - QG1 VAL 78 far 0 100 0 - 4.8-8.6 HD2 LYS 68 - QG2 VAL 78 far 0 66 0 - 5.0-10.8 HB3 ARG 79 - QG1 VAL 54 far 0 81 0 - 5.1-7.7 HD3 LYS 68 - QG1 VAL 78 far 0 100 0 - 5.5-9.6 HG2 LYS 68 - QG1 VAL 78 far 0 100 0 - 5.6-8.8 HD2 LYS 68 - QG1 VAL 78 far 0 100 0 - 5.7-10.0 HB ILE 76 - QG1 VAL 54 far 0 83 0 - 5.9-7.2 HB ILE 52 - QG1 VAL 78 far 0 85 0 - 6.3-9.0 HB ILE 52 - QG2 VAL 78 far 0 51 0 - 6.7-10.0 HB ILE 52 - QG1 VAL 54 far 0 65 0 - 7.4-8.1 HD3 LYS 73 - QG1 VAL 78 far 0 92 0 - 7.9-11.7 HB2 LYS 40 - QG1 VAL 54 far 0 83 0 - 8.0-10.5 HB3 LYS 40 - QG1 VAL 54 far 0 44 0 - 8.1-10.6 HD2 LYS 39 - QG1 VAL 78 far 0 99 0 - 8.2-11.0 HD2 LYS 73 - QG1 VAL 78 far 0 90 0 - 8.3-11.3 HD3 LYS 68 - QG1 VAL 54 far 0 82 0 - 8.4-12.1 HD3 LYS 39 - QG1 VAL 78 far 0 100 0 - 8.4-11.1 HD2 LYS 39 - QG2 VAL 78 far 0 65 0 - 8.6-10.7 HG2 LYS 68 - QG1 VAL 54 far 0 83 0 - 8.6-11.1 HD3 LYS 73 - QG2 VAL 78 far 0 57 0 - 8.8-11.5 HD2 LYS 73 - QG2 VAL 78 far 0 55 0 - 8.9-11.2 HG3 LYS 47 - QG1 VAL 54 far 0 68 0 - 9.0-11.9 HG3 LYS 47 - QG2 VAL 78 far 0 53 0 - 9.0-13.6 HD2 LYS 47 - QG1 VAL 54 far 0 49 0 - 9.1-12.9 HD2 LYS 68 - QG1 VAL 54 far 0 82 0 - 9.2-12.9 HD3 LYS 39 - QG2 VAL 78 far 0 67 0 - 9.2-11.5 HD3 LYS 47 - QG1 VAL 54 far 0 48 0 - 9.3-13.2 HG3 LYS 47 - QG1 VAL 78 far 0 88 0 - 9.4-13.2 HB2 LYS 40 - QG1 VAL 78 far 0 100 0 - 9.5-11.6 HB2 LYS 40 - QG2 VAL 78 far 0 68 0 - 10.0-11.8 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 31 assignments used, quality = 0.98: QB ALA 71 + QG1 VAL 78 OK 95 99 100 96 1.7-2.7 10835/2.1=42, 9553=39...(26) QB ALA 71 + QG2 VAL 78 OK 61 65 100 94 1.7-3.0 10835/2.1=42, 9553=37...(22) QB ALA 71 - QG1 VAL 54 far 0 80 0 - 4.3-5.4 HG13 ILE 76 - QG1 VAL 78 far 0 96 0 - 4.3-7.5 HG13 ILE 76 - QG2 VAL 78 far 0 61 0 - 4.8-8.0 HG13 ILE 52 - QG2 VAL 78 far 0 36 0 - 5.1-9.3 HG13 ILE 52 - QG1 VAL 54 far 0 46 0 - 5.4-6.4 HB2 LEU 38 - QG2 VAL 78 far 0 38 0 - 5.5-8.4 HG13 ILE 52 - QG1 VAL 78 far 0 63 0 - 5.6-7.7 HB2 LEU 38 - QG1 VAL 54 far 0 49 0 - 5.7-8.0 HG LEU 38 - QG2 VAL 78 far 0 33 0 - 5.7-9.3 HG LEU 29 - QG1 VAL 54 far 0 76 0 - 5.8-6.9 HB2 LEU 38 - QG1 VAL 78 far 0 68 0 - 6.0-8.6 HG LEU 38 - QG1 VAL 78 far 0 59 0 - 6.1-8.7 HG LEU 38 - QG1 VAL 54 far 0 43 0 - 6.2-8.6 HD2 LYS 53 - QG1 VAL 78 far 0 59 0 - 6.4-9.0 HD2 LYS 53 - QG2 VAL 78 far 0 33 0 - 6.6-9.4 QB ALA 22 - QG1 VAL 54 far 0 76 0 - 6.7-7.5 HG3 LYS 39 - QG1 VAL 78 far 0 91 0 - 6.9-9.6 HG3 LYS 39 - QG2 VAL 78 far 0 56 0 - 7.2-10.4 HB2 LEU 27 - QG1 VAL 54 far 0 46 0 - 7.4-8.7 HG13 ILE 76 - QG1 VAL 54 far 0 76 0 - 7.6-8.7 HD2 LYS 53 - QG1 VAL 54 far 0 43 0 - 7.7-9.1 HG12 ILE 7 - QG1 VAL 54 far 0 83 0 - 8.0-8.9 HG3 LYS 39 - QG1 VAL 54 far 0 70 0 - 8.6-10.5 HG LEU 29 - QG1 VAL 78 far 0 96 0 - 8.9-11.8 HG LEU 29 - QG2 VAL 78 far 0 61 0 - 9.0-11.8 HG12 ILE 7 - QG1 VAL 78 far 0 100 0 - 9.2-12.4 HG12 ILE 7 - QG2 VAL 78 far 0 67 0 - 9.2-12.0 QB ALA 22 - QG1 VAL 78 far 0 96 0 - 9.3-11.8 QB ALA 22 - QG2 VAL 78 far 0 61 0 - 9.6-11.4 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 38 assignments used, quality = 0.85: HB ILE 76 + QG1 VAL 78 OK 47 67 75 94 2.3-5.2 2.1/10906=37, ~10287=29...(16) HB ILE 76 + QG2 VAL 78 OK 34 100 35 96 2.5-5.6 ~10906=47, ~10287=29...(16) HB3 LEU 6 + QG1 VAL 5 OK 30 74 50 82 4.3-5.4 6065/4.1=41, 3.0/8178=18...(16) HB2 ARG 79 + QG2 VAL 78 OK 24 57 50 83 4.1-6.8 4.1/7286=35, 9690/3.2=17...(17) HB3 ARG 79 + QG2 VAL 78 OK 21 97 25 87 3.9-6.9 7290/4.3=37, 9690/3.2=17...(20) HG2 LYS 68 - QG2 VAL 78 far 5 100 5 - 4.5-9.3 HD3 LYS 68 - QG2 VAL 78 far 5 99 5 - 4.2-9.9 HB2 ARG 79 - QG1 VAL 78 far 5 32 15 - 4.2-6.9 HB3 ARG 79 - QG1 VAL 78 far 3 62 5 - 4.5-6.9 HB3 LEU 6 - QG2 VAL 78 far 0 99 0 - 4.8-7.8 HB3 LEU 6 - QG1 VAL 78 far 0 66 0 - 4.8-8.6 HD2 LYS 68 - QG2 VAL 78 far 0 98 0 - 5.0-10.8 HD3 LYS 68 - QG1 VAL 78 far 0 64 0 - 5.5-9.6 HG2 LYS 68 - QG1 VAL 78 far 0 68 0 - 5.6-8.8 HD2 LYS 68 - QG1 VAL 78 far 0 64 0 - 5.7-10.0 HB2 ARG 79 - QG1 VAL 5 far 0 37 0 - 5.9-8.7 HB3 ARG 79 - QG1 VAL 5 far 0 70 0 - 6.0-8.6 HB2 ARG 30 - QG1 VAL 5 far 0 41 0 - 6.2-7.5 HB ILE 52 - QG1 VAL 78 far 0 45 0 - 6.3-9.0 HB ILE 52 - QG2 VAL 78 far 0 77 0 - 6.7-10.0 HD3 LYS 73 - QG1 VAL 78 far 0 51 0 - 7.9-11.7 HD2 LYS 39 - QG1 VAL 78 far 0 62 0 - 8.2-11.0 HD2 LYS 73 - QG1 VAL 78 far 0 49 0 - 8.3-11.3 HD3 LYS 39 - QG1 VAL 78 far 0 68 0 - 8.4-11.1 HD2 LYS 39 - QG2 VAL 78 far 0 97 0 - 8.6-10.7 HD3 LYS 73 - QG2 VAL 78 far 0 85 0 - 8.8-11.5 HD2 LYS 20 - QG1 VAL 5 far 0 41 0 - 8.9-11.6 HB2 ARG 30 - QG2 VAL 78 far 0 63 0 - 8.9-11.2 HD2 LYS 73 - QG2 VAL 78 far 0 82 0 - 8.9-11.2 HB2 ARG 30 - QG1 VAL 78 far 0 36 0 - 9.0-11.2 HG3 LYS 47 - QG2 VAL 78 far 0 94 0 - 9.0-13.6 HD3 LYS 39 - QG2 VAL 78 far 0 100 0 - 9.2-11.5 HG3 LYS 20 - QG1 VAL 5 far 0 45 0 - 9.4-11.5 HG3 LYS 47 - QG1 VAL 78 far 0 59 0 - 9.4-13.2 HD3 LYS 20 - QG1 VAL 5 far 0 45 0 - 9.5-11.8 HB2 LYS 40 - QG1 VAL 78 far 0 67 0 - 9.5-11.6 HD2 LYS 94 - QG1 VAL 5 far 0 68 0 - 9.5-11.6 HB2 LYS 40 - QG2 VAL 78 far 0 100 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 10292 from cnoeabs.peaks (1.42, 0.72, 21.10 ppm; 2.88 A): 3 out of 18 assignments used, quality = 0.99: QB ALA 71 + QG2 VAL 78 OK 95 100 100 95 1.7-3.0 10835/2.1=41, 9553=35...(23) QB ALA 71 + QG1 VAL 78 OK 63 67 100 94 1.7-2.7 10835/2.1=41, 9553=37...(23) HG LEU 29 + QG1 VAL 5 OK 54 64 95 88 2.1-4.3 ~8671=22, ~10500=22...(17) QB ALA 22 - QG1 VAL 5 poor 14 64 35 62 3.2-4.6 8578/2.1=22, ~8576=14...(10) HG13 ILE 76 - QG1 VAL 78 far 0 56 0 - 4.3-7.5 HG12 ILE 7 - QG1 VAL 5 far 0 74 0 - 4.5-5.6 HG13 ILE 76 - QG2 VAL 78 far 0 91 0 - 4.8-8.0 HG3 LYS 39 - QG1 VAL 78 far 0 50 0 - 6.9-9.6 HG3 LYS 39 - QG2 VAL 78 far 0 84 0 - 7.2-10.4 HG3 ARG 91 - QG1 VAL 5 far 0 41 0 - 7.9-10.9 QB ALA 71 - QG1 VAL 5 far 0 75 0 - 8.0-9.0 HG LEU 29 - QG1 VAL 78 far 0 57 0 - 8.9-11.8 HG3 LYS 94 - QG1 VAL 5 far 0 44 0 - 8.9-10.5 HG LEU 29 - QG2 VAL 78 far 0 92 0 - 9.0-11.8 HG12 ILE 7 - QG1 VAL 78 far 0 65 0 - 9.2-12.4 HG12 ILE 7 - QG2 VAL 78 far 0 99 0 - 9.2-12.0 QB ALA 22 - QG1 VAL 78 far 0 57 0 - 9.3-11.8 QB ALA 22 - QG2 VAL 78 far 0 92 0 - 9.6-11.4 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 2.0-3.1 9302=78, 9729/3.2=60...(26) HD2 ARG 81 - HA THR 80 poor 19 77 25 - 3.8-6.8 HB VAL 78 - HA THR 80 far 0 85 0 - 5.0-7.3 HB3 LYS 82 - HA THR 80 far 0 99 0 - 7.3-8.5 HB VAL 78 - HA ILE 52 far 0 53 0 - 7.9-11.1 HB3 GLU 63 - HA THR 80 far 0 88 0 - 8.4-9.6 HB3 LEU 70 - HA THR 80 far 0 57 0 - 8.6-11.1 HB2 GLU 28 - HA ILE 52 far 0 65 0 - 9.6-10.8 HG3 ARG 46 - HA ILE 52 far 0 44 0 - 9.6-11.8 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 1.9-4.3 9998=100, 2.6/9796=77...(25) Violated in 2 structures by 0.02 A. Peak 10296 from cnoeabs.peaks (10.29, 0.96, 21.21 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.90: HE1 TRP 92 + QG2 VAL 83 OK 90 100 90 100 4.6-6.8 9998/2.1=99, 2.6/9782=85...(21) Violated in 6 structures by 0.21 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 3.0-3.8 10299/1.8=58, 9861=57...(13) Violated in 0 structures by 0.00 A. Peak 10299 from cnoeabs.peaks (7.70, 2.08, 30.05 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.56: H SER 85 + HB3 GLU 88 OK 43 98 45 98 3.4-5.0 10297/1.8=61...(14) H SER 49 + HB3 GLU 48 OK 22 23 100 97 2.0-4.3 4.6=56, 6798/3.0=53...(10) HD22 ASN 51 - HB3 GLU 48 far 0 27 0 - 7.0-11.0 Violated in 11 structures by 0.03 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 3.3-5.7 10297/3.0=78...(12) Violated in 9 structures by 0.14 A. Peak 10302 from cnoeabs.peaks (7.70, 1.94, 36.78 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.98: H SER 85 + HG3 GLU 88 OK 98 98 100 100 2.7-5.7 10301/1.8=93...(12) Violated in 1 structures by 0.01 A. Peak 10305 from cnoeabs.peaks (3.90, 2.14, 36.78 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.99: HB2 SER 85 + HG2 GLU 88 OK 99 100 100 99 2.8-5.6 8599/3886=72...(9) HA ALA 89 - HG2 GLU 88 far 5 100 5 - 6.0-6.6 HA ARG 91 - HG2 GLU 88 far 0 99 0 - 7.1-9.6 Violated in 1 structures by 0.02 A. Peak 10306 from cnoeabs.peaks (3.89, 2.08, 30.05 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.96: HA ALA 89 + HB3 GLU 88 OK 94 100 95 99 4.0-5.4 3.0/3885=59, 2.1/9916=51...(15) HB2 SER 85 + HB3 GLU 88 OK 33 99 35 94 3.4-5.7 8599/3879=50...(9) HA ARG 91 - HB3 GLU 88 far 0 100 0 - 7.1-8.0 HA GLU 43 - HB3 GLU 48 far 0 29 0 - 9.1-10.5 Violated in 15 structures by 0.07 A. Peak 10307 from cnoeabs.peaks (3.91, 1.81, 30.05 ppm; 4.53 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 89 + HB2 GLU 88 OK 98 99 100 100 3.9-4.6 3.0/7402=80...(16) HB2 SER 85 + HB2 GLU 88 OK 98 99 100 99 3.3-4.6 8599/7393=61...(11) HB2 SER 102 - HB2 GLU 104 poor 18 81 60 36 2.8-8.4 4.0/10111=30, 7549/7664=8 HA3 GLY 101 - HB2 GLU 104 far 4 79 5 - 3.1-11.5 HA ARG 91 - HB2 GLU 88 far 0 87 0 - 7.7-8.3 HB3 SER 9 - HB2 GLU 88 far 0 97 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 10308 from cnoeabs.peaks (2.08, 1.81, 32.09 ppm; 3.87 A): 6 out of 23 assignments used, quality = 0.89: QE MET 21 + HB3 LYS 90 OK 42 73 60 95 3.2-5.7 8543/3.0=53, 8539/4.1=30...(26) HB2 MET 21 + HB3 LYS 90 OK 36 46 85 93 3.1-6.2 9948/3.0=25, ~3920=24...(28) HB3 LEU 38 + HB2 LYS 39 OK 31 86 40 91 3.8-6.0 6599/6604=55...(14) QE MET 21 + HB2 LYS 90 OK 28 98 30 95 3.4-6.2 8543/3.0=53, 8539/4.1=30...(26) HB3 PRO 86 + HB2 LYS 90 OK 23 93 30 81 4.4-8.3 9944/4.1=39...(9) HB2 MET 21 + HB2 LYS 90 OK 22 68 35 94 2.9-6.0 9948/3.0=25, ~3920=24...(28) HB3 GLU 35 - HB2 LYS 39 poor 18 90 20 - 4.1-7.0 HB2 PRO 86 - HB3 LYS 90 far 2 47 5 - 4.6-9.0 HB3 PRO 86 - HB3 LYS 90 far 0 68 0 - 4.8-8.5 HB2 PRO 86 - HB2 LYS 90 far 0 70 0 - 5.5-8.8 HB2 LEU 64 - HB2 LYS 68 far 0 47 0 - 6.1-8.0 HB3 GLU 43 - HB2 LYS 39 far 0 78 0 - 6.5-8.3 HG3 GLU 37 - HB2 LYS 39 far 0 74 0 - 6.8-7.6 HB3 GLU 88 - HB2 LYS 90 far 0 99 0 - 7.1-8.8 HB3 GLU 88 - HB3 LYS 90 far 0 76 0 - 7.3-9.1 HB2 MET 74 - HB2 LYS 39 far 0 75 0 - 7.4-9.0 HG3 GLU 104 - HB2 LYS 68 far 0 62 0 - 7.5-24.5 HB2 GLU 16 - HB2 LYS 90 far 0 99 0 - 7.6-12.9 HB2 GLU 16 - HB3 LYS 90 far 0 75 0 - 7.8-12.6 HB VAL 83 - HB2 LYS 90 far 0 82 0 - 8.3-10.3 HB VAL 83 - HB3 LYS 90 far 0 58 0 - 8.4-10.2 HB3 LEU 38 - HB2 LYS 68 far 0 61 0 - 9.2-12.5 HB3 GLU 35 - HB2 LYS 68 far 0 65 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 10309 from cnoeabs.peaks (2.08, 1.83, 32.09 ppm; 3.74 A): 3 out of 28 assignments used, quality = 0.80: QE MET 21 + HB3 LYS 90 OK 50 98 55 93 3.2-5.7 8543/3.0=49, 8539/4.1=28...(26) HB2 MET 21 + HB3 LYS 90 OK 49 68 80 91 3.1-6.2 9948/3.0=23, ~3920=22...(27) QE MET 21 + HB2 LYS 90 OK 20 73 30 93 3.4-6.2 8543/3.0=49, 8539/4.1=28...(26) HB2 MET 21 - HB2 LYS 90 poor 14 46 30 - 2.9-6.0 HB3 PRO 86 - HB2 LYS 90 far 10 68 15 - 4.4-8.3 HB3 GLU 35 - HB3 LYS 66 poor 9 35 25 - 3.8-6.7 HB2 PRO 86 - HB3 LYS 90 far 3 70 5 - 4.6-9.0 HB3 PRO 86 - HB3 LYS 90 far 0 93 0 - 4.8-8.5 HB3 GLU 62 - HB3 LYS 66 far 0 35 0 - 4.9-7.9 HB3 GLU 35 - HB3 LYS 39 far 0 60 0 - 5.0-8.7 HB3 GLU 43 - HB3 LYS 39 far 0 49 0 - 5.1-8.1 HB3 LEU 38 - HB3 LYS 39 far 0 56 0 - 5.3-7.2 HB2 PRO 86 - HB2 LYS 90 far 0 47 0 - 5.5-8.8 HB3 LEU 38 - HB3 LYS 66 far 0 33 0 - 5.7-9.2 HB2 LEU 64 - HB2 LYS 68 far 0 79 0 - 6.1-8.0 HB2 MET 74 - HB3 LYS 39 far 0 47 0 - 6.4-8.6 HB2 LEU 64 - HB3 LYS 66 far 0 25 0 - 6.4-7.2 HB3 GLU 88 - HB2 LYS 90 far 0 76 0 - 7.1-8.8 HG3 GLU 37 - HB3 LYS 39 far 0 46 0 - 7.3-8.9 HB3 GLU 88 - HB3 LYS 90 far 0 99 0 - 7.3-9.1 HG3 GLU 104 - HB2 LYS 68 far 0 96 0 - 7.5-24.5 HB2 GLU 16 - HB2 LYS 90 far 0 75 0 - 7.6-12.9 HB2 GLU 16 - HB3 LYS 90 far 0 99 0 - 7.8-12.6 HB VAL 83 - HB2 LYS 90 far 0 58 0 - 8.3-10.3 HB VAL 83 - HB3 LYS 90 far 0 82 0 - 8.4-10.2 HB3 LEU 38 - HB2 LYS 68 far 0 95 0 - 9.2-12.5 HG3 GLU 37 - HB3 LYS 66 far 0 27 0 - 9.3-13.1 HB3 GLU 35 - HB2 LYS 68 far 0 98 0 - 9.8-13.6 Violated in 9 structures by 0.07 A. Peak 10310 from cnoeabs.peaks (2.02, 1.29, 25.29 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.91: HB3 GLU 17 + HG2 LYS 90 OK 87 94 95 98 3.6-5.5 12029/1.8=57, ~12027=52...(19) HB2 MET 21 + HG2 LYS 90 OK 32 84 40 96 3.9-7.0 9948/3915=44...(23) HB3 LYS 94 - HG2 LYS 90 far 0 100 0 - 5.9-8.4 HG12 ILE 93 - HG2 LYS 90 far 0 98 0 - 6.4-8.6 Violated in 11 structures by 0.13 A. Peak 10311 from cnoeabs.peaks (2.08, 1.58, 25.29 ppm; 5.00 A): 6 out of 14 assignments used, quality = 0.99: HB3 PRO 86 + HG3 LYS 90 OK 77 93 85 98 3.9-6.5 9944/7420=71...(10) QE MET 21 + HG2 LYS 24 OK 71 74 100 96 2.8-5.2 8540/3.7=65...(7) QE MET 21 + HG3 LYS 90 OK 49 98 50 99 4.3-7.1 8543/3916=68...(22) HB2 MET 21 + HG3 LYS 90 OK 37 68 55 99 4.1-7.2 10309/2.8=37, ~12042=36...(21) HB2 PRO 86 + HG3 LYS 90 OK 30 70 50 88 4.0-7.6 4.9/9910=53, ~11077=52...(10) HB2 GLU 23 + HG2 LYS 24 OK 21 79 30 89 5.5-7.3 4.6/6385=63, ~10461=26...(11) HB2 MET 74 - HG3 LYS 73 poor 14 54 25 - 4.8-8.2 HB2 MET 21 - HG2 LYS 24 far 2 46 5 - 5.7-7.9 HB2 GLU 16 - HG3 LYS 12 far 0 71 0 - 6.0-9.1 HB3 GLU 88 - HG3 LYS 90 far 0 99 0 - 7.2-9.4 HB3 LEU 38 - HG3 LYS 73 far 0 64 0 - 7.2-13.5 HB3 GLU 35 - HG3 LYS 73 far 0 68 0 - 7.6-13.0 HB VAL 83 - HG3 LYS 90 far 0 82 0 - 8.2-10.2 HB2 GLU 16 - HG3 LYS 90 far 0 99 0 - 8.4-10.6 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 7 assignments used, quality = 0.99: QE MET 21 + HA LYS 90 OK 99 99 100 100 3.0-5.2 8543=98, 3.4/3920=69...(24) HB3 PRO 86 - HA LYS 90 far 0 100 0 - 6.3-8.5 HB2 PRO 86 - HA LYS 90 far 0 99 0 - 6.7-8.8 HB3 GLU 88 - HA LYS 90 far 0 75 0 - 7.5-8.3 HB VAL 83 - HA LYS 90 far 0 100 0 - 8.2-9.1 HG2 GLU 88 - HA LYS 90 far 0 71 0 - 8.7-9.9 HB2 GLU 16 - HA LYS 90 far 0 71 0 - 9.0-12.2 Violated in 6 structures by 0.15 A. Peak 10313 from cnoeabs.peaks (4.22, 1.68, 29.27 ppm; 5.40 A): 3 out of 15 assignments used, quality = 0.99: HA ASP 87 + HD3 LYS 90 OK 86 86 100 100 2.3-5.8 9910/2.9=85, 9907/3.0=85...(14) HB THR 31 + HG12 ILE 15 OK 82 82 100 100 3.5-4.7 ~8467=84, ~8463=74...(14) HA ASP 87 + HB3 ARG 91 OK 77 100 80 96 4.5-6.7 9963/3.9=71...(11) HB THR 31 - HD3 LYS 12 far 0 68 0 - 6.4-10.9 HB3 SER 85 - HD3 LYS 90 far 0 55 0 - 6.7-10.2 HB THR 31 - HD2 LYS 12 far 0 68 0 - 7.0-10.0 HB3 SER 85 - HB3 ARG 91 far 0 71 0 - 7.4-10.4 HA ASP 87 - HD2 LYS 20 far 0 99 0 - 8.0-12.5 HA SER 49 - HD3 LYS 47 far 0 91 0 - 8.3-10.4 HA SER 49 - HD2 LYS 47 far 0 91 0 - 8.3-10.9 HA ASP 87 - HD3 LYS 20 far 0 97 0 - 8.7-12.8 HB3 SER 85 - HD2 LYS 13 far 0 32 0 - 9.1-12.7 HA ASP 87 - HD2 LYS 13 far 0 54 0 - 9.1-13.1 HA ASP 87 - HD3 LYS 13 far 0 51 0 - 9.5-13.7 HB3 SER 85 - HD3 LYS 13 far 0 30 0 - 9.9-13.5 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 2.1-5.1 9907=97, 9906/1.8=75...(15) HA SER 49 - HE2 LYS 53 far 0 81 0 - 7.5-11.6 HA SER 49 - HE3 LYS 53 far 0 74 0 - 8.0-12.1 Violated in 1 structures by 0.03 A. Peak 10315 from cnoeabs.peaks (4.20, 1.70, 29.44 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.90: HA ASP 87 + HD3 LYS 90 OK 84 88 95 100 2.3-5.8 9910/2.9=61, 9907/3.0=60...(14) HA ASP 87 + HB3 ARG 91 OK 36 70 60 87 4.5-6.7 9963/3.9=45...(11) HB3 SER 85 - HD3 LYS 90 far 0 99 0 - 6.7-10.2 HB3 SER 85 - HB3 ARG 91 far 0 83 0 - 7.4-10.4 HA ASP 87 - HD2 LYS 20 far 0 53 0 - 8.0-12.5 HA ASP 87 - HD3 LYS 20 far 0 48 0 - 8.7-12.8 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 1.9-5.5 9910/2.9=71, 9907/3.0=70...(14) HB3 SER 85 - HD2 LYS 90 far 0 93 0 - 6.4-10.0 Violated in 1 structures by 0.03 A. Peak 10317 from cnoeabs.peaks (4.83, 7.43, 120.39 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.96: HA TRP 92 + HE3 TRP 92 OK 96 99 100 97 2.1-5.1 4.8=80, 4092/12282=41...(7) HA VAL 83 - HE3 TRP 92 far 7 73 10 - 5.1-9.9 Violated in 2 structures by 0.06 A. Peak 10318 from cnoeabs.peaks (2.12, 0.77, 14.14 ppm; 4.35 A): 1 out of 7 assignments used, quality = 0.93: QE MET 21 + QD1 ILE 93 OK 93 93 100 100 3.5-5.0 10319/3.1=59...(24) HB3 PRO 86 - QD1 ILE 93 far 0 98 0 - 6.6-8.4 HB2 PRO 86 - QD1 ILE 93 far 0 100 0 - 6.9-8.7 HB VAL 83 - QD1 ILE 93 far 0 100 0 - 6.9-8.1 HB3 GLU 23 - QD1 ILE 93 far 0 65 0 - 7.0-8.8 HB2 GLU 23 - QD1 ILE 93 far 0 75 0 - 8.3-9.6 HG2 GLU 88 - QD1 ILE 93 far 0 87 0 - 8.3-9.5 Violated in 3 structures by 0.05 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 2.1-3.7 8552=58, 3.4/10012=45...(30) HB2 GLU 23 - QG2 ILE 93 far 0 98 0 - 7.2-8.2 HG3 GLU 28 - QG2 ILE 93 far 0 65 0 - 7.8-9.8 HG2 GLU 28 - QG2 ILE 93 far 0 65 0 - 7.8-10.0 HB3 GLU 88 - QG2 ILE 93 far 0 90 0 - 9.1-10.8 HB3 PRO 86 - QG2 ILE 93 far 0 100 0 - 9.5-10.9 HB2 GLU 16 - QG2 ILE 93 far 0 87 0 - 9.5-11.3 HB VAL 83 - QG2 ILE 93 far 0 98 0 - 9.6-11.0 HB2 PRO 86 - QG2 ILE 93 far 0 92 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10320 from cnoeabs.peaks (1.34, 0.75, 17.00 ppm; 3.93 A): 2 out of 8 assignments used, quality = 1.00: QB ALA 25 + QG2 ILE 93 OK 98 100 100 98 2.5-3.6 8624/10319=45, 8621=33...(19) HB3 LEU 27 + QG2 ILE 93 OK 83 100 90 92 3.7-5.2 8634/10322=44...(13) QB ALA 89 - QG2 ILE 93 far 0 100 0 - 5.1-6.6 HG2 LYS 94 - QG2 ILE 93 far 0 100 0 - 5.1-6.4 HG3 LYS 94 - QG2 ILE 93 far 0 61 0 - 5.2-6.5 HB3 ARG 30 - QG2 ILE 93 far 0 81 0 - 8.6-10.7 HG LEU 14 - QG2 ILE 93 far 0 100 0 - 8.7-10.2 HB3 LEU 2 - QG2 ILE 93 far 0 99 0 - 9.1-11.6 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 = 1.00: QB ALA 89 + QD1 ILE 93 OK 100 100 100 100 2.2-3.6 9932=99, 12030/8480=38...(17) QB ALA 25 - QD1 ILE 93 far 0 100 0 - 5.1-6.1 HB3 LEU 27 - QD1 ILE 93 far 0 99 0 - 5.5-7.6 HG LEU 14 - QD1 ILE 93 far 0 96 0 - 5.6-7.0 HG2 LYS 94 - QD1 ILE 93 far 0 100 0 - 5.7-8.1 HB3 ARG 30 - QD1 ILE 93 far 0 63 0 - 8.0-9.6 QB ALA 67 - QD1 ILE 93 far 0 100 0 - 9.0-10.2 HG12 ILE 8 - QD1 ILE 93 far 0 79 0 - 9.0-10.4 HG LEU 3 - QD1 ILE 93 far 0 68 0 - 9.8-11.8 Violated in 2 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 2.2-3.1 8176/3.2=39, ~10198=28...(26) HG LEU 55 - QG2 ILE 93 far 0 82 0 - 5.2-7.0 QG2 VAL 83 - QG2 ILE 93 far 0 84 0 - 7.6-8.8 HB2 ARG 81 - QG2 ILE 93 far 0 100 0 - 9.2-10.9 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 4.7-6.5 9932/3.2=99...(12) QB ALA 25 + HB ILE 93 OK 96 100 100 96 4.4-5.6 10320/2.1=54, ~8613=37...(12) HG2 LYS 94 + HB ILE 93 OK 46 100 50 92 4.7-7.0 4208/7507=79...(7) HB3 LEU 27 - HB ILE 93 far 0 100 0 - 6.8-8.6 HG LEU 14 - HB ILE 93 far 0 98 0 - 8.9-10.6 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 = 0.98: HB2 SER 97 + QG2 ILE 93 OK 94 99 100 94 3.4-4.9 4349/12249=71...(9) HB3 SER 97 + QG2 ILE 93 OK 71 82 95 91 4.1-5.9 4355/12249=52...(10) 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 5 assignments used, quality = 1.00: HA ALA 89 + QD1 ILE 93 OK 100 100 100 100 3.1-4.3 2.1/9932=99...(12) HA LYS 94 + QD1 ILE 93 OK 62 73 85 99 5.6-5.9 3.0/4169=70...(15) HA ARG 91 + QD1 ILE 93 OK 42 99 45 93 5.0-6.5 3.6/9983=44...(12) HB3 SER 9 - QD1 ILE 93 far 0 81 0 - 8.0-9.4 HB2 SER 85 - QD1 ILE 93 far 0 100 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 10326 from cnoeabs.peaks (1.44, 0.75, 17.00 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: QB ALA 22 + QG2 ILE 93 OK 99 99 100 99 1.9-3.2 10327/3.1=49...(28) HB2 LEU 27 + QG2 ILE 93 OK 89 97 100 92 3.0-4.2 8633/10322=39...(14) HG LEU 29 - QG2 ILE 93 far 0 99 0 - 5.1-6.3 HG2 LYS 20 - QG2 ILE 93 far 0 97 0 - 6.6-9.1 HG12 ILE 7 - QG2 ILE 93 far 0 93 0 - 7.5-9.2 HG3 ARG 91 - QG2 ILE 93 far 0 99 0 - 7.6-9.0 HG3 LYS 53 - QG2 ILE 93 far 0 85 0 - 9.1-11.3 HD2 LYS 53 - QG2 ILE 93 far 0 96 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 10327 from cnoeabs.peaks (1.43, 0.77, 14.14 ppm; 3.73 A): 1 out of 6 assignments used, quality = 0.97: QB ALA 22 + QD1 ILE 93 OK 97 100 100 97 2.7-4.1 6353/11004=42, 8579=29...(26) HG LEU 29 - QD1 ILE 93 poor 16 100 35 45 4.1-5.2 8484/10020=16...(8) HG12 ILE 7 - QD1 ILE 93 far 0 99 0 - 4.6-6.0 HB2 LEU 27 - QD1 ILE 93 far 0 88 0 - 5.1-6.8 HG2 LYS 20 - QD1 ILE 93 far 0 88 0 - 5.5-9.5 HG3 ARG 91 - QD1 ILE 93 far 0 94 0 - 5.8-8.4 Violated in 5 structures by 0.05 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 3.0-4.0 9220=89, 10203/8119=80...(13) HA VAL 78 + QE PHE 96 OK 77 92 100 84 4.5-5.7 11101/9218=67...(10) HA TYR 4 + QE PHE 96 OK 62 62 100 100 4.0-5.7 3.0/8119=98, ~8120=62...(9) Violated in 0 structures by 0.00 A. Peak 10332 from cnoeabs.peaks (1.43, 1.69, 29.43 ppm; 2.74 A): 5 out of 36 assignments used, quality = 0.99: HG3 ARG 91 + HB3 ARG 91 OK 70 74 100 95 2.2-2.9 2.8=89, ~4016=16...(9) 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 12 + HD2 LYS 12 OK 59 60 100 99 2.4-3.0 3.0=78, 463/3.0=27...(62) HG2 LYS 20 + HD2 LYS 20 OK 50 51 100 98 2.2-2.9 2.8=89, 6309/5.9=8...(74) HG2 LYS 20 + HD3 LYS 20 OK 46 47 100 98 2.3-3.0 2.8=89, 6309/5.9=8...(70) HG3 ARG 91 - HD3 LYS 90 poor 7 86 25 33 2.1-10.3 4.8/7438=7, 1.8/4047=6...(8) HG2 LYS 12 - HG12 ILE 15 far 0 95 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 100 0 - 4.8-6.8 QB ALA 22 - HD3 LYS 20 far 0 67 0 - 6.0-8.8 HG2 LYS 13 - HD3 LYS 12 far 0 68 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 78 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 73 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 99 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 100 0 - 6.3-8.2 HG2 LYS 13 - HD2 LYS 12 far 0 68 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 64 0 - 6.8-11.5 HG13 ILE 52 - HD3 LYS 47 far 0 65 0 - 7.5-12.1 QB ALA 22 - HG12 ILE 15 far 0 100 0 - 8.8-10.3 HG2 LYS 12 - HD2 LYS 20 far 0 66 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 73 0 - 8.9-12.4 HG12 ILE 7 - HD3 LYS 90 far 0 100 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 74 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 69 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 46 0 - 9.1-14.0 HG LEU 29 - HD3 LYS 20 far 0 67 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 99 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 100 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 46 0 - 9.5-14.5 HB2 LEU 27 - HD3 LYS 90 far 0 78 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 61 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 79 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 67 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 100 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 89 0 - 9.9-11.4 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 5 assignments used, quality = 0.98: HA LYS 94 + QB ALA 25 OK 94 100 100 94 2.8-3.7 4349/10078=44, 4174=42...(11) HA ALA 22 + QB ALA 25 OK 68 71 100 96 2.4-3.1 1006=37, 6394/6408=36...(17) HA ARG 91 - QB ALA 25 far 0 81 0 - 7.0-8.2 HA2 GLY 100 - QB ALA 25 far 0 100 0 - 7.1-9.5 HA2 GLY 101 - QB ALA 25 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 10335 from cnoeabs.peaks (1.37, 0.83, 22.02 ppm; 3.91 A): 2 out of 8 assignments used, quality = 1.00: HG12 ILE 8 + QG2 VAL 32 OK 100 100 100 100 2.6-3.7 12204/2.1=71, ~12203=46...(21) HB3 ARG 30 + QG2 VAL 32 OK 64 100 85 75 4.1-5.2 8699/10154=25...(10) QB ALA 67 - QG2 VAL 32 far 4 73 5 - 4.6-5.9 HG3 LYS 40 - QG2 VAL 32 far 0 99 0 - 5.0-8.1 HB2 LEU 70 - QG2 VAL 32 far 0 100 0 - 6.9-8.3 HG2 LYS 39 - QG2 VAL 32 far 0 87 0 - 6.9-8.5 QB ALA 89 - QG2 VAL 32 far 0 77 0 - 8.5-9.8 HG3 LYS 68 - QG2 VAL 32 far 0 92 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 10336 from cnoeabs.peaks (1.34, 0.91, 23.40 ppm; 3.98 A): 1 out of 9 assignments used, quality = 0.89: HG12 ILE 8 + QG1 VAL 32 OK 89 90 100 100 2.1-3.3 12204/2.1=65, ~12203=48...(19) QB ALA 67 - QG1 VAL 32 poor 14 100 60 23 4.5-5.7 9526/1405=14...(4) HG3 LYS 40 - QG1 VAL 32 far 0 94 0 - 6.2-8.7 HB2 LEU 70 - QG1 VAL 32 far 0 81 0 - 6.4-8.2 HG2 LYS 39 - QG1 VAL 32 far 0 100 0 - 6.4-8.7 HB3 ARG 30 - QG1 VAL 32 far 0 77 0 - 6.5-7.7 HB3 LEU 42 - QG1 VAL 32 far 0 61 0 - 8.2-9.5 QB ALA 89 - QG1 VAL 32 far 0 100 0 - 9.2-10.6 HG3 LYS 68 - QG1 VAL 32 far 0 99 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10337 from cnoeabs.peaks (1.17, 0.83, 22.02 ppm; 3.45 A): 1 out of 6 assignments used, quality = 0.98: HB2 LEU 6 + QG2 VAL 32 OK 98 100 100 99 2.0-3.7 1.8/10160=60, 10229=52...(16) QG2 THR 31 - QG2 VAL 32 far 0 70 0 - 4.7-5.1 QG2 THR 34 - QG2 VAL 32 far 0 100 0 - 5.6-6.3 HG2 LYS 40 - QG2 VAL 32 far 0 95 0 - 6.4-7.7 HB2 LEU 57 - QG2 VAL 32 far 0 91 0 - 7.6-9.0 HB2 LEU 29 - QG2 VAL 32 far 0 96 0 - 8.4-9.0 Violated in 7 structures by 0.05 A. Peak 10338 from cnoeabs.peaks (1.36, 1.94, 34.49 ppm; 4.46 A): 1 out of 12 assignments used, quality = 1.00: HG12 ILE 8 + HB VAL 32 OK 100 100 100 100 1.9-2.1 12204=100, 2.1/12200=90...(20) QB ALA 67 - HB VAL 32 far 4 88 5 - 5.3-6.8 HG12 ILE 8 - HB2 LYS 33 far 0 70 0 - 6.2-8.6 HG12 ILE 8 - HB3 LYS 33 far 0 66 0 - 6.4-8.6 HB3 ARG 30 - HB VAL 32 far 0 99 0 - 6.7-8.1 HG3 LYS 40 - HB VAL 32 far 0 100 0 - 8.3-11.9 HB2 LEU 70 - HB VAL 32 far 0 99 0 - 8.7-11.0 QB ALA 89 - HB VAL 32 far 0 91 0 - 9.2-10.8 HG2 LYS 39 - HB VAL 32 far 0 96 0 - 9.5-12.0 QB ALA 67 - HB2 LYS 33 far 0 56 0 - 9.6-12.0 HG3 LYS 40 - HB3 LYS 33 far 0 66 0 - 9.7-14.3 QB ALA 67 - HB3 LYS 33 far 0 52 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10339 from cnoeabs.peaks (2.00, 1.30, 40.51 ppm; 4.45 A): 2 out of 8 assignments used, quality = 1.00: QE MET 74 + HB3 LEU 42 OK 100 100 100 100 1.9-2.4 10343/3.0=75...(32) HB3 MET 74 + HB3 LEU 42 OK 69 71 100 96 3.3-4.5 2.9/8919=32, ~9615=32...(20) HB3 ARG 46 - HB3 LEU 42 far 10 65 15 - 4.5-7.4 HB2 ARG 46 - HB3 LEU 42 far 9 91 10 - 4.9-7.4 HB2 LYS 73 - HB3 LEU 42 far 0 61 0 - 6.8-10.0 HB3 LYS 73 - HB3 LEU 42 far 0 59 0 - 6.8-10.1 HB2 GLU 44 - HB3 LEU 42 far 0 100 0 - 7.0-8.3 HB3 GLU 44 - HB3 LEU 42 far 0 100 0 - 8.4-8.9 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 3.8-4.2 9605/2.1=87...(27) HB2 GLU 44 - HG LEU 42 far 0 100 0 - 7.1-8.7 HB2 ARG 46 - HG LEU 42 far 0 77 0 - 7.4-10.0 HB2 GLU 37 - HG LEU 42 far 0 82 0 - 7.7-8.4 HB3 GLU 44 - HG LEU 42 far 0 100 0 - 8.7-9.3 HB2 GLU 35 - HG LEU 42 far 0 100 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 10341 from cnoeabs.peaks (1.98, 0.77, 21.93 ppm; 4.10 A): 2 out of 12 assignments used, quality = 0.98: QE MET 74 + QD2 LEU 42 OK 87 87 100 100 3.2-3.9 9605/2.1=66...(27) HB3 MET 74 + QD2 LEU 42 OK 83 96 90 96 2.6-5.2 ~9615=34, 10347/8924=31...(21) HB3 ARG 46 - QD2 LEU 42 far 0 94 0 - 5.3-7.9 HB2 LYS 73 - QD2 LEU 42 far 0 92 0 - 5.5-8.8 HB2 ARG 46 - QD2 LEU 42 far 0 100 0 - 5.7-7.5 HB3 LYS 73 - QD2 LEU 42 far 0 91 0 - 6.1-9.3 HB2 GLU 44 - QD2 LEU 42 far 0 88 0 - 6.6-8.0 HB VAL 32 - QD2 LEU 42 far 0 63 0 - 7.8-9.1 HB3 GLU 44 - QD2 LEU 42 far 0 88 0 - 8.0-8.4 HB2 GLU 37 - QD2 LEU 42 far 0 100 0 - 8.3-8.9 HB2 GLU 35 - QD2 LEU 42 far 0 77 0 - 8.7-10.7 QE MET 1 - QD2 LEU 42 far 0 100 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 10342 from cnoeabs.peaks (2.00, 0.69, 25.64 ppm; 3.99 A): 2 out of 9 assignments used, quality = 1.00: QE MET 74 + QD1 LEU 42 OK 100 100 100 100 1.9-2.7 9605=98, 10340/2.1=61...(35) HB3 MET 74 + QD1 LEU 42 OK 54 61 90 97 3.3-5.1 2.9/9615=51, 4.2/9605=47...(18) HB3 GLU 17 - QD1 LEU 14 poor 19 96 25 80 4.4-5.8 593/4.0=37, 10429/2.1=34...(8) HB2 GLU 35 - QD1 LEU 42 far 0 100 0 - 6.2-8.2 HB2 ARG 46 - QD1 LEU 42 far 0 84 0 - 6.6-8.6 HB2 GLU 37 - QD1 LEU 42 far 0 88 0 - 6.8-7.5 HB2 GLU 44 - QD1 LEU 42 far 0 100 0 - 7.4-8.7 HG12 ILE 93 - QD1 LEU 14 far 0 58 0 - 8.6-10.0 HB3 GLU 44 - QD1 LEU 42 far 0 100 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 10343 from cnoeabs.peaks (1.99, 3.70, 58.24 ppm; 3.73 A): 1 out of 9 assignments used, quality = 0.96: QE MET 74 + HA LEU 42 OK 96 96 100 99 3.8-4.2 12303/3.6=48...(18) HB3 MET 74 - HA LEU 42 far 0 87 0 - 5.2-6.8 HB2 GLU 44 - HA LEU 42 far 0 97 0 - 5.2-6.7 HB2 ARG 46 - HA LEU 42 far 0 98 0 - 5.2-7.7 HB3 ARG 46 - HA LEU 42 far 0 82 0 - 5.2-7.7 HB3 GLU 44 - HA LEU 42 far 0 97 0 - 6.8-7.2 HB2 LYS 73 - HA LEU 42 far 0 79 0 - 9.0-12.4 HB3 LYS 73 - HA LEU 42 far 0 77 0 - 9.3-12.7 HB2 GLU 37 - HA LEU 42 far 0 99 0 - 9.5-10.3 Violated in 20 structures by 0.27 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 far 0 71 0 - 6.0-7.9 Violated in 20 structures by 2.39 A. Peak 10347 from cnoeabs.peaks (1.97, 3.85, 55.14 ppm; 3.97 A): 2 out of 18 assignments used, quality = 0.97: HB3 MET 74 + HA ALA 71 OK 93 100 95 98 2.7-5.3 2.9/9551=49, 2.9/9552=43...(18) QE MET 74 + HA ALA 71 OK 50 70 75 97 3.1-5.5 3.4/9551=45, 3.4/9552=40...(21) HB2 LYS 73 - HA ALA 71 far 0 99 0 - 5.1-6.8 HB3 LYS 24 - HA ALA 22 far 0 60 0 - 5.3-7.3 HB2 LYS 24 - HA ALA 22 far 0 60 0 - 5.3-7.1 HB3 LYS 73 - HA ALA 71 far 0 99 0 - 6.4-7.6 QE MET 74 - HA ALA 67 far 0 48 0 - 6.8-8.0 HB VAL 32 - HA ALA 67 far 0 59 0 - 6.8-8.8 HB3 ARG 19 - HA ALA 22 far 0 30 0 - 7.3-8.5 HB3 ARG 46 - HA ALA 71 far 0 99 0 - 7.4-10.7 HB2 LYS 73 - HA ALA 67 far 0 77 0 - 7.4-9.3 HB3 LYS 20 - HA ALA 22 far 0 36 0 - 7.5-8.6 HB2 ARG 46 - HA ALA 71 far 0 100 0 - 7.7-11.1 HB2 GLU 37 - HA ALA 67 far 0 77 0 - 8.2-10.2 HB3 MET 74 - HA ALA 67 far 0 79 0 - 8.5-10.7 HB3 LYS 73 - HA ALA 67 far 0 76 0 - 8.9-10.7 HB2 GLU 17 - HA ALA 22 far 0 44 0 - 9.7-10.8 HB3 GLU 17 - HA ALA 22 far 0 29 0 - 10.0-11.5 Violated in 1 structures by 0.03 A. Peak 10348 from cnoeabs.peaks (1.89, 5.19, 58.80 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 54 + HA VAL 78 OK 100 100 100 100 2.6-3.7 11103=80, 6896/11101=52...(17) HG LEU 42 - HA VAL 78 far 0 100 0 - 7.3-8.5 HB3 LYS 68 - HA VAL 78 far 0 94 0 - 8.5-11.1 HB3 GLU 104 - HA VAL 78 far 0 93 0 - 9.8-18.6 HB VAL 5 - HA VAL 78 far 0 81 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10349 from cnoeabs.peaks (1.89, 1.78, 35.29 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.99: HB VAL 54 + HB VAL 78 OK 99 99 100 100 1.9-4.5 11104=96, 10348/3.0=70...(19) HG LEU 42 - HB VAL 78 far 0 100 0 - 5.5-7.2 HB3 LYS 68 - HB VAL 78 far 0 88 0 - 6.4-10.7 HB VAL 5 - HB VAL 78 far 0 71 0 - 9.3-12.0 Violated in 4 structures by 0.03 A. Peak 10350 from cnoeabs.peaks (1.88, 0.72, 21.10 ppm; 2.99 A): 3 out of 30 assignments used, quality = 0.98: HB VAL 54 + QG2 VAL 78 OK 86 99 95 92 2.1-4.5 12126=42, 11104/2.1=33...(15) 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 89 1.9-3.6 11104/2.1=33...(13) HG LEU 42 - QG1 VAL 78 far 3 56 5 - 3.7-5.2 HG LEU 42 - QG2 VAL 78 far 0 91 0 - 4.1-5.7 HB2 LYS 68 - QG2 VAL 78 far 0 63 0 - 4.4-8.1 HB3 LYS 68 - QG2 VAL 78 far 0 100 0 - 4.6-8.7 HB2 LYS 53 - QG1 VAL 78 far 0 40 0 - 5.1-6.6 HB2 LYS 53 - QG2 VAL 78 far 0 70 0 - 5.4-7.3 HB3 LYS 68 - QG1 VAL 78 far 0 67 0 - 5.8-7.9 HB2 LYS 68 - QG1 VAL 78 far 0 36 0 - 5.9-7.4 HB2 ARG 19 - QG1 VAL 5 far 0 67 0 - 6.1-8.1 HB VAL 54 - QG1 VAL 5 far 0 73 0 - 6.2-7.0 HB2 LYS 53 - QG1 VAL 5 far 0 45 0 - 7.3-8.6 HB VAL 5 - QG1 VAL 78 far 0 62 0 - 7.6-10.4 HB ILE 8 - QG1 VAL 5 far 0 64 0 - 7.6-8.6 HB VAL 5 - QG2 VAL 78 far 0 97 0 - 8.0-10.7 HG LEU 42 - QG1 VAL 5 far 0 63 0 - 8.2-10.0 HB3 LYS 39 - QG1 VAL 78 far 0 63 0 - 8.4-10.2 HB3 LYS 39 - QG2 VAL 78 far 0 98 0 - 8.6-10.7 HB ILE 8 - QG2 VAL 78 far 0 92 0 - 8.6-11.3 HB2 LYS 20 - QG1 VAL 5 far 0 70 0 - 8.6-10.5 HB3 LYS 66 - QG2 VAL 78 far 0 97 0 - 8.7-11.4 HB ILE 8 - QG1 VAL 78 far 0 57 0 - 8.7-11.7 HB2 GLU 43 - QG2 VAL 78 far 0 75 0 - 8.7-12.2 HB3 LEU 14 - QG1 VAL 5 far 0 56 0 - 8.8-9.9 HB2 GLU 43 - QG1 VAL 78 far 0 44 0 - 9.0-11.6 HB3 LYS 66 - QG1 VAL 78 far 0 62 0 - 9.2-10.5 HB3 GLU 104 - QG1 VAL 78 far 0 67 0 - 9.7-17.7 HB3 GLU 104 - QG2 VAL 78 far 0 100 0 - 9.7-17.8 Violated in 0 structures by 0.00 A. Peak 10351 from cnoeabs.peaks (1.88, 0.74, 21.24 ppm; 2.92 A): 3 out of 32 assignments used, quality = 0.99: HB VAL 54 + QG1 VAL 78 OK 91 99 100 92 1.9-3.6 2491=35, 11104/2.1=31...(17) 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 87 2.1-4.5 11104/2.1=31...(14) HG LEU 42 - QG1 VAL 78 far 5 91 5 - 3.7-5.2 HG LEU 42 - QG1 VAL 54 far 0 70 0 - 3.9-5.2 HG LEU 42 - QG2 VAL 78 far 0 56 0 - 4.1-5.7 HB2 LYS 68 - QG2 VAL 78 far 0 36 0 - 4.4-8.1 HB3 LYS 68 - QG2 VAL 78 far 0 67 0 - 4.6-8.7 HB VAL 5 - QG1 VAL 54 far 0 77 0 - 4.6-5.6 HB2 LYS 53 - QG1 VAL 78 far 0 70 0 - 5.1-6.6 HB2 LYS 53 - QG2 VAL 78 far 0 40 0 - 5.4-7.3 HB3 LYS 68 - QG1 VAL 78 far 0 100 0 - 5.8-7.9 HB2 LYS 53 - QG1 VAL 54 far 0 51 0 - 5.8-6.3 HB2 LYS 68 - QG1 VAL 78 far 0 63 0 - 5.9-7.4 HB VAL 5 - QG1 VAL 78 far 0 97 0 - 7.6-10.4 HB VAL 5 - QG2 VAL 78 far 0 62 0 - 8.0-10.7 HB3 LYS 39 - QG1 VAL 78 far 0 98 0 - 8.4-10.2 HB3 LYS 39 - QG2 VAL 78 far 0 63 0 - 8.6-10.7 HB ILE 8 - QG2 VAL 78 far 0 57 0 - 8.6-11.3 HB ILE 8 - QG1 VAL 54 far 0 71 0 - 8.6-9.7 HB3 LYS 66 - QG2 VAL 78 far 0 62 0 - 8.7-11.4 HB3 LYS 68 - QG1 VAL 54 far 0 83 0 - 8.7-10.9 HB ILE 8 - QG1 VAL 78 far 0 92 0 - 8.7-11.7 HB2 GLU 43 - QG2 VAL 78 far 0 44 0 - 8.7-12.2 HB2 GLU 43 - QG1 VAL 78 far 0 75 0 - 9.0-11.6 HB2 LYS 68 - QG1 VAL 54 far 0 46 0 - 9.0-10.8 HB3 LYS 39 - QG1 VAL 54 far 0 78 0 - 9.1-10.4 HB2 GLU 43 - QG1 VAL 54 far 0 56 0 - 9.2-10.7 HB3 LYS 66 - QG1 VAL 78 far 0 97 0 - 9.2-10.5 HB3 GLU 104 - QG1 VAL 78 far 0 100 0 - 9.7-17.7 HB3 GLU 104 - QG2 VAL 78 far 0 67 0 - 9.7-17.8 HB2 ARG 19 - QG1 VAL 54 far 0 75 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 10352 from cnoeabs.peaks (0.80, 1.97, 32.41 ppm; 4.38 A): 3 out of 21 assignments used, quality = 0.98: QD2 LEU 70 + HB2 LYS 73 OK 87 91 100 95 3.1-5.2 10395/2.9=55...(9) QD2 LEU 70 + HB3 LYS 73 OK 64 90 75 95 3.7-5.7 10395/2.9=55...(9) QD2 LEU 2 + HB2 MET 1 OK 50 53 95 98 4.5-5.5 8010/3.0=51, 8058/3.0=38...(15) QD1 LEU 70 - HB2 LYS 73 far 9 87 10 - 3.8-7.1 QD1 LEU 70 - HB3 LYS 73 far 9 86 10 - 4.3-7.9 QD2 LEU 42 - HB2 LYS 73 far 0 55 0 - 5.5-8.8 QD2 LEU 42 - HB3 LYS 73 far 0 54 0 - 6.1-9.3 QD1 ILE 76 - HB2 LYS 73 far 0 92 0 - 6.1-8.1 QD1 LEU 27 - HB3 LYS 24 far 0 41 0 - 6.2-8.4 QD1 LEU 27 - HB2 LYS 24 far 0 41 0 - 6.3-8.5 QD1 ILE 76 - HB3 LYS 73 far 0 91 0 - 6.6-8.2 QD1 LEU 27 - HB2 MET 1 far 0 31 0 - 6.6-9.8 QD1 ILE 93 - HB3 LYS 24 far 0 42 0 - 6.7-9.5 QG2 ILE 52 - HB2 LYS 47 far 0 87 0 - 7.1-8.2 QD1 ILE 93 - HB2 LYS 24 far 0 42 0 - 7.1-9.1 QD2 LEU 2 - HB2 LYS 47 far 0 100 0 - 7.2-9.1 QD1 ILE 76 - HB2 LYS 47 far 0 100 0 - 7.4-8.9 QD2 LEU 38 - HB2 LYS 73 far 0 80 0 - 7.5-11.3 QG2 ILE 52 - HB2 MET 1 far 0 41 0 - 8.2-9.6 QD2 LEU 38 - HB3 LYS 73 far 0 79 0 - 8.6-12.3 QD1 LEU 6 - HB2 LYS 73 far 0 62 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 10353 from cnoeabs.peaks (3.90, 2.42, 30.51 ppm; 6.14 A): 1 out of 4 assignments used, quality = 0.50: HA2 GLY 100 + HG3 MET 1 OK 50 70 80 90 4.4-8.5 10107/8021=77...(7) HA3 GLY 101 - HG3 MET 1 poor 20 100 20 - 4.8-11.3 HA2 GLY 101 - HG3 MET 1 far 10 70 15 - 5.4-10.5 HB2 SER 102 - HG3 MET 1 far 5 100 5 - 6.7-14.7 Violated in 13 structures by 0.49 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 4.1-5.6 8007=99, 8/4.0=93...(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 4.2-5.8 8007/1.8=94, 8/4.0=91...(15) 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 = 0.99: HA ILE 52 + HG LEU 2 OK 97 97 100 100 2.6-5.1 8049/2.1=85...(18) HA THR 80 + HG3 ARG 79 OK 49 70 70 99 4.9-7.1 ~7299=54, ~7300=46...(17) HA THR 80 + HG2 ARG 79 OK 32 72 45 99 3.7-6.9 ~7299=54, ~7300=46...(17) HA THR 80 - HG LEU 6 far 0 75 0 - 7.2-9.8 HA ILE 52 - HG2 ARG 79 far 0 78 0 - 8.6-12.5 HA ILE 52 - HG3 ARG 79 far 0 76 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 10358 from cnoeabs.peaks (6.45, 1.51, 26.80 ppm; 4.53 A): 3 out of 9 assignments used, quality = 1.00: QE TYR 4 + HG LEU 2 OK 100 100 100 100 2.0-3.0 8039/3.0=70, 8157/2.1=65...(22) QD TYR 4 + HG LEU 2 OK 98 99 100 100 3.5-5.2 ~8157=44, ~8039=43...(25) QD TYR 4 + HG3 ARG 30 OK 34 52 80 83 5.0-8.4 8702/1.8=46, 8708/3.0=30...(8) QD TYR 4 - HG LEU 6 far 0 83 0 - 5.4-6.3 QE TYR 4 - HG3 ARG 30 far 0 55 0 - 6.2-9.6 QE TYR 4 - HG LEU 6 far 0 87 0 - 7.4-8.2 QD TYR 4 - HG2 ARG 79 far 0 81 0 - 8.2-12.1 QD TYR 4 - HG3 ARG 79 far 0 79 0 - 9.1-12.1 QE TYR 4 - HG2 ARG 79 far 0 84 0 - 9.8-14.0 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 4 assignments used, quality = 1.00: HB3 LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.0-4.7 8114/2.1=99, 9188=77...(22) HB2 LEU 2 + QD1 LEU 3 OK 38 96 40 100 4.6-6.6 3.0/8050=67, 4.6/132=63...(13) HB3 ARG 79 - QD1 LEU 3 far 0 73 0 - 7.6-11.2 HB ILE 52 - QD1 LEU 3 far 0 96 0 - 7.6-9.0 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 3.2-5.4 8022/2.1=100...(23) HG3 GLU 99 - HG LEU 3 far 0 92 0 - 7.7-12.7 HG3 GLU 48 - HG LEU 3 far 0 99 0 - 8.2-11.3 HG2 GLN 50 - HG LEU 3 far 0 94 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 10365 from cnoeabs.peaks (8.48, 1.15, 44.04 ppm; 5.25 A): 2 out of 5 assignments used, quality = 0.99: H LYS 53 + HB3 LEU 3 OK 99 99 100 100 4.1-5.7 8064/3.0=86, 9182/3.1=84...(8) H VAL 54 + HB3 LEU 3 OK 22 98 25 92 5.6-8.2 11100/6035=61...(6) H LEU 2 - HB3 LEU 3 far 7 73 10 - 5.9-7.2 H LEU 29 - HB3 LEU 3 far 0 84 0 - 7.5-9.5 H ARG 79 - HB3 LEU 3 far 0 90 0 - 7.7-10.8 Violated in 5 structures by 0.05 A. Peak 10366 from cnoeabs.peaks (1.73, 5.14, 56.58 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.97: HB2 GLU 28 + HA TYR 4 OK 97 97 100 100 3.2-5.3 8656=95, 1.8/8657=91...(10) HB2 LEU 2 - HA TYR 4 far 4 82 5 - 5.8-8.4 Violated in 2 structures by 0.03 A. Peak 10367 from cnoeabs.peaks (4.67, 0.95, 22.19 ppm; 4.84 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 55 + QG2 VAL 5 OK 100 100 100 100 4.1-5.4 3.0/8198=76...(21) HA LEU 27 + QG2 VAL 5 OK 72 97 75 98 4.1-6.4 3.0/8633=75, 3.0/8634=73...(6) HA LYS 82 - QG2 VAL 5 far 0 68 0 - 9.5-11.7 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 5.4-6.4 8576/2.1=90, ~8578=87...(11) HA ARG 19 + HB VAL 5 OK 97 100 100 98 5.2-6.6 8512/8191=54...(8) HA ALA 18 + HB VAL 5 OK 29 59 75 66 6.7-7.8 2.1/8486=37...(4) HA SER 97 - HB VAL 5 far 0 100 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 10369 from cnoeabs.peaks (8.25, 0.73, 20.80 ppm; 5.48 A): 2 out of 8 assignments used, quality = 0.83: H ALA 71 + QG2 VAL 78 OK 75 75 100 100 3.9-5.2 ~10210=73, ~9685=69...(20) H LYS 94 + QG1 VAL 5 OK 31 99 40 78 6.1-7.2 11011/8195=55...(4) H PHE 45 - QG2 VAL 78 far 4 75 5 - 6.4-9.1 H SER 97 - QG1 VAL 5 far 0 61 0 - 6.4-7.9 H GLU 23 - QG1 VAL 5 far 0 90 0 - 6.8-8.1 H LEU 27 - QG1 VAL 5 far 0 98 0 - 6.8-8.6 H LEU 103 - QG2 VAL 78 far 0 47 0 - 9.0-14.8 H GLU 104 - QG2 VAL 78 far 0 40 0 - 9.2-16.6 Violated in 0 structures by 0.00 A. Peak 10370 from cnoeabs.peaks (8.25, 0.95, 22.19 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.84: H SER 97 + QG2 VAL 5 OK 53 61 100 86 5.2-6.1 4.5/8169=51, 4.2/8177=30...(6) H LEU 27 + QG2 VAL 5 OK 48 98 50 99 4.7-6.8 4.0/8633=70, 4.0/8634=68...(7) H LYS 94 + QG2 VAL 5 OK 33 99 35 96 5.8-6.7 4.3/10322=72...(8) H GLU 23 - QG2 VAL 5 far 4 90 5 - 6.1-7.6 Violated in 1 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 = 0.99: HB3 LEU 57 + HA LEU 6 OK 97 99 100 98 5.5-6.6 8269/6072=57...(12) HB VAL 5 + HA LEU 6 OK 81 81 100 100 4.4-5.0 2.1/8178=92, ~178=77...(20) HB2 LEU 42 - HA LEU 6 far 0 84 0 - 9.5-11.5 HB ILE 93 - HA LEU 6 far 0 77 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 10373 from cnoeabs.peaks (0.99, 0.62, 13.69 ppm; 4.29 A): 2 out of 5 assignments used, quality = 0.83: QG2 VAL 83 + QD1 ILE 7 OK 66 75 100 87 3.1-4.2 10403/10272=47...(12) QG1 VAL 83 + QD1 ILE 7 OK 50 96 70 74 4.3-5.5 9810/12172=27...(9) HG LEU 55 - QD1 ILE 7 far 0 77 0 - 5.8-7.4 HB3 LEU 55 - QD1 ILE 7 far 0 71 0 - 6.8-8.8 QG2 THR 80 - QD1 ILE 7 far 0 97 0 - 7.5-8.8 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 2 assignments used, quality = 1.00: HB3 SER 9 + HG12 ILE 7 OK 100 100 100 100 4.0-6.0 8328/1.8=97, 8331/2.1=96...(15) HA ALA 89 + HG12 ILE 7 OK 74 85 100 86 5.4-6.5 8259/2.1=42, ~12172=39...(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 4.4-5.8 8321=100, 8322/1.8=97...(15) HB3 ASP 11 - HG12 ILE 7 far 0 100 0 - 8.3-9.9 HE3 LYS 33 - HG12 ILE 7 far 0 84 0 - 9.4-14.0 HE2 LYS 33 - HG12 ILE 7 far 0 84 0 - 9.5-13.8 HE2 LYS 12 - HG12 ILE 7 far 0 98 0 - 9.9-14.0 Violated in 2 structures by 0.01 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 4.4-5.5 8246/2.1=83, 9332/4.2=76...(13) H ARG 19 + QD1 ILE 7 OK 95 96 100 99 4.0-5.2 6277/8261=66...(14) H VAL 5 - QD1 ILE 7 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 10378 from cnoeabs.peaks (8.65, 0.62, 13.69 ppm; 5.09 A): 2 out of 4 assignments used, quality = 1.00: H ALA 18 + QD1 ILE 7 OK 100 100 100 100 3.5-4.2 6263/8261=69...(20) H ASP 11 + QD1 ILE 7 OK 43 90 50 95 5.4-6.7 10388/8331=51...(10) H ASN 10 - QD1 ILE 7 far 10 99 10 - 5.9-7.5 H LEU 55 - QD1 ILE 7 far 0 96 0 - 8.1-9.4 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 3.4-4.5 3.0/8261=96, 5.0/8469=73...(17) H GLU 17 + QD1 ILE 7 OK 81 97 100 84 5.0-5.8 6259/10378=53...(6) H LYS 90 + QD1 ILE 7 OK 64 75 100 84 4.7-6.4 3.6/12172=41...(10) H LYS 13 - QD1 ILE 7 far 0 100 0 - 6.8-7.8 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 = 0.99: H ARG 30 + QD1 ILE 7 OK 94 99 100 95 6.2-7.2 8238/4.7=82...(3) H VAL 83 + QD1 ILE 7 OK 85 100 100 85 5.6-6.7 4.0/10373=52...(6) 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 = 1.00: QG2 ILE 56 + HB ILE 8 OK 100 100 100 100 3.4-4.6 10673=99, 8312/2.9=65...(17) QD1 ILE 7 - HB ILE 8 far 0 81 0 - 6.0-6.3 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 4.3-4.4 6102/2.9=78, ~6101=32...(13) HA ASP 77 + HA ILE 76 OK 78 78 100 100 4.3-4.4 3.0/7262=81...(15) HA ASP 11 - HA SER 9 far 0 99 0 - 6.6-7.1 HA THR 84 - HA SER 9 far 0 99 0 - 8.0-10.1 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): 4 out of 75 assignments used, quality = 0.94: 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 40 50 100 81 1.9-3.2 ~8469=16, ~10118=15...(20) QG2 ILE 15 + HG12 ILE 15 OK 35 36 100 98 2.1-2.2 3.2=72, 3.2/638=19...(27) QD1 ILE 15 - HD3 LYS 12 far 15 98 15 - 3.0-6.2 QD1 ILE 15 - HD2 LYS 12 far 10 98 10 - 2.8-6.2 QG2 ILE 15 - HD3 LYS 12 far 6 63 10 - 3.3-7.0 QD1 ILE 93 - HD3 LYS 90 far 3 67 5 - 3.7-6.7 QG2 ILE 15 - HD2 LYS 12 far 3 63 5 - 3.3-6.7 HG13 ILE 15 - HD3 LYS 12 far 0 94 0 - 5.3-9.0 HG13 ILE 15 - HD2 LYS 12 far 0 94 0 - 5.6-8.9 QG2 ILE 93 - HD3 LYS 90 far 0 54 0 - 5.6-8.2 QD2 LEU 2 - HD2 LYS 47 far 0 40 0 - 5.6-10.6 QG2 ILE 15 - HD3 LYS 20 far 0 34 0 - 5.8-9.0 HG13 ILE 93 - HD3 LYS 90 far 0 46 0 - 5.8-9.6 QG2 ILE 15 - HD2 LYS 20 far 0 39 0 - 5.8-8.4 QD1 ILE 15 - HD2 LYS 13 far 0 92 0 - 6.0-8.4 QD1 ILE 93 - HB3 ARG 91 far 0 76 0 - 6.1-7.2 QG2 ILE 8 - HG12 ILE 15 far 0 62 0 - 6.2-7.2 QD1 ILE 15 - HD3 LYS 13 far 0 92 0 - 6.2-8.5 QG2 ILE 7 - HD3 LYS 12 far 0 84 0 - 6.3-9.5 QD2 LEU 2 - HD3 LYS 47 far 0 41 0 - 6.4-11.4 QD1 ILE 93 - HD2 LYS 20 far 0 72 0 - 6.5-9.1 HG13 ILE 93 - HB3 ARG 91 far 0 53 0 - 6.5-9.7 QG2 ILE 7 - HD2 LYS 12 far 0 84 0 - 6.6-9.2 QD1 ILE 93 - HD3 LYS 20 far 0 65 0 - 6.8-9.7 QG2 ILE 15 - HD2 LYS 13 far 0 57 0 - 6.8-9.5 QG2 ILE 52 - HD2 LYS 47 far 0 71 0 - 6.8-9.6 QD1 ILE 76 - HD3 LYS 47 far 0 53 0 - 7.0-8.9 QG2 ILE 15 - HD3 LYS 13 far 0 57 0 - 7.1-9.3 QD1 ILE 93 - HG12 ILE 15 far 0 68 0 - 7.1-8.9 QD2 LEU 57 - HD3 LYS 90 far 0 53 0 - 7.1-10.2 QD2 LEU 57 - HG12 ILE 15 far 0 54 0 - 7.1-9.8 QG2 ILE 52 - HD3 LYS 47 far 0 73 0 - 7.3-9.7 QG2 ILE 93 - HD2 LYS 24 far 0 78 0 - 7.3-8.7 QD2 LEU 57 - HB3 ARG 91 far 0 61 0 - 7.3-9.1 QG2 ILE 93 - HD2 LYS 20 far 0 59 0 - 7.3-10.4 QD1 ILE 76 - HD2 LYS 47 far 0 51 0 - 7.4-9.6 QG2 ILE 93 - HD3 LYS 24 far 0 78 0 - 7.5-8.5 QG2 ILE 93 - HB3 ARG 91 far 0 63 0 - 7.7-8.2 QG2 ILE 15 - HD3 LYS 90 far 0 35 0 - 7.7-11.6 QG2 ILE 7 - HD3 LYS 90 far 0 49 0 - 7.7-11.5 QD1 ILE 93 - HD3 LYS 24 far 0 92 0 - 7.8-10.1 QG2 ILE 7 - HD2 LYS 20 far 0 54 0 - 8.0-10.9 HG13 ILE 15 - HD2 LYS 13 far 0 87 0 - 8.1-11.6 QD1 ILE 93 - HD2 LYS 24 far 0 92 0 - 8.1-10.5 QG2 ILE 93 - HD3 LYS 20 far 0 52 0 - 8.1-10.1 HG13 ILE 15 - HD3 LYS 13 far 0 87 0 - 8.3-11.6 QD1 LEU 27 - HD3 LYS 90 far 0 67 0 - 8.3-11.7 HG3 ARG 81 - HB3 ARG 91 far 0 47 0 - 8.3-11.1 QG2 ILE 8 - HD2 LYS 12 far 0 97 0 - 8.4-12.0 QD1 LEU 27 - HD2 LYS 24 far 0 91 0 - 8.4-10.0 QG2 ILE 7 - HD3 LYS 20 far 0 48 0 - 8.4-11.3 QD1 ILE 15 - HD2 LYS 20 far 0 68 0 - 8.5-10.9 QD1 LEU 27 - HD3 LYS 24 far 0 92 0 - 8.5-10.2 QD1 ILE 15 - HD3 LYS 20 far 0 60 0 - 8.6-11.3 QD1 LEU 6 - HG12 ILE 15 far 0 68 0 - 8.6-10.1 QD2 LEU 42 - HD3 LYS 47 far 0 73 0 - 8.9-11.3 HG13 ILE 93 - HD2 LYS 20 far 0 50 0 - 9.0-13.2 QD1 ILE 15 - HD3 LYS 90 far 0 62 0 - 9.0-12.9 HG13 ILE 15 - HD3 LYS 90 far 0 58 0 - 9.1-13.3 QG1 VAL 54 - HD2 LYS 47 far 0 69 0 - 9.1-12.9 QG2 ILE 7 - HD2 LYS 13 far 0 77 0 - 9.1-11.3 QD1 LEU 6 - HD3 LYS 47 far 0 74 0 - 9.2-13.4 QG1 VAL 54 - HD3 LYS 47 far 0 71 0 - 9.3-13.2 QG2 ILE 8 - HD3 LYS 12 far 0 97 0 - 9.3-12.3 HG13 ILE 15 - HD3 LYS 20 far 0 56 0 - 9.3-12.7 QD2 LEU 42 - HD2 LYS 47 far 0 71 0 - 9.3-11.1 QD1 LEU 6 - HD2 LYS 47 far 0 72 0 - 9.4-13.4 HG13 ILE 15 - HD2 LYS 20 far 0 63 0 - 9.4-12.3 QG2 ILE 7 - HD3 LYS 13 far 0 76 0 - 9.4-11.4 QD1 LEU 27 - HB3 ARG 91 far 0 76 0 - 9.5-10.8 QG2 ILE 93 - HG12 ILE 15 far 0 55 0 - 9.7-11.2 QD1 ILE 93 - HD2 LYS 13 far 0 96 0 - 9.9-13.5 HG13 ILE 93 - HG12 ILE 15 far 0 46 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10392 from cnoeabs.peaks (0.78, 3.01, 41.80 ppm; 5.07 A): 3 out of 17 assignments used, quality = 0.88: QD1 ILE 15 + HE2 LYS 12 OK 75 95 80 99 2.4-6.7 8468/463=67, 8446/460=59...(12) QG2 ILE 15 + HE2 LYS 12 OK 37 71 65 80 3.2-7.5 10394/463=39...(7) QD1 ILE 15 + HE3 LYS 33 OK 25 86 75 38 3.6-7.9 8467/8735=21...(3) QD1 ILE 15 - HE2 LYS 33 poor 19 86 80 28 3.6-8.4 8447/8729=17...(3) QG2 ILE 8 - HE2 LYS 33 poor 18 92 20 - 5.6-8.5 QG2 ILE 8 - HE3 LYS 33 far 14 92 15 - 5.4-8.4 QG2 ILE 7 - HE3 LYS 33 far 12 81 15 - 5.9-9.3 QG2 ILE 15 - HE3 LYS 33 far 6 63 10 - 4.9-9.7 HG13 ILE 15 - HE2 LYS 12 far 4 90 5 - 5.2-9.5 QG2 ILE 7 - HE2 LYS 12 far 4 90 5 - 5.6-9.8 QG2 ILE 7 - HE2 LYS 33 far 4 81 5 - 5.8-9.2 QG2 ILE 15 - HE2 LYS 33 far 3 63 5 - 5.7-9.8 HG13 ILE 15 - HE3 LYS 33 far 0 81 0 - 6.2-11.4 HG13 ILE 15 - HE2 LYS 33 far 0 81 0 - 6.4-11.8 QG2 ILE 8 - HE2 LYS 12 far 0 99 0 - 9.0-12.9 QD1 LEU 6 - HE3 LYS 33 far 0 94 0 - 9.4-12.0 QD1 LEU 6 - HE2 LYS 33 far 0 94 0 - 9.7-12.3 Violated in 1 structures by 0.02 A. Peak 10393 from cnoeabs.peaks (0.76, 2.96, 41.80 ppm; 4.79 A): 1 out of 42 assignments used, quality = 0.54: QD1 ILE 15 + HE3 LYS 12 OK 54 100 55 98 3.8-7.1 8468/4.0=62...(12) QD1 ILE 93 - HE3 LYS 90 far 6 59 10 - 4.2-8.3 QG2 ILE 52 - HE2 LYS 47 far 0 93 0 - 6.3-10.1 QG2 ILE 7 - HE3 LYS 12 far 0 68 0 - 6.3-10.1 QG2 ILE 7 - HE3 LYS 90 far 0 33 0 - 6.5-12.2 QD1 ILE 76 - HE3 LYS 47 far 0 60 0 - 6.5-10.6 HG13 ILE 15 - HE3 LYS 12 far 0 99 0 - 6.5-9.9 QD1 ILE 76 - HE3 LYS 73 far 0 47 0 - 6.6-11.0 QD1 ILE 76 - HE2 LYS 73 far 0 54 0 - 6.6-10.8 QG2 ILE 93 - HE3 LYS 90 far 0 56 0 - 6.9-9.5 HG13 ILE 93 - HE3 LYS 90 far 0 50 0 - 7.0-11.3 HG13 ILE 15 - HE3 LYS 90 far 0 58 0 - 7.0-13.7 QD1 ILE 76 - HE2 LYS 47 far 0 60 0 - 7.1-10.3 QG2 ILE 52 - HE3 LYS 47 far 0 93 0 - 7.1-10.2 QG2 ILE 93 - HE3 LYS 24 far 0 97 0 - 7.3-9.8 QD1 ILE 15 - HE3 LYS 13 far 0 99 0 - 7.4-9.4 QD1 ILE 15 - HE3 LYS 90 far 0 60 0 - 7.6-13.1 QD2 LEU 57 - HE3 LYS 90 far 0 37 0 - 7.6-11.4 QG2 ILE 93 - HE2 LYS 24 far 0 97 0 - 7.7-10.2 QD2 LEU 42 - HE2 LYS 73 far 0 93 0 - 7.7-11.6 QG1 VAL 5 - HE3 LYS 90 far 0 31 0 - 7.8-11.5 QD1 ILE 15 - HE2 LYS 13 far 0 99 0 - 7.9-9.8 QD1 LEU 27 - HE2 LYS 24 far 0 100 0 - 8.0-11.0 QD1 ILE 93 - HE3 LYS 24 far 0 100 0 - 8.1-11.4 QD2 LEU 42 - HE3 LYS 73 far 0 85 0 - 8.5-11.6 QD1 ILE 93 - HE2 LYS 24 far 0 100 0 - 8.7-11.6 QD2 LEU 42 - HE2 LYS 47 far 0 98 0 - 8.8-11.9 QG1 VAL 54 - HE2 LYS 47 far 0 98 0 - 8.8-13.4 QD2 LEU 27 - HE2 LYS 24 far 0 69 0 - 8.9-11.8 QD2 LEU 42 - HE3 LYS 47 far 0 98 0 - 9.0-12.6 QG1 VAL 78 - HE2 LYS 73 far 0 84 0 - 9.1-12.4 QG1 VAL 78 - HE3 LYS 73 far 0 75 0 - 9.3-12.6 QD1 LEU 27 - HE3 LYS 24 far 0 100 0 - 9.3-11.0 QD1 LEU 6 - HE2 LYS 47 far 0 97 0 - 9.4-13.2 QD2 LEU 27 - HE3 LYS 24 far 0 69 0 - 9.6-11.6 QG2 ILE 8 - HE3 LYS 12 far 0 88 0 - 9.6-12.6 HG13 ILE 93 - HE3 LYS 24 far 0 91 0 - 9.7-14.6 QD1 LEU 27 - HE3 LYS 90 far 0 59 0 - 9.9-12.5 QD1 LEU 6 - HE3 LYS 47 far 0 97 0 - 9.9-14.0 HG13 ILE 15 - HE2 LYS 13 far 0 98 0 - 9.9-13.4 HG13 ILE 15 - HE3 LYS 13 far 0 98 0 - 10.0-12.5 QG1 VAL 54 - HE3 LYS 47 far 0 98 0 - 10.0-14.4 Violated in 17 structures by 0.88 A. Peak 10394 from cnoeabs.peaks (0.80, 1.43, 25.00 ppm; 4.78 A): 1 out of 11 assignments used, quality = 0.85: QG2 ILE 15 + HG2 LYS 12 OK 85 91 95 98 4.2-5.7 3.0/8468=70...(11) QD1 ILE 93 - HG2 LYS 20 far 3 35 10 - 5.5-9.5 QG2 ILE 15 - HG2 LYS 20 far 0 62 0 - 5.8-8.2 QG2 ILE 7 - HG2 LYS 12 far 0 91 0 - 6.4-7.5 QG2 ILE 15 - HG2 LYS 13 far 0 100 0 - 7.8-9.0 QG2 ILE 7 - HG2 LYS 20 far 0 61 0 - 8.3-10.4 QD1 LEU 27 - HG2 LYS 20 far 0 34 0 - 9.0-11.5 QG2 ILE 8 - HG2 LYS 12 far 0 82 0 - 9.0-10.9 QG2 ILE 7 - HG2 LYS 13 far 0 100 0 - 9.4-10.6 QD2 LEU 57 - HG2 LYS 20 far 0 60 0 - 9.5-13.6 QD1 LEU 57 - HG2 LYS 20 far 0 49 0 - 9.9-14.2 Violated in 5 structures by 0.10 A. Peak 10395 from cnoeabs.peaks (0.80, 1.50, 25.00 ppm; 4.03 A): 1 out of 30 assignments used, quality = 0.94: QD2 LEU 70 + HG2 LYS 73 OK 94 99 100 95 3.3-4.7 3167/10813=46...(9) QG2 ILE 52 - HG3 LYS 53 poor 18 48 50 73 4.4-5.5 2355/1.8=33...(9) QG2 ILE 8 - HG3 LYS 33 far 13 89 15 - 4.7-6.2 QD2 LEU 2 - HG3 LYS 53 poor 8 58 50 26 4.2-6.6 6870/5.0=13, 8058/8016=6...(4) QD1 LEU 70 - HG2 LYS 73 far 5 95 5 - 4.4-7.3 QG2 VAL 32 - HG3 LYS 33 far 0 66 0 - 5.2-5.6 QD2 LEU 2 - HG2 LYS 47 far 0 98 0 - 5.5-10.0 QD1 ILE 76 - HG2 LYS 73 far 0 100 0 - 5.6-8.8 QD1 ILE 76 - HG2 LYS 47 far 0 99 0 - 5.6-8.6 QG2 ILE 7 - HG3 LYS 33 far 0 94 0 - 5.6-6.5 QG2 ILE 52 - HG2 LYS 47 far 0 88 0 - 5.9-8.6 QG2 ILE 15 - HG3 LYS 33 far 0 92 0 - 6.0-7.5 QD1 LEU 27 - HG3 LYS 53 far 0 37 0 - 6.5-9.1 QD2 LEU 42 - HG2 LYS 73 far 0 68 0 - 6.6-9.3 QD2 LEU 103 - HG3 LYS 53 far 0 44 0 - 6.9-11.4 QD1 ILE 93 - HG3 LYS 24 far 0 69 0 - 7.0-10.0 QD2 LEU 38 - HG3 LYS 33 far 0 80 0 - 7.0-8.2 QD1 LEU 27 - HG3 LYS 24 far 0 67 0 - 7.2-9.2 QG1 VAL 54 - HG3 LYS 53 far 0 29 0 - 7.2-7.9 QG2 ILE 15 - HG3 LYS 13 far 0 99 0 - 7.3-8.2 QD2 LEU 42 - HG3 LYS 53 far 0 35 0 - 8.1-10.1 QD1 LEU 6 - HG3 LYS 33 far 0 68 0 - 8.1-9.6 QD2 LEU 38 - HG2 LYS 73 far 0 88 0 - 8.1-11.4 QD2 LEU 42 - HG2 LYS 47 far 0 68 0 - 8.3-10.5 QD1 ILE 76 - HG3 LYS 53 far 0 60 0 - 8.9-11.1 QG2 ILE 7 - HG3 LYS 13 far 0 100 0 - 9.2-10.2 QG1 VAL 54 - HG2 LYS 47 far 0 58 0 - 9.4-12.2 QD1 LEU 70 - HG3 LYS 33 far 0 88 0 - 9.5-12.4 QD1 LEU 6 - HG3 LYS 53 far 0 39 0 - 9.6-11.1 QD1 LEU 6 - HG2 LYS 47 far 0 75 0 - 9.8-12.4 Violated in 15 structures by 0.21 A. Peak 10396 from cnoeabs.peaks (0.76, 1.70, 28.93 ppm; 3.68 A): 2 out of 62 assignments used, quality = 0.57: QD1 ILE 15 + HD3 LYS 12 OK 41 96 45 94 3.0-6.2 8468/3.0=46...(11) QD1 ILE 15 + HD2 LYS 12 OK 27 96 30 94 2.8-6.2 8468/3.0=46...(11) HG13 ILE 15 - HD3 LYS 12 far 0 94 0 - 5.3-9.0 HG13 ILE 15 - HD2 LYS 12 far 0 94 0 - 5.6-8.9 QD1 ILE 15 - HD2 LYS 33 far 0 49 0 - 5.6-8.3 QD1 ILE 15 - HD3 LYS 33 far 0 49 0 - 5.7-7.8 QG2 ILE 8 - HD2 LYS 33 far 0 39 0 - 5.7-8.5 QD1 ILE 15 - HD2 LYS 13 far 0 100 0 - 6.0-8.4 QD1 ILE 93 - HB3 ARG 91 far 0 53 0 - 6.1-7.2 QD1 ILE 15 - HD3 LYS 13 far 0 100 0 - 6.2-8.5 QG2 ILE 7 - HD3 LYS 12 far 0 61 0 - 6.3-9.5 QG2 ILE 8 - HD3 LYS 33 far 0 39 0 - 6.3-8.0 QD1 ILE 93 - HD2 LYS 20 far 0 56 0 - 6.5-9.1 HG13 ILE 93 - HB3 ARG 91 far 0 45 0 - 6.5-9.7 QG2 ILE 7 - HD2 LYS 12 far 0 61 0 - 6.6-9.2 QD1 ILE 93 - HD3 LYS 20 far 0 50 0 - 6.8-9.7 QG2 ILE 52 - HD2 LYS 47 far 0 45 0 - 6.8-9.6 QD1 ILE 76 - HD3 LYS 47 far 0 26 0 - 7.0-8.9 QG2 ILE 7 - HD2 LYS 33 far 0 27 0 - 7.1-8.6 QG2 ILE 7 - HD3 LYS 33 far 0 27 0 - 7.3-8.8 QG2 ILE 52 - HD3 LYS 47 far 0 47 0 - 7.3-9.7 QG2 ILE 93 - HD2 LYS 24 far 0 96 0 - 7.3-8.7 QD2 LEU 57 - HB3 ARG 91 far 0 33 0 - 7.3-9.1 QG2 ILE 93 - HD2 LYS 20 far 0 53 0 - 7.3-10.4 QD1 ILE 76 - HD2 LYS 47 far 0 25 0 - 7.4-9.6 QG2 ILE 93 - HD3 LYS 24 far 0 97 0 - 7.5-8.5 QG2 ILE 93 - HB3 ARG 91 far 0 50 0 - 7.7-8.2 QD1 ILE 93 - HD3 LYS 24 far 0 99 0 - 7.8-10.1 QG2 ILE 7 - HD2 LYS 20 far 0 32 0 - 8.0-10.9 HG13 ILE 15 - HD2 LYS 13 far 0 99 0 - 8.1-11.6 QD1 ILE 93 - HD2 LYS 24 far 0 99 0 - 8.1-10.5 QG2 ILE 93 - HD3 LYS 20 far 0 47 0 - 8.1-10.1 HG13 ILE 15 - HD3 LYS 13 far 0 99 0 - 8.3-11.6 HG3 ARG 81 - HB3 ARG 91 far 0 41 0 - 8.3-11.1 QG2 ILE 8 - HD2 LYS 12 far 0 81 0 - 8.4-12.0 QD1 LEU 27 - HD2 LYS 24 far 0 99 0 - 8.4-10.0 QG2 ILE 7 - HD3 LYS 20 far 0 28 0 - 8.4-11.3 QD1 ILE 15 - HD2 LYS 20 far 0 57 0 - 8.5-10.9 QD1 LEU 27 - HD3 LYS 24 far 0 99 0 - 8.5-10.2 QD1 ILE 15 - HD3 LYS 20 far 0 50 0 - 8.6-11.3 HG13 ILE 15 - HD2 LYS 33 far 0 48 0 - 8.7-11.1 QG1 VAL 5 - HB3 ARG 91 far 0 28 0 - 8.7-10.4 QG1 VAL 5 - HD2 LYS 20 far 0 29 0 - 8.9-11.6 HG13 ILE 15 - HD3 LYS 33 far 0 48 0 - 8.9-11.3 QD2 LEU 42 - HD3 LYS 47 far 0 52 0 - 8.9-11.3 QD2 LEU 27 - HD2 LYS 24 far 0 68 0 - 8.9-10.8 HG13 ILE 93 - HD2 LYS 20 far 0 47 0 - 9.0-13.2 QG1 VAL 54 - HD2 LYS 47 far 0 50 0 - 9.1-12.9 QG2 ILE 7 - HD2 LYS 13 far 0 68 0 - 9.1-11.3 QD1 LEU 6 - HD3 LYS 47 far 0 51 0 - 9.2-13.4 QD2 LEU 27 - HD3 LYS 24 far 0 68 0 - 9.3-10.7 QG1 VAL 54 - HD3 LYS 47 far 0 52 0 - 9.3-13.2 QG2 ILE 8 - HD3 LYS 12 far 0 81 0 - 9.3-12.3 HG13 ILE 15 - HD3 LYS 20 far 0 49 0 - 9.3-12.7 QD2 LEU 42 - HD2 LYS 47 far 0 50 0 - 9.3-11.1 QD1 LEU 6 - HD2 LYS 47 far 0 49 0 - 9.4-13.4 HG13 ILE 15 - HD2 LYS 20 far 0 55 0 - 9.4-12.3 QG2 ILE 7 - HD3 LYS 13 far 0 67 0 - 9.4-11.4 QD1 LEU 27 - HB3 ARG 91 far 0 53 0 - 9.5-10.8 QG1 VAL 5 - HD3 LYS 20 far 0 26 0 - 9.5-11.8 QD1 LEU 6 - HD2 LYS 33 far 0 49 0 - 9.8-11.3 QD1 ILE 93 - HD2 LYS 13 far 0 100 0 - 9.9-13.5 Violated in 15 structures by 0.53 A. Peak 10398 from cnoeabs.peaks (0.80, 1.35, 28.11 ppm; 4.89 A): 1 out of 6 assignments used, quality = 0.50: QG2 ILE 7 + HG LEU 14 OK 50 100 50 99 5.0-6.7 3.0/11079=69, ~10273=53...(13) QD1 LEU 57 - HG LEU 14 poor 16 82 25 76 5.6-7.8 9926/8404=39, ~219=15...(8) QG2 ILE 15 - HG LEU 14 far 10 99 10 - 5.6-7.1 QD1 ILE 93 - HG LEU 14 far 4 75 5 - 5.6-7.0 QD2 LEU 57 - HG LEU 14 far 0 100 0 - 6.4-8.3 QG2 ILE 8 - HG LEU 14 far 0 97 0 - 8.6-9.8 Violated in 20 structures by 0.94 A. Peak 10399 from cnoeabs.peaks (0.98, 1.35, 28.11 ppm; 5.34 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 83 + HG LEU 14 OK 96 96 100 100 3.5-4.5 10403/2.1=100...(14) QG1 VAL 83 + HG LEU 14 OK 64 75 85 100 5.6-6.4 ~10402=86, ~10403=84...(13) QG2 VAL 5 - HG LEU 14 far 0 71 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 10400 from cnoeabs.peaks (2.10, 1.35, 28.11 ppm; 4.76 A): 2 out of 7 assignments used, quality = 1.00: HB3 PRO 86 + HG LEU 14 OK 100 100 100 100 3.3-5.0 2.3/8407=90, ~8411=65...(36) HB2 PRO 86 + HG LEU 14 OK 97 97 100 100 2.4-5.0 2.3/8407=90, ~8411=65...(38) HB VAL 83 - HG LEU 14 far 0 100 0 - 5.8-6.6 HB3 GLU 88 - HG LEU 14 far 0 81 0 - 7.3-8.5 HB2 GLU 16 - HG LEU 14 far 0 77 0 - 7.8-9.2 HG2 GLU 88 - HG LEU 14 far 0 65 0 - 8.0-9.4 QE MET 21 - HG LEU 14 far 0 100 0 - 9.7-10.8 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 20 assignments used, quality = 0.97: QG2 ILE 7 + HB ILE 7 OK 91 91 100 100 2.1-2.1 2.1=100 QD2 LEU 57 + HB ILE 7 OK 53 91 60 97 2.9-5.3 3.1/8277=25, 236/3.0=22...(30) QG2 ILE 15 + HB ILE 7 OK 28 85 35 95 3.9-5.2 10123/8732=45...(26) QD1 ILE 15 - HB2 LEU 14 poor 13 65 20 - 3.8-5.4 QD1 ILE 93 - HB ILE 7 far 0 71 0 - 4.2-5.3 QG2 ILE 7 - HB2 LEU 14 far 0 100 0 - 4.8-6.9 QD1 ILE 15 - HB ILE 7 far 0 54 0 - 4.9-6.0 QD1 LEU 57 - HB ILE 7 far 0 61 0 - 5.2-6.1 QG2 ILE 15 - HB2 LEU 14 far 0 97 0 - 5.4-6.8 QG2 VAL 32 - HB ILE 7 far 0 54 0 - 5.6-6.6 QD2 LEU 38 - HB ILE 7 far 0 69 0 - 6.6-9.8 QD1 LEU 6 - HB ILE 7 far 0 72 0 - 6.6-7.3 QD1 LEU 57 - HB2 LEU 14 far 0 73 0 - 6.9-9.8 QG2 ILE 8 - HB ILE 7 far 0 89 0 - 6.9-7.0 QG1 VAL 54 - HB ILE 7 far 0 58 0 - 7.0-7.8 QG2 ILE 8 - HB2 LEU 14 far 0 99 0 - 7.5-9.5 QD1 ILE 93 - HB2 LEU 14 far 0 84 0 - 7.8-9.1 QD2 LEU 57 - HB2 LEU 14 far 0 100 0 - 8.6-10.0 QD1 LEU 27 - HB ILE 7 far 0 69 0 - 8.9-9.9 QD2 LEU 42 - HB ILE 7 far 0 66 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 10402 from cnoeabs.peaks (0.98, 0.68, 25.64 ppm; 3.07 A): 1 out of 8 assignments used, quality = 0.96: QG2 VAL 83 + QD1 LEU 14 OK 96 98 100 98 1.9-3.0 10403/2.1=60...(20) QG1 VAL 83 - QD1 LEU 14 far 0 68 0 - 4.2-5.3 QG2 THR 80 - QD1 LEU 42 far 0 96 0 - 5.7-6.7 QG2 VAL 5 - QD1 LEU 42 far 0 72 0 - 8.6-10.1 QG2 THR 80 - QD1 LEU 14 far 0 100 0 - 8.8-10.4 HG LEU 55 - QD1 LEU 14 far 0 99 0 - 9.0-10.3 QG2 VAL 5 - QD1 LEU 14 far 0 79 0 - 9.2-10.3 HG LEU 55 - QD1 LEU 42 far 0 94 0 - 9.2-11.1 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 = 0.93: QG2 VAL 83 + QD2 LEU 14 OK 93 96 100 97 2.5-3.2 10402/2.1=66, 9806=49...(22) QG1 VAL 83 - QD2 LEU 14 far 0 75 0 - 4.5-5.2 QG2 VAL 5 - QD2 LEU 6 far 0 44 0 - 4.7-6.4 QG2 THR 80 - QD2 LEU 6 far 0 72 0 - 6.7-8.1 HG LEU 55 - QD2 LEU 6 far 0 66 0 - 6.9-8.5 HG LEU 55 - QD2 LEU 14 far 0 96 0 - 7.7-9.0 QG2 THR 80 - QD2 LEU 14 far 0 100 0 - 7.8-9.1 QG2 VAL 5 - QD2 LEU 14 far 0 71 0 - 7.8-8.7 QG2 VAL 83 - QD2 LEU 6 far 0 65 0 - 9.0-9.9 QG1 VAL 83 - QD2 LEU 6 far 0 47 0 - 9.4-10.4 Violated in 3 structures by 0.01 A. Peak 10404 from cnoeabs.peaks (1.71, 0.68, 25.64 ppm; 3.51 A): 2 out of 20 assignments used, quality = 0.98: HB3 LEU 70 + QD1 LEU 42 OK 94 95 100 98 2.0-3.8 9544=85, 1.8/9543=57...(10) HG2 PRO 86 + QD1 LEU 14 OK 67 96 70 99 3.1-5.1 3.8/8411=43, 1.8/9889=31...(28) HG LEU 70 - QD1 LEU 42 far 9 95 10 - 4.2-5.6 HD2 LYS 90 - QD1 LEU 14 far 0 73 0 - 5.4-9.5 HD3 LYS 90 - QD1 LEU 14 far 0 99 0 - 5.5-8.9 HD2 LYS 13 - QD1 LEU 14 far 0 100 0 - 6.0-8.5 HG12 ILE 15 - QD1 LEU 14 far 0 97 0 - 6.4-7.4 HB ILE 15 - QD1 LEU 14 far 0 90 0 - 6.5-6.9 HB3 LYS 40 - QD1 LEU 42 far 0 80 0 - 6.5-7.4 HD3 LYS 13 - QD1 LEU 14 far 0 100 0 - 7.2-8.9 HB3 ARG 91 - QD1 LEU 14 far 0 85 0 - 7.9-10.7 HD3 LYS 66 - QD1 LEU 42 far 0 96 0 - 7.9-10.4 HD2 LYS 12 - QD1 LEU 14 far 0 100 0 - 8.2-11.1 HD3 LYS 20 - QD1 LEU 14 far 0 71 0 - 8.5-12.9 HD3 LYS 12 - QD1 LEU 14 far 0 100 0 - 8.7-11.0 HD2 LYS 20 - QD1 LEU 14 far 0 77 0 - 9.0-11.9 HD2 ARG 81 - QD1 LEU 14 far 0 94 0 - 9.1-13.0 HB ILE 52 - QD1 LEU 42 far 0 58 0 - 9.5-11.5 HG3 LYS 20 - QD1 LEU 14 far 0 71 0 - 9.6-12.6 HD3 LYS 47 - QD1 LEU 42 far 0 77 0 - 10.0-12.3 Violated in 2 structures by 0.01 A. Peak 10405 from cnoeabs.peaks (2.12, 0.68, 25.64 ppm; 3.56 A): 3 out of 14 assignments used, quality = 1.00: HB2 PRO 86 + QD1 LEU 14 OK 100 100 100 100 2.1-4.2 2.3/8411=66, ~8407=34...(43) HB VAL 83 + QD1 LEU 14 OK 90 100 90 100 3.8-4.6 2.1/10402=78, 9805=72...(15) HB3 PRO 86 + QD1 LEU 14 OK 74 99 75 100 2.5-5.1 2.3/8411=66, ~8407=34...(41) HB3 GLU 88 - QD1 LEU 14 far 0 61 0 - 5.5-6.9 HB3 GLU 35 - QD1 LEU 42 far 0 61 0 - 5.9-7.8 HG2 GLU 88 - QD1 LEU 14 far 0 84 0 - 5.9-7.7 HB2 GLU 69 - QD1 LEU 42 far 0 94 0 - 6.3-7.5 HB3 GLU 69 - QD1 LEU 42 far 0 94 0 - 6.8-8.1 HG2 GLU 44 - QD1 LEU 42 far 0 87 0 - 7.0-8.9 HB3 GLU 37 - QD1 LEU 42 far 0 94 0 - 7.2-7.9 HG2 GLU 69 - QD1 LEU 42 far 0 94 0 - 7.8-9.0 HG3 GLU 37 - QD1 LEU 42 far 0 96 0 - 8.2-8.9 HB2 GLU 75 - QD1 LEU 42 far 0 86 0 - 8.3-9.9 QE MET 21 - QD1 LEU 14 far 0 95 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (1.68, 0.71, 24.35 ppm; 3.85 A): 2 out of 25 assignments used, quality = 0.82: HG12 ILE 15 + QD2 LEU 14 OK 70 99 75 94 3.8-5.4 4.1/12020=49...(16) HB3 LEU 6 + QD2 LEU 6 OK 40 40 100 100 2.2-3.2 3.1=100 HD3 LYS 90 - QD2 LEU 14 far 0 98 0 - 5.6-9.5 HG2 PRO 86 - QD2 LEU 14 far 0 99 0 - 5.6-7.1 HB2 LYS 40 - QD2 LEU 6 far 0 37 0 - 5.9-7.8 HB3 LYS 40 - QD2 LEU 6 far 0 72 0 - 6.2-8.3 HG12 ILE 15 - QD2 LEU 6 far 0 70 0 - 6.7-8.6 HD2 LYS 12 - QD2 LEU 14 far 0 96 0 - 6.9-10.4 HD2 LYS 13 - QD2 LEU 14 far 0 96 0 - 7.0-9.1 HD3 LYS 12 - QD2 LEU 14 far 0 96 0 - 7.7-10.1 HD3 LYS 13 - QD2 LEU 14 far 0 94 0 - 7.7-9.3 HD3 LYS 20 - QD2 LEU 14 far 0 99 0 - 8.0-11.6 HB3 LYS 53 - QD2 LEU 6 far 0 72 0 - 8.2-11.4 HB3 LEU 6 - QD2 LEU 14 far 0 65 0 - 8.2-9.4 HB3 LEU 70 - QD2 LEU 6 far 0 47 0 - 8.3-10.0 HD2 LYS 20 - QD2 LEU 14 far 0 100 0 - 8.3-10.8 HB3 ARG 91 - QD2 LEU 14 far 0 100 0 - 8.6-10.1 HG LEU 70 - QD2 LEU 6 far 0 67 0 - 8.7-11.7 HG3 LYS 20 - QD2 LEU 14 far 0 99 0 - 8.9-11.5 HB3 ARG 79 - QD2 LEU 6 far 0 49 0 - 9.2-12.0 HB2 LEU 2 - QD2 LEU 6 far 0 64 0 - 9.3-13.1 HD2 LYS 39 - QD2 LEU 6 far 0 49 0 - 9.6-11.4 HD3 LYS 47 - QD2 LEU 6 far 0 72 0 - 9.7-14.3 HD2 LYS 47 - QD2 LEU 6 far 0 72 0 - 9.8-14.4 HB ILE 52 - QD2 LEU 6 far 0 67 0 - 9.9-11.8 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 16 assignments used, quality = 0.95: HB2 PRO 86 + QD2 LEU 14 OK 79 88 90 100 3.8-6.2 2.3/8412=68...(42) HB VAL 83 + QD2 LEU 14 OK 57 96 60 100 4.6-5.7 2.1/10403=93...(13) HB3 PRO 86 + QD2 LEU 14 OK 45 99 45 100 4.6-6.1 2.3/8412=68...(40) HB3 GLU 37 - QD2 LEU 6 poor 16 50 70 47 4.1-6.6 8904/8911=15...(6) HB3 LEU 38 - QD2 LEU 6 poor 11 56 20 - 4.1-7.6 HG3 GLU 28 - QD2 LEU 6 far 2 44 5 - 4.8-9.5 HG2 GLU 28 - QD2 LEU 6 far 2 44 5 - 4.9-9.1 HG2 GLU 44 - QD2 LEU 6 far 0 37 0 - 5.9-7.6 HB3 GLU 88 - QD2 LEU 14 far 0 93 0 - 6.4-7.8 HG3 GLU 37 - QD2 LEU 6 far 0 67 0 - 6.4-8.7 HB2 GLU 16 - QD2 LEU 14 far 0 91 0 - 6.8-8.3 HB3 GLU 43 - QD2 LEU 6 far 0 46 0 - 8.2-9.0 QE MET 21 - QD2 LEU 14 far 0 100 0 - 8.4-10.3 HB3 GLU 35 - QD2 LEU 6 far 0 65 0 - 8.9-11.2 HB2 LEU 64 - QD2 LEU 14 far 0 96 0 - 9.6-10.7 HB2 MET 74 - QD2 LEU 6 far 0 43 0 - 10.0-11.3 Violated in 6 structures by 0.05 A. Peak 10408 from cnoeabs.peaks (3.91, 0.71, 24.35 ppm; 3.83 A): 2 out of 13 assignments used, quality = 0.97: HB3 SER 9 + QD2 LEU 14 OK 96 96 100 100 2.2-3.7 8330=53, 1.8/8324=51...(25) HA ALA 89 + QD2 LEU 14 OK 34 99 35 97 4.4-5.7 9825/10403=43, 9930=38...(17) HA LEU 38 - QD2 LEU 6 poor 18 39 85 53 2.9-5.2 14610/8911=12...(9) HA TYR 41 - QD2 LEU 6 far 10 65 15 - 4.3-5.3 HB2 SER 85 - QD2 LEU 14 far 0 99 0 - 6.4-7.4 HA GLU 35 - QD2 LEU 6 far 0 56 0 - 7.2-9.3 HA GLU 44 - QD2 LEU 6 far 0 54 0 - 8.3-9.8 HA GLU 43 - QD2 LEU 6 far 0 51 0 - 8.8-9.9 HB3 SER 9 - QD2 LEU 6 far 0 66 0 - 8.9-10.3 HA ARG 91 - QD2 LEU 14 far 0 88 0 - 9.2-11.1 HA GLU 63 - QD2 LEU 6 far 0 72 0 - 9.3-11.7 HA GLU 63 - QD2 LEU 14 far 0 100 0 - 9.5-11.0 HA ALA 89 - QD2 LEU 6 far 0 69 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (3.92, 0.68, 25.64 ppm; 4.09 A): 2 out of 8 assignments used, quality = 1.00: HB3 SER 9 + QD1 LEU 14 OK 99 100 100 99 3.2-4.8 2.8/8403=51...(17) HB2 SER 85 + QD1 LEU 14 OK 53 90 60 98 4.5-5.4 3.0/8424=57, 1.8/9876=47...(15) HA ALA 89 - QD1 LEU 14 poor 17 87 20 - 4.7-6.6 HA GLU 35 - QD1 LEU 42 far 0 56 0 - 5.6-6.5 HA TYR 41 - QD1 LEU 42 far 0 96 0 - 6.2-6.6 HA GLU 63 - QD1 LEU 42 far 0 94 0 - 8.6-9.7 HA GLU 44 - QD1 LEU 42 far 0 93 0 - 8.6-8.7 HA ARG 91 - QD1 LEU 14 far 0 63 0 - 9.2-11.4 Violated in 5 structures by 0.01 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 4.3-5.8 8395/611=78...(14) H ASP 11 + HG LEU 14 OK 70 94 75 100 6.3-7.0 8369/2.1=91, 8371/3.0=80...(11) H ASN 10 - HG LEU 14 far 0 97 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 10412 from cnoeabs.peaks (7.80, 0.71, 24.35 ppm; 4.89 A): 3 out of 6 assignments used, quality = 1.00: H SER 9 + QD2 LEU 14 OK 98 98 100 100 4.5-5.7 6107=97, 2.9/8317=59...(15) HE ARG 30 + QD2 LEU 6 OK 65 70 95 97 3.8-6.0 2.9/8722=67, 5.0/8717=49...(10) H TYR 41 + QD2 LEU 6 OK 55 55 100 99 4.1-5.3 8869/2.1=58, 3.0/8872=54...(13) H GLU 28 - QD2 LEU 6 far 0 72 0 - 6.4-9.0 H SER 9 - QD2 LEU 6 far 0 67 0 - 7.3-8.9 H LYS 20 - QD2 LEU 14 far 0 100 0 - 7.9-9.1 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 5 assignments used, quality = 0.99: H SER 85 + QD1 LEU 14 OK 99 99 100 100 3.2-4.4 3.0/8424=61...(18) H ASN 60 - QD1 LEU 14 far 0 71 0 - 6.9-8.1 H MET 21 - QD1 LEU 14 far 0 98 0 - 8.8-10.6 H LEU 64 - QD1 LEU 42 far 0 86 0 - 9.7-10.9 H LEU 64 - QD1 LEU 14 far 0 92 0 - 9.9-11.0 Violated in 2 structures by 0.01 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 2.6-3.8 7159/9543=76...(23) H PHE 45 - QD1 LEU 42 far 0 100 0 - 6.3-6.7 H LYS 94 - QD1 LEU 14 far 0 96 0 - 9.9-11.6 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 = 1.00: H ARG 19 + QG2 ILE 15 OK 100 100 100 100 3.5-4.2 6277/3.2=60, 8504=57...(15) H LEU 57 - QG2 ILE 8 far 0 42 0 - 6.0-6.5 H LEU 57 - QG2 ILE 15 far 0 70 0 - 7.6-8.9 H VAL 5 - QG2 ILE 15 far 0 88 0 - 8.4-9.7 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 4 assignments used, quality = 0.98: HB3 SER 9 + QD1 ILE 15 OK 98 98 100 100 2.7-4.3 4.0/8436=61, 2.8/8442=56...(19) HD3 PRO 86 - QD1 ILE 15 far 0 59 0 - 7.3-9.4 HA ALA 89 - QD1 ILE 15 far 0 63 0 - 8.0-9.9 HB2 SER 85 - QD1 ILE 15 far 0 68 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 10419 from cnoeabs.peaks (1.42, 3.26, 65.94 ppm; 5.56 A): 2 out of 6 assignments used, quality = 1.00: HG12 ILE 7 + HA ILE 15 OK 100 100 100 100 4.5-5.3 2.1/8261=99...(13) HG LEU 29 + HA ILE 15 OK 23 96 25 95 6.0-7.1 2.1/8689=74, ~10501=34...(8) HG2 LYS 12 - HA ILE 15 far 0 85 0 - 6.8-7.9 HG2 LYS 20 - HA ILE 15 far 0 63 0 - 7.4-10.3 QB ALA 22 - HA ILE 15 far 0 96 0 - 7.5-8.1 HG2 LYS 13 - HA ILE 15 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 10420 from cnoeabs.peaks (0.81, 2.08, 29.20 ppm; 3.95 A): 4 out of 15 assignments used, quality = 0.99: QD1 LEU 70 + HB3 GLU 35 OK 88 92 100 95 1.9-4.5 9549/1.8=32, 1653=24...(20) QD2 LEU 70 + HB3 GLU 35 OK 75 93 85 95 2.4-6.1 10278=31, 9541/3.0=25...(23) QG2 ILE 15 + HB2 GLU 16 OK 38 100 40 94 4.0-5.4 660/6237=58, 8530/3.0=56...(9) QD2 LEU 38 + HB3 GLU 35 OK 28 89 35 91 2.8-6.3 3.1/10462=23, ~10168=20...(24) QD1 ILE 76 - HB3 GLU 43 far 5 94 5 - 4.8-5.9 QG2 ILE 8 - HB3 GLU 35 far 0 76 0 - 5.4-7.7 QG2 ILE 7 - HB2 GLU 16 far 0 98 0 - 6.9-8.2 QG2 VAL 32 - HB3 GLU 35 far 0 80 0 - 7.1-7.7 QD2 LEU 70 - HB3 GLU 43 far 0 96 0 - 8.2-11.0 QD1 LEU 70 - HB3 GLU 43 far 0 96 0 - 8.2-10.2 QG2 VAL 32 - HB3 GLU 43 far 0 84 0 - 8.7-9.6 QG2 ILE 52 - HB3 GLU 43 far 0 67 0 - 8.8-10.3 QD2 LEU 38 - HB3 GLU 43 far 0 92 0 - 9.1-10.3 QD1 ILE 76 - HB3 GLU 35 far 0 90 0 - 9.2-12.1 QG2 ILE 15 - HB2 GLU 23 far 0 96 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10421 from cnoeabs.peaks (0.79, 2.17, 29.20 ppm; 4.91 A): 2 out of 17 assignments used, quality = 0.93: QG2 ILE 15 + HB3 GLU 16 OK 86 87 100 99 3.4-5.2 8530/3.0=79, 4.4/6238=75...(11) QD2 LEU 2 + HB3 GLN 50 OK 51 65 80 98 3.7-6.7 ~10629=56, ~10626=42...(11) QG2 ILE 52 - HB3 GLN 50 poor 16 79 20 - 4.2-7.0 QD1 ILE 15 - HB3 GLU 16 far 0 84 0 - 5.8-7.0 QG2 ILE 93 - HB3 GLU 23 far 0 60 0 - 6.1-7.4 QD1 ILE 93 - HB3 GLU 95 far 0 66 0 - 6.1-8.9 QG2 ILE 93 - HB3 GLU 95 far 0 42 0 - 6.2-7.7 HG13 ILE 15 - HB3 GLU 16 far 0 75 0 - 6.9-8.0 QD1 ILE 93 - HB3 GLU 23 far 0 88 0 - 7.0-8.8 QD1 LEU 27 - HB3 GLU 95 far 0 65 0 - 7.1-8.1 QG2 ILE 7 - HB3 GLU 16 far 0 98 0 - 7.2-7.8 QD1 LEU 27 - HB3 GLU 23 far 0 87 0 - 7.3-8.8 QD2 LEU 57 - HB3 GLU 95 far 0 70 0 - 7.6-9.8 QD1 ILE 93 - HB3 GLU 16 far 0 96 0 - 7.9-9.8 QG2 ILE 15 - HB3 GLU 23 far 0 79 0 - 8.6-10.2 QD1 ILE 76 - HB3 GLN 50 far 0 74 0 - 9.0-11.2 QG2 ILE 93 - HB3 GLU 16 far 0 68 0 - 10.0-11.4 Violated in 2 structures by 0.01 A. Peak 10423 from cnoeabs.peaks (0.64, 4.04, 59.03 ppm; 5.37 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 29 + HA GLU 16 OK 96 100 100 96 4.1-5.4 8693/6278=49...(13) QD1 LEU 29 + HA GLU 16 OK 87 99 100 88 5.3-6.0 8691/6278=29...(10) QD1 LEU 29 + HA LYS 20 OK 60 78 80 96 5.8-6.8 8690/6344=58...(10) QD1 ILE 7 + HA GLU 16 OK 55 88 85 73 5.6-6.6 276/8530=21...(8) QD2 LEU 29 + HA LYS 20 OK 49 81 65 93 5.7-6.9 8692/6344=52...(9) QD1 ILE 7 - HA GLU 17 far 0 43 0 - 6.3-7.1 QD1 LEU 29 - HA GLU 17 far 0 53 0 - 6.3-6.9 QD2 LEU 29 - HA GLU 17 far 0 55 0 - 6.7-7.7 QD1 LEU 14 - HA GLU 17 far 0 31 0 - 6.9-8.2 QD1 LEU 14 - HA GLU 16 far 0 70 0 - 7.8-8.8 QD1 ILE 7 - HA LYS 20 far 0 65 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 10424 from cnoeabs.peaks (0.69, 2.30, 36.00 ppm; 4.20 A): 3 out of 21 assignments used, quality = 0.99: QG2 VAL 58 + HG2 GLU 63 OK 89 94 95 100 3.8-5.2 2.1/10716=57...(22) QG1 VAL 58 + HG2 GLU 63 OK 82 82 100 100 3.1-4.8 10716=53, 9381/3.0=48...(24) QD1 ILE 8 + HG2 GLU 63 OK 50 95 55 95 3.7-6.5 8308/3.0=44...(10) QD1 LEU 42 - HG3 GLU 43 poor 10 48 20 - 4.7-6.0 QD1 LEU 29 - HG2 GLU 23 far 0 22 0 - 5.2-6.5 QD2 LEU 14 - HG3 GLU 16 far 0 96 0 - 6.4-8.1 QD1 LEU 14 - HG3 GLU 16 far 0 96 0 - 6.8-9.0 QD2 LEU 14 - HG2 GLU 63 far 0 96 0 - 7.3-10.2 QG2 VAL 78 - HG3 GLU 43 far 0 33 0 - 7.3-11.6 QD2 LEU 27 - HG2 GLU 23 far 0 26 0 - 7.4-9.0 QD1 LEU 29 - HG3 GLU 16 far 0 57 0 - 7.6-8.9 QG2 VAL 54 - HG3 GLU 43 far 0 23 0 - 7.8-10.0 QG1 VAL 5 - HG2 GLU 23 far 0 29 0 - 8.1-9.2 QD2 LEU 6 - HG3 GLU 43 far 0 47 0 - 8.3-10.5 QD1 ILE 56 - HG2 GLU 63 far 0 97 0 - 8.3-10.4 QD1 LEU 14 - HG2 GLU 63 far 0 95 0 - 8.3-10.9 QD1 ILE 52 - HG3 GLU 43 far 0 48 0 - 8.3-10.0 QD1 ILE 56 - HG3 GLU 43 far 0 44 0 - 9.0-11.1 QD2 LEU 6 - HG2 GLU 23 far 0 48 0 - 9.6-12.0 HG13 ILE 56 - HG2 GLU 63 far 0 90 0 - 9.9-12.4 QD2 LEU 6 - HG2 GLU 63 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10425 from cnoeabs.peaks (0.77, 2.30, 36.00 ppm; 4.07 A): 2 out of 26 assignments used, quality = 0.94: QG2 ILE 8 + HG2 GLU 63 OK 91 96 100 94 2.1-5.0 10744/3.0=44...(12) QG2 ILE 15 + HG3 GLU 16 OK 33 61 65 83 3.7-5.4 4.4/6240=49, 8530/4.1=33...(6) QD1 ILE 76 - HG3 GLU 43 poor 18 32 55 - 3.1-6.1 QD1 ILE 15 - HG3 GLU 16 far 0 98 0 - 5.2-7.0 QD2 LEU 42 - HG3 GLU 43 far 0 48 0 - 5.6-7.0 QG2 ILE 93 - HG2 GLU 23 far 0 40 0 - 6.1-7.5 HG13 ILE 15 - HG3 GLU 16 far 0 95 0 - 6.5-8.0 QD2 LEU 70 - HG3 GLU 43 far 0 25 0 - 6.5-9.0 QD1 ILE 93 - HG2 GLU 23 far 0 50 0 - 6.7-8.1 QG2 ILE 7 - HG3 GLU 16 far 0 82 0 - 6.9-8.2 QD1 LEU 64 - HG2 GLU 63 far 0 77 0 - 7.1-7.9 QD1 LEU 6 - HG3 GLU 43 far 0 48 0 - 7.1-9.3 QD1 LEU 27 - HG2 GLU 23 far 0 49 0 - 7.3-8.6 QG2 ILE 15 - HG2 GLU 23 far 0 24 0 - 7.4-8.4 QG1 VAL 78 - HG3 GLU 43 far 0 35 0 - 7.7-10.9 QD1 ILE 93 - HG3 GLU 16 far 0 100 0 - 7.9-10.4 QD1 ILE 15 - HG2 GLU 63 far 0 98 0 - 8.0-10.8 QG2 ILE 7 - HG2 GLU 63 far 0 82 0 - 8.1-10.5 HG13 ILE 93 - HG2 GLU 23 far 0 34 0 - 8.4-11.6 QG1 VAL 54 - HG3 GLU 43 far 0 46 0 - 8.6-10.4 QG2 ILE 52 - HG3 GLU 43 far 0 47 0 - 8.7-11.4 QD2 LEU 70 - HG2 GLU 63 far 0 65 0 - 8.9-11.4 QG2 ILE 7 - HG2 GLU 23 far 0 35 0 - 9.0-9.9 QD1 LEU 6 - HG2 GLU 63 far 0 100 0 - 9.2-12.0 QD2 LEU 57 - HG2 GLU 63 far 0 86 0 - 9.5-10.9 HG13 ILE 15 - HG2 GLU 63 far 0 94 0 - 9.9-12.8 Violated in 1 structures by 0.01 A. Peak 10426 from cnoeabs.peaks (0.87, 2.30, 36.00 ppm; 5.60 A): 1 out of 9 assignments used, quality = 0.48: HG13 ILE 8 + HG2 GLU 63 OK 48 97 50 99 4.8-7.9 3.1/10425=67, ~8308=56...(10) QG2 ILE 76 - HG3 GLU 43 poor 12 46 25 - 5.8-8.6 QG1 VAL 32 - HG2 GLU 63 far 10 69 15 - 5.8-8.4 QD1 LEU 38 - HG2 GLU 63 far 5 97 5 - 6.3-9.8 QD1 LEU 38 - HG3 GLU 43 far 2 45 5 - 6.3-10.5 QD2 LEU 64 - HG2 GLU 63 far 0 98 0 - 6.8-8.1 HG13 ILE 7 - HG2 GLU 63 far 0 91 0 - 8.1-10.6 QG1 VAL 32 - HG3 GLU 43 far 0 27 0 - 8.8-11.7 HG13 ILE 7 - HG3 GLU 16 far 0 92 0 - 9.0-10.9 Violated in 19 structures by 0.97 A. Peak 10428 from cnoeabs.peaks (0.80, 2.01, 29.01 ppm; 4.52 A): 4 out of 34 assignments used, quality = 0.91: QD1 LEU 70 + HB2 GLU 35 OK 53 54 100 99 1.9-5.4 9549=38, 10527/1.8=34...(22) QD2 LEU 70 + HB2 GLU 35 OK 51 60 85 99 2.9-6.1 2.1/9549=37...(24) QD2 LEU 2 + HB2 GLN 50 OK 49 82 60 99 4.4-7.0 2.1/10629=48, ~12293=48...(17) QD1 ILE 93 + HB3 GLU 17 OK 20 84 50 49 5.0-6.8 11003/6269=29...(4) QD2 LEU 38 - HB2 GLU 35 poor 16 46 35 - 3.7-7.1 QG2 ILE 52 - HB2 GLN 50 far 12 79 15 - 5.0-7.6 QD1 LEU 6 - HB2 GLU 44 far 0 47 0 - 5.6-7.7 QD1 ILE 15 - HB3 GLU 17 far 0 65 0 - 5.9-7.6 QG2 ILE 15 - HB3 GLU 17 far 0 97 0 - 5.9-6.6 QD1 ILE 76 - HB2 GLU 44 far 0 62 0 - 5.9-7.3 QG2 ILE 8 - HB2 GLU 35 far 0 62 0 - 6.3-8.3 QG2 ILE 7 - HB3 GLU 17 far 0 100 0 - 6.6-7.4 QG1 VAL 54 - HB2 GLU 44 far 0 37 0 - 6.6-9.2 QD2 LEU 42 - HB2 GLU 44 far 0 43 0 - 6.6-8.0 QD1 ILE 76 - HB3 GLU 44 far 0 62 0 - 6.9-8.0 QG2 ILE 52 - HB2 GLU 44 far 0 55 0 - 6.9-9.6 QD1 LEU 57 - HB3 GLU 17 far 0 73 0 - 7.0-9.8 QD1 LEU 6 - HB3 GLU 44 far 0 47 0 - 7.1-8.6 QG2 VAL 32 - HB2 GLU 35 far 0 35 0 - 7.4-8.1 QG2 ILE 52 - HB3 GLU 44 far 0 55 0 - 7.6-9.6 QG2 VAL 32 - HB2 GLU 44 far 0 34 0 - 7.6-9.8 QD2 LEU 57 - HB3 GLU 17 far 0 100 0 - 7.7-10.4 QD2 LEU 2 - HB2 GLU 44 far 0 59 0 - 7.8-10.9 QG1 VAL 54 - HB3 GLU 44 far 0 37 0 - 8.0-9.1 QD2 LEU 42 - HB3 GLU 44 far 0 43 0 - 8.0-8.4 QD2 LEU 2 - HB3 GLU 44 far 0 59 0 - 8.2-11.3 QD2 LEU 103 - HB2 GLN 50 far 0 59 0 - 8.5-18.2 QD2 LEU 38 - HB2 GLU 44 far 0 45 0 - 8.5-11.8 QD1 LEU 6 - HB2 GLU 35 far 0 48 0 - 8.5-10.1 QD2 LEU 42 - HB2 GLU 35 far 0 44 0 - 8.7-10.7 QG2 VAL 32 - HB3 GLU 44 far 0 34 0 - 8.7-10.3 QD1 ILE 76 - HB2 GLU 35 far 0 64 0 - 9.5-12.4 QD1 ILE 76 - HB2 GLN 50 far 0 87 0 - 9.7-12.1 QD2 LEU 38 - HB3 GLU 44 far 0 45 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 10429 from cnoeabs.peaks (0.70, 2.01, 29.01 ppm; 4.63 A): 2 out of 22 assignments used, quality = 0.91: QD2 LEU 14 + HB3 GLU 17 OK 81 100 95 85 4.1-5.7 4.0/593=49, 8400/6269=19...(11) QD1 LEU 14 + HB3 GLU 17 OK 51 85 80 75 4.4-5.8 4.0/593=49, 10431/3.0=20...(7) QD1 ILE 52 - HB2 GLU 44 poor 15 61 25 - 5.2-7.4 QD1 ILE 52 - HB2 GLN 50 far 4 86 5 - 5.3-8.0 QD1 ILE 52 - HB3 GLU 44 far 0 61 0 - 5.6-7.3 QD1 ILE 8 - HB2 GLU 35 far 0 63 0 - 5.7-8.3 QD2 LEU 6 - HB2 GLU 44 far 0 56 0 - 5.9-8.3 QD1 LEU 42 - HB2 GLU 35 far 0 59 0 - 6.2-8.2 QD2 LEU 6 - HB3 GLU 44 far 0 56 0 - 7.1-8.9 QD1 LEU 42 - HB2 GLU 44 far 0 58 0 - 7.4-8.7 QG1 VAL 58 - HB2 GLU 35 far 0 56 0 - 7.6-9.4 QD1 ILE 56 - HB2 GLU 35 far 0 64 0 - 7.9-10.6 QG1 VAL 5 - HB3 GLU 17 far 0 87 0 - 8.0-9.7 QG2 VAL 78 - HB2 GLU 44 far 0 54 0 - 8.0-11.3 QD1 LEU 42 - HB3 GLU 44 far 0 58 0 - 8.6-9.3 QD1 ILE 56 - HB2 GLU 44 far 0 62 0 - 9.0-12.4 QG2 VAL 58 - HB2 GLU 35 far 0 46 0 - 9.2-11.7 QG2 VAL 78 - HB3 GLU 44 far 0 54 0 - 9.3-12.3 QD2 LEU 6 - HB2 GLU 35 far 0 57 0 - 9.4-11.6 HG13 ILE 56 - HB2 GLU 35 far 0 60 0 - 9.7-13.4 QD1 LEU 64 - HB2 GLU 35 far 0 31 0 - 9.8-12.7 QG2 VAL 78 - HB2 GLU 35 far 0 55 0 - 9.9-12.6 Violated in 2 structures by 0.01 A. Peak 10430 from cnoeabs.peaks (0.80, 2.43, 36.00 ppm; 4.65 A): 1 out of 17 assignments used, quality = 0.77: QD2 LEU 2 + HG3 GLU 48 OK 77 82 95 99 2.1-5.6 2.1/10432=78, ~9038=40...(16) QG2 ILE 52 - HG3 GLU 48 poor 18 71 25 - 4.0-6.8 QD2 LEU 103 - HG3 GLU 99 far 8 78 10 - 3.2-12.4 QD1 LEU 27 - HG3 GLU 99 far 0 71 0 - 6.0-9.8 QG2 ILE 15 - HG3 GLU 17 far 0 99 0 - 6.5-7.6 QD1 ILE 93 - HG3 GLU 17 far 0 77 0 - 6.7-8.7 QD1 ILE 76 - HG3 GLU 48 far 0 84 0 - 7.4-10.2 QG2 ILE 7 - HG3 GLU 17 far 0 100 0 - 7.9-9.3 QD1 LEU 57 - HG3 GLU 17 far 0 81 0 - 8.2-11.7 QD2 LEU 57 - HG3 GLU 99 far 0 98 0 - 8.4-12.0 QG1 VAL 54 - HG3 GLU 48 far 0 45 0 - 8.6-11.1 QD1 LEU 57 - HG3 GLU 99 far 0 76 0 - 8.7-12.8 QD2 LEU 42 - HG3 GLU 48 far 0 53 0 - 8.8-11.1 QD1 ILE 93 - HG3 GLU 99 far 0 73 0 - 9.3-12.6 QD2 LEU 57 - HG3 GLU 17 far 0 100 0 - 9.4-12.6 QG1 VAL 54 - HG3 GLU 99 far 0 58 0 - 9.5-14.4 QD2 LEU 2 - HG3 GLU 99 far 0 96 0 - 10.0-14.1 Violated in 12 structures by 0.36 A. Peak 10431 from cnoeabs.peaks (0.69, 2.43, 36.00 ppm; 4.29 A): 2 out of 10 assignments used, quality = 0.89: QD1 ILE 52 + HG3 GLU 48 OK 83 83 100 100 2.2-4.3 9175=77, 9177/3.0=66...(23) QD1 LEU 14 + HG3 GLU 17 OK 36 99 40 91 4.5-7.7 4.0/8478=40, 8417=27...(13) QD2 LEU 14 - HG3 GLU 17 far 9 92 10 - 4.8-7.3 QG2 VAL 54 - HG3 GLU 48 far 0 52 0 - 6.2-9.1 QD1 LEU 29 - HG3 GLU 17 far 0 68 0 - 7.7-8.7 QG1 VAL 5 - HG3 GLU 99 far 0 58 0 - 9.1-13.0 QG2 VAL 78 - HG3 GLU 99 far 0 67 0 - 9.2-14.5 QG2 VAL 78 - HG3 GLU 48 far 0 53 0 - 9.4-13.4 QG2 VAL 54 - HG3 GLU 99 far 0 65 0 - 9.5-14.3 QG1 VAL 5 - HG3 GLU 17 far 0 61 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 10432 from cnoeabs.peaks (0.87, 2.43, 36.00 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.79: QD1 LEU 2 + HG3 GLU 48 OK 79 79 100 100 2.2-5.2 2.1/10430=71, 8056=64...(17) QD1 LEU 103 - HG3 GLU 99 lone 0 98 25 1 4.4-12.5 QG2 ILE 76 - HG3 GLU 48 far 0 78 0 - 6.7-9.3 HG13 ILE 7 - HG3 GLU 17 far 0 87 0 - 8.8-10.9 Violated in 5 structures by 0.13 A. Peak 10433 from cnoeabs.peaks (1.69, 2.01, 29.01 ppm; 3.35 A): 2 out of 32 assignments used, quality = 0.48: HD3 LYS 47 + HB3 GLU 44 OK 34 59 65 87 3.0-7.9 12090/3.0=23...(18) HD3 LYS 90 + HB3 GLU 17 OK 21 100 25 85 3.3-7.0 2.9/12029=25...(35) HD2 LYS 47 - HB3 GLU 44 far 6 59 10 - 2.8-8.6 HG LEU 70 - HB2 GLU 35 far 3 64 5 - 3.9-8.1 HD3 LYS 66 - HB2 GLU 35 far 3 62 5 - 3.7-9.3 HD2 LYS 47 - HB2 GLU 44 far 0 59 0 - 4.3-9.3 HD3 LYS 47 - HB2 GLU 44 far 0 59 0 - 4.5-8.8 HG2 PRO 86 - HB3 GLU 17 far 0 100 0 - 4.6-6.3 HD2 LYS 20 - HB3 GLU 17 far 0 96 0 - 4.8-8.2 HD3 LYS 20 - HB3 GLU 17 far 0 93 0 - 5.0-9.0 HD2 LYS 39 - HB2 GLU 35 far 0 31 0 - 5.2-9.7 HB3 LEU 70 - HB2 GLU 35 far 0 52 0 - 5.3-8.7 HD2 LYS 13 - HB3 GLU 17 far 0 100 0 - 5.4-8.9 HG3 LYS 20 - HB3 GLU 17 far 0 93 0 - 5.4-8.7 HB ILE 52 - HB2 GLN 50 far 0 72 0 - 5.5-7.2 HB3 LYS 40 - HB2 GLU 44 far 0 60 0 - 6.1-8.3 HB ILE 15 - HB3 GLU 17 far 0 65 0 - 6.4-7.4 HD3 LYS 13 - HB3 GLU 17 far 0 99 0 - 6.5-10.0 HD2 LYS 73 - HB2 GLU 35 far 0 47 0 - 6.5-14.7 HB3 LYS 40 - HB3 GLU 44 far 0 60 0 - 6.6-9.0 HB2 LEU 2 - HB2 GLN 50 far 0 86 0 - 7.1-11.3 HD3 LYS 73 - HB2 GLU 35 far 0 45 0 - 7.4-14.2 HG12 ILE 15 - HB3 GLU 17 far 0 100 0 - 7.9-8.6 HB3 ARG 91 - HB3 GLU 17 far 0 99 0 - 8.1-10.8 HB ILE 52 - HB2 GLU 44 far 0 50 0 - 8.8-11.6 HB3 LYS 40 - HB2 GLU 35 far 0 61 0 - 8.9-10.7 HD2 LYS 12 - HB3 GLU 17 far 0 100 0 - 8.9-13.1 HD3 LYS 12 - HB3 GLU 17 far 0 100 0 - 9.2-13.0 HB2 LEU 2 - HB3 GLU 44 far 0 61 0 - 9.3-13.3 HB2 LEU 2 - HB2 GLU 44 far 0 61 0 - 9.3-13.1 HB ILE 52 - HB3 GLU 44 far 0 50 0 - 9.4-11.6 HD2 LYS 47 - HB2 GLN 50 far 0 82 0 - 9.5-13.4 Violated in 17 structures by 0.63 A. Peak 10434 from cnoeabs.peaks (1.48, 2.01, 29.01 ppm; 4.21 A): 2 out of 31 assignments used, quality = 0.38: HG3 LYS 66 + HB2 GLU 35 OK 22 60 45 83 2.8-8.1 ~12289=27, 12156/1.8=26...(13) HG2 LYS 47 + HB3 GLU 44 OK 21 60 35 99 4.0-7.2 12088/3.0=61...(16) HG2 LYS 47 - HB2 GLU 44 far 9 60 15 - 4.7-7.9 HB2 LEU 38 - HB2 GLU 35 far 5 48 10 - 4.8-8.1 HG2 LYS 66 - HB2 GLU 35 far 3 61 5 - 4.2-9.7 HG LEU 38 - HB2 GLU 35 far 3 53 5 - 5.1-7.0 HG2 LYS 20 - HB3 GLU 17 far 0 88 0 - 5.1-8.8 HG3 LYS 39 - HB2 GLU 35 far 0 31 0 - 5.3-8.6 HD2 LYS 40 - HB3 GLU 44 far 0 56 0 - 6.2-10.1 HG LEU 2 - HB2 GLN 50 far 0 53 0 - 6.3-9.4 HG3 LYS 13 - HB3 GLU 17 far 0 95 0 - 6.4-9.3 HD2 LYS 40 - HB2 GLU 44 far 0 56 0 - 6.5-9.6 HD3 LYS 40 - HB2 GLU 44 far 0 57 0 - 6.6-9.7 HG13 ILE 52 - HB2 GLN 50 far 0 72 0 - 7.0-9.9 HD3 LYS 40 - HB3 GLU 44 far 0 57 0 - 7.3-10.4 HG13 ILE 52 - HB2 GLU 44 far 0 50 0 - 7.4-10.8 HG2 LYS 47 - HB2 GLN 50 far 0 84 0 - 7.6-12.2 HG LEU 57 - HB3 GLU 17 far 0 91 0 - 7.7-10.0 HG3 ARG 91 - HB3 GLU 17 far 0 81 0 - 8.1-13.2 HG13 ILE 52 - HB3 GLU 44 far 0 50 0 - 8.4-10.7 HB2 ARG 91 - HB3 GLU 17 far 0 100 0 - 8.4-12.0 HG2 LYS 53 - HB2 GLN 50 far 0 79 0 - 8.8-9.7 HG LEU 2 - HB2 GLU 44 far 0 35 0 - 8.8-11.5 HG LEU 2 - HB3 GLU 44 far 0 35 0 - 8.8-11.6 HG3 LYS 53 - HB2 GLN 50 far 0 83 0 - 9.1-10.7 HD3 LYS 40 - HB2 GLU 35 far 0 58 0 - 9.2-12.6 HD2 LYS 53 - HB2 GLN 50 far 0 74 0 - 9.3-11.7 HG3 LYS 39 - HB2 GLU 44 far 0 30 0 - 9.4-11.7 HG2 LYS 73 - HB2 GLU 35 far 0 60 0 - 9.4-12.4 HG2 LYS 12 - HB3 GLU 17 far 0 68 0 - 9.6-11.4 HD2 LYS 40 - HB2 GLU 35 far 0 57 0 - 10.0-12.7 Violated in 14 structures by 0.48 A. Peak 10436 from cnoeabs.peaks (1.70, 2.24, 36.00 ppm; 4.22 A): 1 out of 25 assignments used, quality = 0.35: HG2 PRO 86 + HG2 GLU 17 OK 35 99 45 78 3.4-6.7 10184/1.8=53...(7) HD2 LYS 13 - HG2 GLU 17 far 15 100 15 - 3.4-7.6 HD3 LYS 90 - HG2 GLU 17 far 15 100 15 - 3.0-9.0 HD3 LYS 13 - HG2 GLU 17 far 10 100 10 - 4.2-8.3 HD2 LYS 20 - HG2 GLU 17 poor 8 85 35 25 4.1-9.1 905/729=7, 12233=7...(5) HG3 LYS 20 - HG2 GLU 23 poor 7 37 20 - 4.8-8.6 HD3 LYS 20 - HG2 GLU 17 poor 7 81 35 24 3.7-9.8 1.8/12233=7, 12233=6...(5) HD2 LYS 24 - HG2 GLU 23 far 5 53 10 - 5.0-9.9 HG3 LYS 20 - HG2 GLU 17 far 4 81 5 - 4.5-9.0 HD3 LYS 20 - HG2 GLU 23 far 4 37 10 - 4.1-9.1 HD2 LYS 90 - HG2 GLU 17 far 3 63 5 - 3.3-8.3 HD3 LYS 24 - HG2 GLU 23 far 3 53 5 - 4.8-9.6 HD2 LYS 20 - HG2 GLU 23 far 2 40 5 - 5.0-9.6 HB3 LYS 53 - HG2 GLU 99 far 0 67 0 - 6.0-11.4 HB ILE 15 - HG2 GLU 17 far 0 82 0 - 6.8-8.5 HD2 ARG 81 - HG2 GLU 99 far 0 61 0 - 8.0-15.1 HD3 LYS 12 - HG2 GLU 17 far 0 100 0 - 8.4-13.6 HD3 LYS 90 - HG2 GLU 23 far 0 53 0 - 8.6-13.9 HG12 ILE 15 - HG2 GLU 17 far 0 99 0 - 8.8-10.2 HB3 ARG 91 - HG2 GLU 17 far 0 92 0 - 8.9-13.4 HD2 LYS 12 - HG2 GLU 17 far 0 100 0 - 9.1-13.5 HB3 ARG 91 - HG2 GLU 99 far 0 64 0 - 9.1-13.1 HB3 ARG 91 - HG2 GLU 98 far 0 50 0 - 9.4-13.8 HD2 LYS 90 - HG2 GLU 23 far 0 28 0 - 9.4-14.5 HD3 LYS 24 - HG2 GLU 98 far 0 59 0 - 9.9-14.5 Violated in 16 structures by 0.87 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 99 100 100 100 2.9-4.7 2.1/10020=91, ~8480=56...(13) HB3 GLU 17 + QB ALA 18 OK 84 85 100 99 3.8-4.1 6269/2.9=61, ~742=39...(16) HB2 MET 21 + QB ALA 18 OK 82 93 90 98 3.9-5.4 770/2.1=51, 6347/8569=42...(13) HB3 LYS 94 - QB ALA 18 far 0 99 0 - 7.3-9.4 HG3 GLU 28 - QB ALA 18 far 0 73 0 - 8.7-11.6 HG2 GLU 28 - QB ALA 18 far 0 73 0 - 8.9-11.8 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 1 assignment used, quality = 1.00: QB ALA 18 + HB2 ARG 19 OK 100 100 100 100 4.0-5.5 6283/789=92, 8511/3.0=82...(14) Violated in 12 structures by 0.02 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 3.8-5.1 6283/799=88, 8511/3.0=77...(13) Violated in 1 structures by 0.00 A. Peak 10443 from cnoeabs.peaks (1.61, 2.10, 17.93 ppm; 3.38 A): 3 out of 7 assignments used, quality = 0.83: HD3 LYS 94 + QE MET 21 OK 55 99 65 86 2.4-5.0 12251=31, 3.0/12253=26...(13) HG2 LYS 24 + QE MET 21 OK 43 88 75 66 2.8-5.2 3.7/8540=30, 8565/954=21...(7) HD2 LYS 94 + QE MET 21 OK 33 96 40 86 3.8-5.6 1.8/12251=30, 12250=26...(12) HG3 LYS 90 - QE MET 21 far 0 85 0 - 4.3-7.1 HG LEU 27 - QE MET 21 far 0 99 0 - 5.5-6.4 HB3 LEU 29 - QE MET 21 far 0 98 0 - 7.2-8.4 HG2 ARG 19 - QE MET 21 far 0 87 0 - 7.9-9.7 Violated in 5 structures by 0.03 A. Peak 10444 from cnoeabs.peaks (1.71, 2.10, 17.93 ppm; 3.42 A): 0 out of 8 assignments used, quality = 0.00: HD3 LYS 90 - QE MET 21 far 5 96 5 - 4.0-7.8 HD3 LYS 24 - QE MET 21 far 5 96 5 - 4.2-5.9 HD2 LYS 24 - QE MET 21 far 0 96 0 - 4.6-5.9 HD2 LYS 90 - QE MET 21 far 0 81 0 - 4.6-7.4 HG3 LYS 20 - QE MET 21 far 0 63 0 - 5.2-8.0 HB3 ARG 91 - QE MET 21 far 0 79 0 - 6.1-7.7 HD3 LYS 20 - QE MET 21 far 0 63 0 - 6.8-8.9 HD2 LYS 20 - QE MET 21 far 0 70 0 - 7.2-8.9 Violated in 20 structures by 0.72 A. Peak 10445 from cnoeabs.peaks (0.66, 2.10, 17.93 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.59: QD1 LEU 29 + QE MET 21 OK 59 100 75 79 5.3-6.6 8690/6351=60...(6) QD2 LEU 29 - QE MET 21 far 0 95 0 - 6.9-8.0 QD1 ILE 7 - QE MET 21 far 0 59 0 - 7.4-8.5 QD1 LEU 14 - QE MET 21 far 0 94 0 - 9.1-10.5 Violated in 20 structures by 0.82 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 10463/2.1=89...(15) HA GLN 72 + HA ALA 71 OK 47 48 100 100 4.7-4.7 ~7170=60, ~3181=57...(18) HA LYS 24 - HA ALA 22 far 0 77 0 - 6.4-6.7 HA GLU 62 - HA ALA 67 far 0 63 0 - 8.5-9.9 HA GLN 72 - HA ALA 67 far 0 51 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 10448 from cnoeabs.peaks (4.40, 3.83, 55.43 ppm; 4.77 A): 2 out of 5 assignments used, quality = 1.00: HA MET 21 + HA ALA 22 OK 99 100 100 100 4.8-4.9 6360/3.6=55...(14) HA ALA 25 + HA ALA 22 OK 89 99 90 100 5.2-5.7 3.0/6394=80, 2.1/1006=59...(11) HA MET 74 - HA ALA 71 far 9 61 15 - 5.4-6.4 HA ILE 76 - HA ALA 71 far 5 46 10 - 5.6-7.1 HA VAL 32 - HA ALA 67 far 0 64 0 - 9.2-11.0 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 3.6-3.9 4.5=100 HA LYS 24 - QB ALA 22 far 0 68 0 - 6.5-6.8 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 1 assignment used, quality = 0.99: HA GLU 28 + QB ALA 22 OK 99 100 100 99 3.2-4.7 6462/8586=79...(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 3.7-4.3 2.9/8577=89, 2.9/8586=75...(15) 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 4.2-4.9 ~8638=80, ~8636=77...(15) HA LEU 55 - QB ALA 22 far 0 96 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 10456 from cnoeabs.peaks (1.76, 1.44, 18.06 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.56: HG3 ARG 19 + QB ALA 22 OK 56 100 60 94 5.0-6.3 782/787=57, 8673/8580=40...(6) HB2 GLU 28 - QB ALA 22 poor 19 94 20 - 5.1-6.4 HD2 LYS 90 - QB ALA 22 far 0 91 0 - 7.0-9.8 HB ILE 15 - QB ALA 22 far 0 75 0 - 9.1-9.9 Violated in 20 structures by 0.82 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 3.7-4.4 6363/1042=72...(10) HG2 LYS 20 - HG3 GLU 23 far 13 90 15 - 4.0-8.4 HD2 LYS 82 - HG3 GLU 63 far 0 43 0 - 5.8-7.5 HB2 LEU 27 - HG3 GLU 23 far 0 90 0 - 6.0-7.7 HG LEU 29 - HG3 GLU 23 far 0 100 0 - 7.5-9.1 HG12 ILE 7 - HG3 GLU 63 far 0 54 0 - 8.1-10.8 HG LEU 38 - HG3 GLU 63 far 0 43 0 - 8.2-10.7 HB2 LEU 38 - HG3 GLU 63 far 0 47 0 - 8.9-11.1 QB ALA 22 - HG3 GLU 98 far 0 73 0 - 9.0-10.5 HG3 ARG 91 - HG3 GLU 98 far 0 65 0 - 9.1-12.7 HB2 LEU 27 - HG3 GLU 98 far 0 60 0 - 9.4-11.1 Violated in 2 structures by 0.00 A. Peak 10460 from cnoeabs.peaks (1.46, 2.27, 36.23 ppm; 4.30 A): 4 out of 43 assignments used, quality = 0.93: QB ALA 22 + HG2 GLU 23 OK 85 87 100 98 3.6-4.4 10463/1016=66...(7) HG2 LYS 66 + HG2 GLU 62 OK 24 34 85 85 2.4-6.2 2.9/12290=22...(15) HG2 LYS 66 + HG3 GLU 62 OK 23 34 80 85 2.4-7.3 2.9/12290=21, ~12300=18...(15) HG3 LYS 66 + HG2 GLU 62 OK 21 32 80 84 2.9-5.8 2.9/12290=22...(15) HG3 LYS 66 - HG3 GLU 62 poor 17 32 65 85 3.0-7.5 2.9/12290=21, ~12300=18...(15) HG3 ARG 91 - HG2 GLU 95 poor 16 85 35 53 3.4-9.7 ~10040=41, 2.8/12233=6...(6) HG2 LYS 20 - HG2 GLU 23 poor 12 100 55 21 4.3-7.8 3.7/10470=18, 10461/2.9=3 HB2 ARG 91 - HG2 GLU 95 far 10 65 15 - 4.1-8.2 HG2 LYS 12 - HG3 GLU 16 poor 9 45 20 - 4.4-8.1 HG3 LYS 13 - HG3 GLU 16 poor 8 24 35 - 4.5-6.5 HG3 LYS 13 - HG2 GLU 17 far 1 27 5 - 5.2-8.4 HG2 LYS 20 - HG2 GLU 17 far 0 54 0 - 5.3-9.6 HG2 LYS 20 - HG3 GLU 16 far 0 50 0 - 5.6-8.3 HD2 LYS 82 - HG2 GLU 63 far 0 57 0 - 5.6-7.8 HG2 LYS 66 - HG2 GLU 63 far 0 35 0 - 5.7-9.6 HG3 LYS 66 - HG2 GLU 63 far 0 32 0 - 5.7-8.8 HB2 LEU 27 - HG2 GLU 23 far 0 100 0 - 5.8-7.5 HG2 LYS 13 - HG3 GLU 16 far 0 33 0 - 5.8-7.6 HB3 LEU 64 - HG2 GLU 63 far 0 36 0 - 5.9-7.1 HG2 LYS 13 - HG2 GLU 17 far 0 36 0 - 6.1-8.1 HG LEU 29 - HG2 GLU 23 far 0 87 0 - 7.3-9.0 HG LEU 64 - HG3 GLU 62 far 0 45 0 - 7.6-9.1 HG LEU 64 - HG2 GLU 62 far 0 45 0 - 7.9-9.8 HG LEU 38 - HG2 GLU 63 far 0 57 0 - 7.9-10.9 HG LEU 64 - HG2 GLU 63 far 0 46 0 - 7.9-9.1 HB3 LEU 64 - HG3 GLU 62 far 0 35 0 - 8.0-9.8 HB3 LEU 64 - HG2 GLU 62 far 0 35 0 - 8.1-9.7 HG12 ILE 7 - HG2 GLU 63 far 0 31 0 - 8.1-11.2 HG3 ARG 91 - HG2 GLU 17 far 0 53 0 - 8.2-15.6 QB ALA 22 - HG2 GLU 95 far 0 70 0 - 8.7-11.9 HG LEU 38 - HG3 GLU 62 far 0 55 0 - 8.8-13.4 HD2 LYS 82 - HG2 GLU 62 far 0 55 0 - 8.8-10.6 HB2 LEU 38 - HG2 GLU 63 far 0 56 0 - 8.8-10.9 HB2 ARG 91 - HG2 GLU 17 far 0 38 0 - 9.1-13.6 HD2 LYS 82 - HG3 GLU 62 far 0 55 0 - 9.2-10.6 HG2 LYS 12 - HG2 GLU 17 far 0 50 0 - 9.2-11.6 QB ALA 22 - HG2 GLU 17 far 0 41 0 - 9.3-10.3 QB ALA 22 - HG3 GLU 16 far 0 38 0 - 9.4-10.7 HG LEU 38 - HG2 GLU 62 far 0 55 0 - 9.4-12.3 HG12 ILE 7 - HG2 GLU 17 far 0 30 0 - 9.4-10.9 HB2 LEU 38 - HG3 GLU 62 far 0 55 0 - 9.8-14.2 HG12 ILE 7 - HG3 GLU 16 far 0 27 0 - 9.8-11.6 HB2 LEU 38 - HG2 GLU 62 far 0 55 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 10461 from cnoeabs.peaks (1.48, 2.15, 29.16 ppm; 4.27 A): 3 out of 31 assignments used, quality = 0.68: HG3 LYS 24 + HB3 GLU 23 OK 43 71 85 70 3.2-6.9 5.1/1034=41, 12181=21...(10) HG2 LYS 73 + HB3 GLU 69 OK 27 54 75 67 3.2-6.7 10819/4.6=33...(8) HG2 LYS 20 + HB3 GLU 16 OK 24 86 35 79 3.8-6.7 10462/1.8=30, ~12146=19...(17) HG2 LYS 73 - HB2 GLU 69 poor 20 54 55 67 3.9-7.2 10819/4.6=33...(8) HG2 LYS 66 - HB2 GLU 69 poor 11 55 20 - 4.1-6.6 HG3 ARG 91 - HB3 GLU 95 poor 11 53 20 - 4.2-9.9 HG3 LYS 13 - HB3 GLU 16 far 8 81 10 - 5.0-8.0 HG2 LYS 20 - HB3 GLU 23 poor 6 94 25 27 4.6-6.6 3.7/857=24, 10460/2.9=3 HB2 ARG 91 - HB3 GLU 95 far 3 63 5 - 5.0-8.8 HG LEU 2 - HB3 GLN 50 far 0 31 0 - 5.2-9.0 HG3 LYS 66 - HB2 GLU 69 far 0 53 0 - 5.3-6.8 HG2 LYS 66 - HB3 GLU 69 far 0 55 0 - 5.4-8.0 HG2 LYS 12 - HB3 GLU 16 far 0 69 0 - 6.4-8.2 HG13 ILE 52 - HB3 GLN 50 far 0 58 0 - 6.5-9.0 HB2 LEU 27 - HB3 GLU 23 far 0 94 0 - 6.7-8.3 HG3 LYS 66 - HB3 GLU 69 far 0 53 0 - 6.8-8.3 HG3 LYS 39 - HB2 GLU 69 far 0 36 0 - 6.9-12.0 HG LEU 38 - HB2 GLU 69 far 0 55 0 - 7.3-10.8 HG2 LYS 47 - HB3 GLN 50 far 0 60 0 - 7.3-11.1 HG LEU 64 - HB2 GLU 69 far 0 61 0 - 7.5-9.2 HB2 LEU 38 - HB2 GLU 69 far 0 52 0 - 7.7-10.9 HG3 LYS 39 - HB3 GLU 69 far 0 36 0 - 8.0-12.4 HG LEU 57 - HB3 GLU 95 far 0 49 0 - 8.2-11.6 HG2 LYS 53 - HB3 GLN 50 far 0 63 0 - 8.3-9.8 HB2 LEU 38 - HB3 GLU 69 far 0 52 0 - 8.8-12.6 HG LEU 64 - HB3 GLU 69 far 0 61 0 - 8.8-10.0 HG LEU 38 - HB3 GLU 69 far 0 55 0 - 8.8-12.3 HG3 LYS 53 - HB3 GLN 50 far 0 66 0 - 9.1-11.0 HD2 LYS 53 - HB3 GLN 50 far 0 60 0 - 9.3-11.9 HB3 LEU 64 - HB2 GLU 69 far 0 56 0 - 9.4-10.8 HG13 ILE 76 - HB3 GLN 50 far 0 33 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 10462 from cnoeabs.peaks (1.46, 2.09, 29.16 ppm; 3.90 A): 2 out of 24 assignments used, quality = 0.66: HB2 LEU 38 + HB3 GLU 35 OK 43 88 55 90 4.1-7.4 1627/3.0=21...(28) HG2 LYS 20 + HB2 GLU 16 OK 39 96 55 74 3.4-6.4 2.8/12145=24...(15) HG3 LYS 66 - HB3 GLU 35 poor 19 55 45 76 3.2-6.6 10434/1.8=28, ~12289=22...(15) HG LEU 38 - HB3 GLU 35 poor 18 88 20 - 4.1-5.7 HG3 LYS 39 - HB3 GLU 35 far 8 78 10 - 4.1-7.9 HG2 LYS 66 - HB3 GLU 35 far 3 58 5 - 4.8-8.2 HG2 LYS 12 - HB2 GLU 16 far 0 91 0 - 5.1-9.1 QB ALA 22 - HB2 GLU 23 far 0 87 0 - 5.2-5.5 HG2 LYS 47 - HB3 GLU 43 far 0 49 0 - 5.6-10.4 HG2 LYS 20 - HB2 GLU 23 far 0 100 0 - 5.7-7.9 HG3 LYS 39 - HB3 GLU 43 far 0 67 0 - 5.9-9.0 HD2 LYS 40 - HB3 GLU 43 far 0 75 0 - 5.9-7.8 HG3 LYS 13 - HB2 GLU 16 far 0 55 0 - 6.2-8.1 HD3 LYS 40 - HB3 GLU 43 far 0 75 0 - 6.9-7.7 HG2 LYS 13 - HB2 GLU 16 far 0 72 0 - 7.0-8.6 HB2 LEU 27 - HB2 GLU 23 far 0 100 0 - 7.1-8.4 HG13 ILE 76 - HB3 GLU 43 far 0 61 0 - 7.6-9.2 QB ALA 22 - HB2 GLU 16 far 0 80 0 - 8.4-9.2 HG2 LYS 73 - HB3 GLU 35 far 0 57 0 - 8.6-11.5 HG LEU 38 - HB3 GLU 43 far 0 76 0 - 9.3-11.8 HB2 LEU 38 - HB3 GLU 43 far 0 76 0 - 9.4-11.0 HG LEU 29 - HB2 GLU 16 far 0 80 0 - 9.7-10.9 HG LEU 29 - HB2 GLU 23 far 0 87 0 - 9.8-11.4 HB3 LEU 64 - HB3 GLU 35 far 0 60 0 - 10.0-12.8 Violated in 14 structures by 0.34 A. Peak 10463 from cnoeabs.peaks (1.46, 4.15, 59.00 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.80: QB ALA 22 + HA GLU 23 OK 80 81 100 99 3.6-3.9 4.5=58, 6363/3.0=52...(17) HB2 LEU 27 - HA GLU 23 far 0 100 0 - 4.7-6.1 HG2 LYS 20 - HA GLU 23 far 0 100 0 - 7.3-8.9 HG LEU 29 - HA GLU 23 far 0 81 0 - 8.5-10.1 Violated in 15 structures by 0.03 A. Peak 10464 from cnoeabs.peaks (1.58, 2.49, 36.23 ppm; 4.43 A): 1 out of 12 assignments used, quality = 0.20: HB3 LEU 29 + HG3 GLU 23 OK 20 95 30 71 4.7-6.4 10458/1042=49...(5) HG2 ARG 19 - HG3 GLU 23 poor 20 100 20 - 2.5-8.3 HD2 LYS 66 - HG3 GLU 63 far 0 45 0 - 6.0-10.0 HG2 LYS 24 - HG3 GLU 23 far 0 100 0 - 6.1-8.9 HD3 LYS 82 - HG3 GLU 63 far 0 52 0 - 6.3-9.0 HD3 LYS 94 - HG3 GLU 98 far 0 63 0 - 6.3-8.7 HG LEU 27 - HG3 GLU 98 far 0 63 0 - 7.5-9.3 HG LEU 27 - HG3 GLU 23 far 0 93 0 - 7.6-9.1 HB3 GLU 28 - HG3 GLU 23 far 0 96 0 - 8.2-10.8 HG2 LYS 24 - HG3 GLU 98 far 0 72 0 - 8.3-12.5 HG LEU 103 - HG3 GLU 98 far 0 73 0 - 8.8-18.4 HB2 LEU 3 - HG3 GLU 98 far 0 55 0 - 9.6-11.4 Violated in 20 structures by 1.18 A. Peak 10465 from cnoeabs.peaks (1.33, 2.49, 36.23 ppm; 4.79 A): 2 out of 12 assignments used, quality = 0.60: HG2 LYS 94 + HG3 GLU 98 OK 37 71 80 65 3.5-7.2 1.8/12257=28, 12255=24...(5) QB ALA 25 + HG3 GLU 98 OK 36 71 85 60 4.4-6.1 10063/10060=39...(3) HG12 ILE 8 - HG3 GLU 63 far 0 33 0 - 5.8-8.3 QB ALA 67 - HG3 GLU 63 far 0 55 0 - 6.1-6.6 QB ALA 25 - HG3 GLU 23 far 0 99 0 - 6.4-7.5 HB2 LYS 82 - HG3 GLU 63 far 0 52 0 - 7.0-8.5 HB3 LEU 27 - HG3 GLU 23 far 0 97 0 - 7.3-9.4 HG2 ARG 30 - HG3 GLU 23 far 0 65 0 - 9.1-12.2 QB ALA 89 - HG3 GLU 63 far 0 55 0 - 9.6-12.4 QB ALA 89 - HG3 GLU 23 far 0 99 0 - 9.7-12.1 HG LEU 3 - HG3 GLU 98 far 0 48 0 - 9.8-12.1 HB3 LEU 27 - HG3 GLU 98 far 0 68 0 - 9.9-11.6 Violated in 3 structures by 0.02 A. Peak 10470 from cnoeabs.peaks (4.04, 2.27, 36.23 ppm; 3.46 A): 4 out of 13 assignments used, quality = 0.98: HA GLU 95 + HG2 GLU 95 OK 80 80 100 99 2.1-4.2 4308/1.8=59, 4.1=59...(10) HA LYS 20 + HG2 GLU 23 OK 66 97 90 76 2.0-4.9 10471/1.8=34...(7) HA GLU 17 + HG2 GLU 17 OK 48 49 100 99 2.2-3.8 3.9=67, 730/1.8=52...(14) HA GLU 16 + HG3 GLU 16 OK 48 48 100 100 2.4-4.0 689/1.8=64, 4.1=60...(23) HA GLU 17 - HG3 GLU 16 poor 9 45 20 - 3.5-6.5 HB3 SER 59 - HG2 GLU 63 far 0 57 0 - 4.9-7.8 HA GLU 16 - HG2 GLU 17 far 0 53 0 - 5.2-7.1 HA GLU 16 - HG2 GLU 23 far 0 100 0 - 6.9-9.2 HA GLU 17 - HG2 GLU 23 far 0 96 0 - 7.6-10.2 HA LYS 20 - HG3 GLU 16 far 0 45 0 - 7.8-10.3 HA LYS 20 - HG2 GLU 17 far 0 50 0 - 7.9-10.0 HB3 SER 59 - HG2 GLU 62 far 0 55 0 - 9.0-13.0 HB3 SER 59 - HG3 GLU 62 far 0 55 0 - 9.6-13.1 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 = 0.86: HA LYS 20 + HG3 GLU 23 OK 79 100 95 83 2.0-5.4 855/1042=53, 857/2.9=27...(7) HA GLU 95 + HG3 GLU 98 OK 36 51 100 71 2.0-5.0 7583/7594=26...(6) HB3 SER 59 - HG3 GLU 63 poor 10 51 20 - 4.7-7.7 HA GLU 16 - HG3 GLU 23 far 0 100 0 - 6.5-9.6 HA GLU 17 - HG3 GLU 23 far 0 100 0 - 7.5-11.1 HA LYS 66 - HG3 GLU 63 far 0 41 0 - 8.2-9.6 Violated in 1 structures by 0.01 A. Peak 10472 from cnoeabs.peaks (1.57, 4.41, 51.21 ppm; 4.60 A): 1 out of 5 assignments used, quality = 0.87: HG LEU 27 + HA ALA 25 OK 87 87 100 100 4.1-4.7 6401/3.0=70...(15) HG2 LYS 24 - HA ALA 25 far 5 98 5 - 3.6-6.8 HD3 LYS 94 - HA ALA 25 far 0 87 0 - 7.5-11.1 HB2 LEU 3 - HA ALA 25 far 0 91 0 - 7.8-9.9 HB3 LEU 29 - HA ALA 25 far 0 90 0 - 9.9-11.3 Violated in 2 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 4.8-4.9 4.8=100 HA GLU 23 + QB ALA 25 OK 79 79 100 100 5.1-5.5 3.6/8607=69...(11) HA GLU 99 - QB ALA 25 far 0 100 0 - 8.6-9.7 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 4.5-4.6 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 = 0.92: HA LEU 27 + QB ALA 25 OK 92 92 100 100 4.7-5.2 4.3/8622=80, 4.9/8627=56...(9) HA LEU 55 - QB ALA 25 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10476 from cnoeabs.peaks (8.25, 1.34, 18.52 ppm; 3.89 A): 2 out of 5 assignments used, quality = 1.00: H LEU 27 + QB ALA 25 OK 99 100 100 100 3.3-4.1 6419/6413=61...(15) H SER 97 + QB ALA 25 OK 70 73 100 96 3.8-4.7 3.0/10069=56...(11) H GLU 23 - QB ALA 25 poor 16 81 20 - 4.7-5.2 H LYS 94 - QB ALA 25 far 14 96 15 - 4.7-5.4 H PHE 96 - QB ALA 25 far 0 65 0 - 5.1-6.4 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 4.3-4.4 6409/6414=93...(11) H MET 21 - HA ASN 26 far 0 90 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10478 from cnoeabs.peaks (4.14, 4.36, 54.31 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.95: HA GLU 23 + HA ASN 26 OK 95 100 100 96 3.4-4.0 8637/6434=72...(6) HA LYS 24 - HA ASN 26 far 0 59 0 - 5.4-5.7 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 1 assignment used, quality = 0.00: HA LYS 94 - HB3 ASN 26 far 0 98 0 - 9.1-11.2 Violated in 20 structures by 4.10 A. Peak 10482 from cnoeabs.peaks (1.15, 1.46, 44.09 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.93: HB2 LEU 29 + HB2 LEU 27 OK 78 100 100 78 4.0-5.3 10498/8633=41...(7) HB3 LEU 3 + HB2 LEU 27 OK 70 100 70 100 4.8-6.3 10133/3.1=85, ~10132=66...(18) QG2 THR 31 - HB2 LEU 27 far 0 98 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10483 from cnoeabs.peaks (3.83, 1.60, 26.52 ppm; 4.91 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 22 + HG LEU 27 OK 100 100 100 100 3.5-4.4 8638/6442=79...(15) HA SER 97 + HG LEU 27 OK 98 98 100 100 3.9-5.8 8640/2.1=87...(14) HA LYS 94 - HG LEU 27 far 3 65 5 - 5.7-7.1 HA2 GLY 100 - HG LEU 27 far 0 65 0 - 7.6-10.8 HA ARG 19 - HG LEU 27 far 0 92 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 10484 from cnoeabs.peaks (1.86, 0.77, 26.59 ppm; 4.76 A): 1 out of 7 assignments used, quality = 0.86: HB VAL 5 + QD1 LEU 27 OK 86 100 100 86 4.3-5.3 ~8634=46, ~8633=45...(8) HB2 LYS 53 - QD1 LEU 27 far 0 92 0 - 6.4-7.9 HB VAL 54 - QD1 LEU 27 far 0 87 0 - 8.1-9.3 HB3 LYS 90 - QD1 LEU 27 far 0 82 0 - 8.3-10.1 HB2 ARG 19 - QD1 LEU 27 far 0 75 0 - 8.3-10.3 HB3 LEU 57 - QD1 LEU 27 far 0 63 0 - 8.8-10.3 HB2 LYS 20 - QD1 LEU 27 far 0 81 0 - 9.4-10.7 Violated in 12 structures by 0.15 A. Peak 10485 from cnoeabs.peaks (2.02, 0.77, 26.59 ppm; 5.37 A): 1 out of 8 assignments used, quality = 0.90: HG12 ILE 93 + QD1 LEU 27 OK 90 97 100 93 4.0-5.7 4.0/10140=45, ~11000=25...(13) HB3 LYS 94 - QD1 LEU 27 far 10 100 10 - 6.1-7.4 HB2 MET 21 - QD1 LEU 27 lone 5 82 40 16 5.0-7.2 8583/1222=8, 4201/1223=6 HB3 GLU 99 - QD1 LEU 27 far 5 97 5 - 6.0-8.9 HB2 GLU 99 - QD1 LEU 27 far 5 92 5 - 5.1-9.1 HB2 GLU 98 - QD1 LEU 27 far 0 91 0 - 6.4-7.3 HB3 MET 1 - QD1 LEU 27 far 0 91 0 - 6.9-10.1 HB3 GLU 98 - QD1 LEU 27 far 0 92 0 - 7.5-8.2 Violated in 2 structures by 0.02 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 4.5-5.7 3.9/10137=76, ~10132=74...(16) HA TYR 4 + QD1 LEU 27 OK 98 99 100 98 4.5-5.2 8655/1227=59...(11) HA VAL 5 + QD1 LEU 27 OK 73 79 95 97 5.0-6.6 3.0/10484=82, ~8634=48...(5) HA VAL 54 + QD1 LEU 27 OK 33 87 60 64 5.6-6.8 9220/8644=49...(4) HA ILE 7 - QD1 LEU 27 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10488 from cnoeabs.peaks (5.13, 0.73, 25.25 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 3 + QD2 LEU 27 OK 100 100 100 100 4.1-4.6 3.0/10132=88...(15) HA TYR 4 + QD2 LEU 27 OK 91 98 100 93 4.2-5.0 8655/1219=44...(11) HA VAL 54 - QD2 LEU 27 far 0 79 0 - 6.2-7.5 HA VAL 5 - QD2 LEU 27 far 0 87 0 - 6.3-7.7 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 = 0.99: H VAL 5 + HB3 GLU 28 OK 99 99 100 100 4.1-5.6 8188/1.8=78, 146/8657=72...(9) Violated in 3 structures by 0.05 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...(7) Violated in 0 structures by 0.00 A. Peak 10496 from cnoeabs.peaks (0.74, 1.16, 44.91 ppm; 4.95 A): 4 out of 15 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 29 OK 94 94 100 100 3.2-4.0 2.1/8191=85, 8667/2.9=76...(26) QG2 ILE 93 + HB2 LEU 29 OK 90 100 100 90 3.6-4.6 10322/10498=44...(11) QD1 LEU 27 + HB2 LEU 29 OK 74 87 100 85 4.7-5.8 10484/8191=44...(8) QD1 ILE 93 + HB2 LEU 29 OK 67 85 100 79 3.8-4.9 10327/8577=48...(7) HG13 ILE 93 - HB2 LEU 29 poor 17 100 30 56 4.2-7.0 10018/10498=22...(5) QD2 LEU 27 - HB2 LEU 29 far 0 96 0 - 6.1-7.3 QG1 VAL 54 - HB2 LEU 29 far 0 95 0 - 6.4-7.4 QD1 LEU 6 - HB2 LEU 29 far 0 84 0 - 7.6-8.4 QD1 ILE 56 - HB2 LEU 29 far 0 63 0 - 7.8-11.2 QD2 LEU 14 - HB2 LEU 29 far 0 65 0 - 8.8-9.6 HG13 ILE 15 - HB2 LEU 29 far 0 99 0 - 8.8-10.4 HG13 ILE 56 - HB2 LEU 29 far 0 77 0 - 9.0-12.8 QD1 ILE 15 - HB2 LEU 29 far 0 96 0 - 9.1-10.1 QD1 ILE 8 - HB2 LEU 29 far 0 68 0 - 9.4-11.5 QG1 VAL 78 - HB2 LEU 29 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 10497 from cnoeabs.peaks (0.74, 1.60, 44.91 ppm; 5.05 A): 3 out of 13 assignments used, quality = 1.00: QG1 VAL 5 + HB3 LEU 29 OK 94 94 100 100 4.5-5.4 8667/2.9=78, ~8191=67...(25) QG2 ILE 93 + HB3 LEU 29 OK 91 100 100 91 4.6-5.9 11002/8571=49, 11000=35...(10) QD1 ILE 93 + HB3 LEU 29 OK 73 85 100 85 4.7-5.7 11004/8571=39...(8) HG13 ILE 93 - HB3 LEU 29 far 15 100 15 - 5.6-8.5 QD1 LEU 27 - HB3 LEU 29 far 13 87 15 - 5.8-7.3 QD2 LEU 27 - HB3 LEU 29 far 0 96 0 - 7.1-8.0 QG1 VAL 54 - HB3 LEU 29 far 0 95 0 - 7.4-8.3 QD1 LEU 6 - HB3 LEU 29 far 0 84 0 - 8.2-8.8 HG13 ILE 15 - HB3 LEU 29 far 0 99 0 - 8.3-10.2 QD1 ILE 15 - HB3 LEU 29 far 0 96 0 - 8.5-9.6 QD2 LEU 14 - HB3 LEU 29 far 0 65 0 - 8.7-9.8 QD1 ILE 56 - HB3 LEU 29 far 0 63 0 - 8.8-12.3 QD1 ILE 8 - HB3 LEU 29 far 0 68 0 - 10.0-11.9 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 2.9-4.2 2.1/8191=97...(30) HG LEU 55 - HB2 LEU 29 far 0 84 0 - 7.3-9.2 QG2 VAL 83 - HB2 LEU 29 far 0 85 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10499 from cnoeabs.peaks (1.74, 0.65, 26.64 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.96: HG3 ARG 19 + QD1 LEU 29 OK 96 96 100 100 3.1-5.3 8673/2.1=85, 1.8/8518=41...(25) HD2 LYS 90 - QD1 LEU 29 far 5 100 5 - 5.5-8.7 HB ILE 15 - QD1 LEU 29 far 0 96 0 - 6.1-7.1 HB2 GLU 28 - QD1 LEU 29 far 0 100 0 - 6.8-7.7 HB ILE 56 - QD1 LEU 29 far 0 93 0 - 8.5-9.5 Violated in 3 structures by 0.05 A. Peak 10500 from cnoeabs.peaks (0.94, 0.65, 26.64 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 5 + QD1 LEU 29 OK 100 100 100 100 3.0-4.0 2.1/8671=71...(24) HG LEU 55 - QD1 LEU 29 far 0 90 0 - 5.4-6.8 QG2 VAL 83 - QD1 LEU 29 far 0 91 0 - 6.5-7.3 QG1 VAL 32 - QD1 LEU 29 far 0 65 0 - 8.2-9.0 QG2 THR 80 - QD1 LEU 29 far 0 61 0 - 8.6-9.8 HB2 ARG 81 - QD1 LEU 29 far 0 99 0 - 8.9-11.7 Violated in 1 structures by 0.00 A. Peak 10501 from cnoeabs.peaks (0.80, 0.64, 24.70 ppm; 3.03 A): 2 out of 13 assignments used, quality = 0.99: QG2 ILE 7 + QD2 LEU 29 OK 94 100 100 94 2.6-3.7 8282/8731=33, 255=33...(23) QG2 ILE 15 + QD2 LEU 29 OK 82 97 100 85 2.5-3.6 10123/8731=34...(20) QD1 ILE 93 - QD2 LEU 29 far 0 84 0 - 4.1-5.0 QD2 LEU 57 - QD2 LEU 29 far 0 100 0 - 5.1-7.1 QD1 ILE 15 - QD2 LEU 29 far 0 65 0 - 5.3-6.1 QG2 VAL 32 - QD2 LEU 29 far 0 65 0 - 5.7-6.5 QG1 VAL 54 - QD2 LEU 29 far 0 70 0 - 6.1-7.4 QD1 LEU 6 - QD2 LEU 29 far 0 85 0 - 6.3-7.0 QD1 LEU 27 - QD2 LEU 29 far 0 82 0 - 6.4-7.3 QD1 LEU 57 - QD2 LEU 29 far 0 73 0 - 6.7-7.9 QD2 LEU 38 - QD2 LEU 29 far 0 82 0 - 7.1-10.3 QG2 ILE 8 - QD2 LEU 29 far 0 99 0 - 7.7-8.7 QD2 LEU 42 - QD2 LEU 29 far 0 79 0 - 9.2-10.8 Violated in 1 structures by 0.00 A. Peak 10502 from cnoeabs.peaks (3.81, 1.44, 27.00 ppm; 5.13 A): 2 out of 10 assignments used, quality = 1.00: HA ARG 19 + HG LEU 29 OK 100 100 100 100 3.9-5.0 8685/2.1=95, ~8693=57...(22) HA ALA 71 + HG13 ILE 76 OK 33 51 65 99 4.0-6.9 9648/3.0=63, ~10834=58...(17) HA ALA 71 - HG LEU 38 far 0 42 0 - 6.2-9.7 HA ALA 18 - HG LEU 29 far 0 68 0 - 6.3-7.1 HA ALA 22 - HG LEU 29 far 0 96 0 - 6.5-8.2 HA LYS 68 - HG LEU 38 far 0 73 0 - 6.5-11.0 HA ALA 18 - HG3 ARG 91 far 0 44 0 - 8.0-11.6 HB3 SER 102 - HG3 ARG 91 far 0 76 0 - 8.7-20.5 HA LYS 68 - HG13 ILE 76 far 0 84 0 - 9.8-12.4 HA ALA 71 - HG13 ILE 52 far 0 38 0 - 9.9-12.3 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 = 0.97: H GLU 23 + QD1 LEU 29 OK 97 98 100 100 4.5-6.1 10458/3.1=86...(9) H LYS 94 - QD1 LEU 29 poor 16 85 60 31 6.5-7.4 8536/10445=24, 10370/10500=8 Violated in 1 structures by 0.00 A. Peak 10504 from cnoeabs.peaks (8.65, 0.65, 26.64 ppm; 5.72 A): 2 out of 3 assignments used, quality = 1.00: H ALA 18 + QD1 LEU 29 OK 100 100 100 100 4.0-4.8 2.9/8672=100...(16) H LEU 55 + QD1 LEU 29 OK 55 97 65 87 6.1-7.1 12108/10500=63...(4) H ASP 11 - QD1 LEU 29 far 0 88 0 - 9.7-10.5 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 GLU 28 - HD2 ARG 30 far 0 100 0 - 6.2-10.5 H TYR 41 - HD2 ARG 30 far 0 77 0 - 6.9-9.3 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 GLU 28 - HD3 ARG 30 far 0 100 0 - 7.0-10.3 H TYR 41 - HD3 ARG 30 far 0 77 0 - 7.2-9.6 Violated in 0 structures by 0.00 A. Peak 10508 from cnoeabs.peaks (7.81, 1.29, 26.44 ppm; 5.39 A): 1 out of 4 assignments used, quality = 0.88: HE ARG 30 + HG2 ARG 30 OK 88 88 100 100 2.2-3.6 4.0=100 H TYR 41 - HG2 ARG 30 far 0 99 0 - 6.7-9.1 H GLU 28 - HG2 ARG 30 far 0 97 0 - 7.0-9.9 H LEU 3 - HG2 ARG 30 far 0 73 0 - 9.9-13.3 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 = 0.74: H TYR 41 + HB2 ARG 30 OK 74 100 85 87 6.5-7.5 6.6/8906=49...(4) H GLU 28 - HB2 ARG 30 far 0 73 0 - 8.5-9.9 H SER 9 - HB2 ARG 30 far 0 93 0 - 9.6-10.5 Violated in 20 structures by 0.70 A. Peak 10511 from cnoeabs.peaks (2.06, 1.29, 26.44 ppm; 5.82 A): 2 out of 4 assignments used, quality = 0.77: HG2 GLU 28 + HG2 ARG 30 OK 56 100 90 62 3.8-8.3 5.0/8665=52...(4) HG3 GLU 28 + HG2 ARG 30 OK 49 100 80 61 4.1-8.0 5.0/8665=52...(3) HB3 LEU 38 - HG2 ARG 30 far 0 99 0 - 9.7-12.1 HB3 GLU 43 - HG2 ARG 30 far 0 100 0 - 10.0-13.2 Violated in 4 structures by 0.14 A. Peak 10515 from cnoeabs.peaks (7.81, 1.14, 22.10 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: H SER 9 + QG2 THR 31 OK 100 100 100 100 4.2-5.2 8314=100, 8337/2.1=75...(9) HE ARG 30 - QG2 THR 31 poor 18 88 20 - 5.2-8.6 H LYS 20 - QG2 THR 31 far 0 92 0 - 7.1-8.4 H TYR 41 - QG2 THR 31 far 0 99 0 - 9.6-10.3 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 24 assignments used, quality = 1.00: QD1 ILE 8 + HB VAL 32 OK 100 100 100 100 2.4-3.4 12200=100, 2.1/12204=77...(20) QD2 LEU 6 + HB VAL 32 OK 61 79 80 97 3.6-5.5 ~10159=48, ~10337=38...(18) QD1 ILE 56 - HB VAL 32 far 10 99 10 - 4.6-7.7 QG1 VAL 58 - HB VAL 32 far 5 100 5 - 4.9-5.9 HG13 ILE 56 - HB VAL 32 far 0 100 0 - 5.5-8.6 QD1 ILE 8 - HB2 LYS 33 far 0 70 0 - 5.9-8.8 QD1 ILE 8 - HB3 LYS 33 far 0 65 0 - 6.1-8.7 QD1 LEU 42 - HB VAL 32 far 0 82 0 - 7.1-8.2 HG13 ILE 15 - HB VAL 32 far 0 59 0 - 7.1-9.1 QG1 VAL 5 - HB VAL 32 far 0 99 0 - 7.1-8.2 QG2 VAL 58 - HB VAL 32 far 0 57 0 - 7.4-8.3 QD2 LEU 14 - HB VAL 32 far 0 100 0 - 7.6-9.1 QD2 LEU 6 - HB3 LYS 33 far 0 45 0 - 7.9-10.5 QG1 VAL 58 - HB2 LYS 33 far 0 70 0 - 8.1-10.8 QG1 VAL 78 - HB VAL 32 far 0 77 0 - 8.1-10.5 QG2 VAL 78 - HB VAL 32 far 0 100 0 - 8.2-10.6 QD2 LEU 6 - HB2 LYS 33 far 0 49 0 - 8.2-10.6 QG1 VAL 58 - HB3 LYS 33 far 0 65 0 - 8.5-10.8 HG13 ILE 15 - HB3 LYS 33 far 0 32 0 - 8.7-11.6 HG13 ILE 15 - HB2 LYS 33 far 0 35 0 - 8.8-11.4 QD2 LEU 14 - HB2 LYS 33 far 0 69 0 - 9.3-11.7 QD1 LEU 64 - HB VAL 32 far 0 84 0 - 9.5-10.5 QD2 LEU 14 - HB3 LYS 33 far 0 64 0 - 9.7-12.0 QD1 LEU 14 - HB VAL 32 far 0 61 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10519 from cnoeabs.peaks (0.91, 4.53, 56.85 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 32 + HA LYS 33 OK 100 100 100 100 3.4-3.9 6517/3.0=74, 8749/3.6=71...(13) HG13 ILE 8 - HA LYS 33 poor 12 91 45 30 3.8-7.1 6510/11114=12...(3) HG13 ILE 7 - HA LYS 33 far 0 96 0 - 7.8-9.1 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 99 100 100 100 3.4-4.2 8755=78, 6542/6534=56...(11) QG2 THR 31 - HG2 LYS 33 far 0 82 0 - 5.6-6.7 HB2 LEU 6 - HG2 LYS 33 far 0 98 0 - 8.7-11.1 HG2 LYS 40 - HG2 LYS 33 far 0 99 0 - 9.8-11.6 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 2.9-3.5 8794=97, 8782/2.1=58...(8) Violated in 0 structures by 0.00 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 4.2-4.9 6565/8794=90...(8) Violated in 0 structures by 0.00 A. Peak 10526 from cnoeabs.peaks (0.81, 2.19, 36.31 ppm; 3.34 A): 4 out of 27 assignments used, quality = 0.98: QD1 LEU 70 + HG3 GLU 35 OK 70 96 85 86 1.9-4.9 9548=18, 9549/2.9=18...(23) QD1 LEU 70 + HG2 GLU 35 OK 68 96 85 83 1.9-4.5 9548=18, 9549/2.9=18...(23) QD2 LEU 70 + HG2 GLU 35 OK 54 96 70 80 2.7-5.8 2.1/9548=17...(21) QD2 LEU 70 + HG3 GLU 35 OK 48 96 60 82 2.2-5.4 2.1/9548=17...(23) QD1 ILE 76 - HG2 GLU 43 poor 20 99 20 - 3.4-5.8 QD2 LEU 38 - HG3 GLU 35 poor 15 94 30 53 2.2-7.5 3.1/12063=14...(12) QD2 LEU 38 - HG2 GLU 35 far 14 94 15 - 2.6-8.1 QD1 ILE 76 - HG3 GLU 75 far 0 46 0 - 5.9-7.6 QD1 ILE 76 - HG2 GLU 75 far 0 44 0 - 6.3-7.4 QD1 LEU 70 - HG2 GLU 43 far 0 100 0 - 6.4-8.8 QD2 LEU 70 - HG2 GLU 43 far 0 100 0 - 6.5-9.6 QG2 ILE 8 - HG2 GLU 35 far 0 79 0 - 6.7-9.1 QG2 VAL 32 - HG2 GLU 35 far 0 86 0 - 6.9-9.1 QG2 VAL 32 - HG3 GLU 35 far 0 86 0 - 7.0-8.3 QG2 ILE 8 - HG3 GLU 35 far 0 79 0 - 7.1-9.1 QD1 ILE 76 - HG3 GLU 35 far 0 94 0 - 8.2-11.9 QD2 LEU 103 - HG2 GLU 98 far 0 38 0 - 8.2-16.2 QD2 LEU 70 - HG3 GLU 75 far 0 49 0 - 8.4-10.4 QD1 LEU 70 - HG3 GLU 75 far 0 49 0 - 8.5-12.1 QD2 LEU 70 - HG2 GLU 75 far 0 46 0 - 8.5-11.0 QD2 LEU 38 - HG2 GLU 43 far 0 99 0 - 8.6-9.6 QG2 VAL 32 - HG2 GLU 43 far 0 92 0 - 8.6-10.0 QG2 ILE 52 - HG2 GLU 75 far 0 27 0 - 8.7-10.7 QG2 ILE 52 - HG2 GLU 43 far 0 71 0 - 9.0-11.0 QD1 ILE 76 - HG2 GLU 35 far 0 94 0 - 9.0-12.0 QG2 ILE 52 - HG3 GLU 75 far 0 29 0 - 9.3-10.7 QD1 LEU 70 - HG2 GLU 75 far 0 46 0 - 9.3-12.4 Violated in 3 structures by 0.02 A. Peak 10527 from cnoeabs.peaks (0.80, 2.08, 29.38 ppm; 4.01 A): 4 out of 24 assignments used, quality = 0.99: QD1 LEU 70 + HB3 GLU 35 OK 89 94 100 95 1.9-4.5 9549/1.8=30...(20) QD2 LEU 70 + HB3 GLU 35 OK 80 99 85 96 2.4-6.1 10278=33, 9541/3.0=25...(23) QG2 ILE 15 + HB2 GLU 16 OK 38 89 45 96 4.0-5.4 8530/3.0=61, 660/6237=58...(10) QD2 LEU 38 + HB3 GLU 35 OK 27 85 35 90 2.8-6.3 ~10168=21, 3.1/10462=19...(24) QD1 ILE 76 - HB3 GLU 43 far 4 85 5 - 4.8-5.9 QG2 ILE 8 - HB3 GLU 35 far 0 99 0 - 5.4-7.7 QD1 ILE 15 - HB2 GLU 16 far 0 52 0 - 5.5-7.2 QD2 LEU 42 - HB3 GLU 43 far 0 57 0 - 6.7-7.0 QG2 ILE 7 - HB2 GLU 16 far 0 93 0 - 6.9-8.2 QD1 LEU 6 - HB3 GLU 43 far 0 64 0 - 7.0-8.2 QG2 VAL 32 - HB3 GLU 35 far 0 70 0 - 7.1-7.7 QD1 LEU 27 - HB2 GLU 23 far 0 63 0 - 7.8-9.1 QD1 ILE 93 - HB2 GLU 16 far 0 70 0 - 7.9-9.4 QD1 LEU 6 - HB3 GLU 35 far 0 82 0 - 8.0-9.2 QD2 LEU 70 - HB3 GLU 43 far 0 82 0 - 8.2-11.0 QD1 LEU 70 - HB3 GLU 43 far 0 75 0 - 8.2-10.2 QD1 ILE 93 - HB2 GLU 23 far 0 65 0 - 8.3-9.6 QD2 LEU 42 - HB3 GLU 35 far 0 75 0 - 8.3-10.3 QG1 VAL 54 - HB3 GLU 43 far 0 49 0 - 8.5-9.7 QG2 VAL 32 - HB3 GLU 43 far 0 53 0 - 8.7-9.6 QG2 ILE 52 - HB3 GLU 43 far 0 74 0 - 8.8-10.3 QD2 LEU 38 - HB3 GLU 43 far 0 67 0 - 9.1-10.3 QD1 ILE 76 - HB3 GLU 35 far 0 100 0 - 9.2-12.1 QG2 ILE 15 - HB2 GLU 23 far 0 84 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10528 from cnoeabs.peaks (2.88, 2.20, 36.41 ppm; 3.98 A): 4 out of 14 assignments used, quality = 0.83: HE3 LYS 39 + HG3 GLU 35 OK 39 100 45 86 2.8-8.8 3.5/10532=50...(15) HE2 LYS 39 + HG3 GLU 35 OK 38 98 45 86 2.2-10.2 3.5/10532=50...(14) HE2 LYS 39 + HG2 GLU 35 OK 36 98 50 74 2.1-9.1 ~10533=19, 3.0/10533=16...(14) HE3 LYS 39 + HG2 GLU 35 OK 30 100 40 75 2.8-7.9 ~10533=19, 3.0/10533=16...(15) HE3 LYS 39 - HG2 GLU 43 far 14 96 15 - 3.6-8.0 HE2 LYS 66 - HG2 GLU 35 far 10 99 10 - 4.7-10.5 HE2 LYS 39 - HG2 GLU 43 far 9 92 10 - 4.6-8.0 HE2 LYS 66 - HG3 GLU 35 far 0 99 0 - 5.1-9.9 HE3 LYS 66 - HG2 GLU 35 far 0 95 0 - 5.2-10.2 HE3 LYS 66 - HG3 GLU 35 far 0 95 0 - 5.9-9.7 HE2 LYS 39 - HG3 GLU 75 far 0 49 0 - 8.6-14.6 HE2 LYS 39 - HG2 GLU 75 far 0 45 0 - 8.7-13.7 HE3 LYS 39 - HG3 GLU 75 far 0 52 0 - 8.7-14.7 HE3 LYS 39 - HG2 GLU 75 far 0 48 0 - 9.5-14.1 Violated in 10 structures by 0.55 A. Peak 10529 from cnoeabs.peaks (2.92, 2.12, 29.31 ppm; 5.11 A): 4 out of 12 assignments used, quality = 0.75: HE2 LYS 66 + HB2 GLU 69 OK 34 77 55 80 4.9-7.0 6.1/3102=37...(12) HE3 LYS 66 + HB2 GLU 69 OK 31 86 45 80 3.8-7.7 6.1/3094=37...(12) HE2 LYS 68 + HB2 GLU 69 OK 28 95 35 84 4.9-9.7 3.6/10801=27...(14) HE2 LYS 68 + HB3 GLU 69 OK 23 95 30 81 4.7-10.0 12281/3.0=27...(11) HE3 LYS 73 - HB2 GLU 69 far 13 87 15 - 4.0-9.1 HE3 LYS 66 - HB3 GLU 69 far 13 86 15 - 4.7-8.6 HE2 LYS 73 - HB3 GLU 69 poor 11 80 55 24 3.6-7.7 10818/10816=11...(4) HE3 LYS 68 - HB2 GLU 69 far 9 94 10 - 5.2-9.8 HE3 LYS 73 - HB3 GLU 69 poor 8 87 40 24 3.1-8.2 10818/10816=11...(4) HE2 LYS 66 - HB3 GLU 69 far 8 77 10 - 5.8-8.2 HE2 LYS 73 - HB2 GLU 69 poor 6 80 35 22 5.0-8.0 10818/10816=11...(4) HE3 LYS 68 - HB3 GLU 69 far 5 94 5 - 5.3-10.0 Violated in 5 structures by 0.11 A. Peak 10530 from cnoeabs.peaks (2.91, 2.07, 29.31 ppm; 4.93 A): 2 out of 24 assignments used, quality = 0.89: HE2 LYS 20 + HB2 GLU 16 OK 68 98 80 86 2.5-7.1 3.0/12146=34...(19) HE3 LYS 20 + HB2 GLU 16 OK 67 98 80 86 2.0-7.7 3.0/12146=34...(18) HE3 LYS 39 - HB3 GLU 35 poor 19 70 40 70 3.3-9.5 ~10533=22, ~12309=17...(11) HE3 LYS 66 - HB3 GLU 35 poor 17 97 25 71 3.7-8.6 ~12289=39, 3.6/12158=25...(6) HE2 LYS 66 - HB3 GLU 35 poor 17 94 25 71 3.1-9.4 ~12289=39, 3.6/12158=25...(6) HE2 LYS 39 - HB3 GLU 35 poor 14 58 35 71 3.6-10.5 ~10533=22, ~12309=17...(11) HE2 LYS 20 - HB2 GLU 23 far 9 88 10 - 5.7-10.2 HE3 LYS 20 - HB2 GLU 23 far 4 88 5 - 4.8-9.8 HE3 LYS 39 - HB3 GLU 43 far 3 68 5 - 5.8-10.7 HE2 LYS 94 - HB2 GLU 98 far 0 57 0 - 5.9-8.7 HE3 LYS 94 - HB2 GLU 98 far 0 60 0 - 5.9-9.9 HE2 LYS 39 - HB3 GLU 43 far 0 56 0 - 6.7-10.0 HE3 LYS 94 - HB3 GLU 98 far 0 57 0 - 6.8-10.8 HE2 LYS 94 - HB3 GLU 98 far 0 54 0 - 6.8-9.6 HE3 LYS 90 - HB2 GLU 16 far 0 78 0 - 7.2-12.2 HE3 LYS 73 - HB3 GLU 35 far 0 60 0 - 7.6-14.3 HG2 MET 21 - HB2 GLU 23 far 0 60 0 - 7.8-10.1 HG2 MET 21 - HB2 GLU 16 far 0 71 0 - 8.5-11.6 HB2 ASN 60 - HB3 GLU 35 far 0 91 0 - 8.6-12.8 HE2 LYS 94 - HB2 GLU 99 far 0 53 0 - 8.9-13.4 HE3 LYS 94 - HB2 GLU 99 far 0 56 0 - 8.9-14.6 HB2 ASN 51 - HB2 GLU 99 far 0 29 0 - 9.6-13.2 HE2 LYS 94 - HB2 GLU 23 far 0 85 0 - 9.8-16.4 HG2 MET 21 - HB2 GLU 98 far 0 38 0 - 9.9-13.0 Violated in 4 structures by 0.17 A. Peak 10531 from cnoeabs.peaks (1.33, 2.19, 36.31 ppm; 4.45 A): 2 out of 21 assignments used, quality = 0.89: HG2 LYS 39 + HG2 GLU 43 OK 73 96 80 95 3.4-6.6 3.0/12308=62, ~10574=45...(10) HB3 LEU 42 + HG2 GLU 43 OK 60 84 80 90 4.1-5.6 4.6/6695=52...(9) HG2 LYS 39 - HG3 GLU 35 far 14 90 15 - 3.6-9.7 HG3 LYS 40 - HG2 GLU 43 far 12 77 15 - 4.5-7.6 HG2 LYS 94 - HG2 GLU 98 poor 10 40 25 - 4.2-8.3 HG2 LYS 39 - HG2 GLU 35 far 9 90 10 - 4.5-8.6 QB ALA 25 - HG2 GLU 98 far 6 40 15 - 4.9-6.5 QB ALA 67 - HG2 GLU 35 far 5 95 5 - 4.8-9.2 QB ALA 67 - HG3 GLU 35 far 0 95 0 - 6.3-8.7 HG12 ILE 8 - HG2 GLU 35 far 0 64 0 - 8.1-11.6 HB3 LEU 42 - HG3 GLU 75 far 0 35 0 - 8.3-10.8 HB3 LEU 42 - HG3 GLU 35 far 0 78 0 - 8.5-12.8 HG12 ILE 8 - HG3 GLU 35 far 0 64 0 - 8.6-11.1 HB3 LEU 42 - HG2 GLU 75 far 0 33 0 - 8.7-10.7 HG2 LYS 39 - HG3 GLU 75 far 0 43 0 - 9.2-12.1 HG3 LYS 40 - HG2 GLU 35 far 0 71 0 - 9.4-12.0 HG3 LYS 40 - HG3 GLU 35 far 0 71 0 - 9.5-11.4 HB3 LEU 42 - HG2 GLU 35 far 0 78 0 - 9.5-12.0 HG2 LYS 39 - HG2 GLU 75 far 0 41 0 - 9.6-12.7 HG3 LYS 68 - HG2 GLU 35 far 0 86 0 - 9.7-14.6 HG LEU 3 - HG2 GLU 98 far 0 27 0 - 10.0-12.4 Violated in 5 structures by 0.13 A. Peak 10532 from cnoeabs.peaks (1.45, 2.19, 36.31 ppm; 3.88 A): 1 out of 25 assignments used, quality = 0.38: HG3 LYS 39 + HG3 GLU 35 OK 38 94 45 91 2.4-8.3 3.0/10533=28, 10575=22...(18) HG LEU 38 - HG3 GLU 35 poor 19 96 20 - 3.4-7.8 HG3 LYS 39 - HG2 GLU 35 poor 19 94 20 - 3.2-7.5 HB2 LEU 38 - HG3 GLU 35 far 14 96 15 - 3.8-7.7 HG LEU 38 - HG2 GLU 35 far 14 96 15 - 4.3-8.1 HG3 LYS 39 - HG2 GLU 43 far 5 99 5 - 3.9-7.1 HB2 LEU 38 - HG2 GLU 35 far 5 96 5 - 3.8-8.8 HG2 LYS 66 - HG3 GLU 35 far 3 54 5 - 4.7-9.3 HG2 LYS 66 - HG2 GLU 35 far 0 54 0 - 5.1-10.3 HG13 ILE 76 - HG3 GLU 75 far 0 43 0 - 5.2-7.0 HG13 ILE 76 - HG2 GLU 75 far 0 41 0 - 5.7-7.6 HG13 ILE 76 - HG2 GLU 43 far 0 96 0 - 6.0-8.8 HD2 LYS 40 - HG2 GLU 43 far 0 98 0 - 6.8-9.4 HD3 LYS 40 - HG2 GLU 43 far 0 98 0 - 7.0-9.0 HG2 LYS 47 - HG2 GLU 43 far 0 59 0 - 7.1-12.1 HG LEU 38 - HG2 GLU 43 far 0 100 0 - 8.0-10.7 HB2 LEU 38 - HG2 GLU 43 far 0 100 0 - 8.3-9.9 HD3 LYS 40 - HG2 GLU 35 far 0 92 0 - 8.7-13.0 HD2 LYS 40 - HG3 GLU 35 far 0 93 0 - 9.0-12.4 HD3 LYS 40 - HG3 GLU 35 far 0 92 0 - 9.0-11.7 HD2 LYS 40 - HG2 GLU 35 far 0 93 0 - 9.0-12.5 HG3 LYS 39 - HG3 GLU 75 far 0 46 0 - 9.3-12.8 QB ALA 22 - HG2 GLU 98 far 0 37 0 - 9.5-11.3 HB2 LEU 27 - HG2 GLU 98 far 0 42 0 - 9.6-11.6 HG3 ARG 91 - HG2 GLU 98 far 0 42 0 - 9.9-14.4 Violated in 18 structures by 1.30 A. Peak 10533 from cnoeabs.peaks (1.64, 2.19, 36.31 ppm; 4.01 A): 2 out of 31 assignments used, quality = 0.58: HD2 LYS 39 + HG3 GLU 35 OK 44 93 50 94 4.1-7.9 3.0/10532=62, 10578=21...(17) HD2 LYS 39 + HG2 GLU 35 OK 25 93 30 90 3.5-7.9 ~10532=40, 10578/1.8=18...(18) HD3 LYS 39 - HG2 GLU 43 poor 20 100 25 78 4.3-7.1 ~10574=29, 3.0/10531=29...(9) HD3 LYS 39 - HG2 GLU 35 poor 19 97 20 - 3.6-8.3 HD3 LYS 39 - HG3 GLU 35 far 15 97 15 - 3.6-9.6 HB2 LYS 40 - HG2 GLU 43 far 0 100 0 - 5.2-7.1 HD2 LYS 39 - HG2 GLU 43 far 0 98 0 - 5.2-7.4 HD2 LYS 73 - HG3 GLU 75 far 0 36 0 - 5.6-9.6 HD3 LYS 73 - HG3 GLU 35 far 0 82 0 - 5.6-13.0 HD2 LYS 73 - HG2 GLU 75 far 0 34 0 - 5.8-9.7 HD3 LYS 73 - HG3 GLU 75 far 0 38 0 - 5.9-9.8 HD3 LYS 73 - HG2 GLU 75 far 0 36 0 - 6.3-10.4 HD2 LYS 94 - HG2 GLU 98 far 0 36 0 - 6.3-8.9 HD2 LYS 73 - HG3 GLU 35 far 0 79 0 - 6.5-13.8 HB ILE 76 - HG2 GLU 43 far 0 100 0 - 6.9-9.7 HB ILE 76 - HG3 GLU 75 far 0 49 0 - 7.0-8.0 HD3 LYS 73 - HG2 GLU 35 far 0 82 0 - 7.2-12.5 HB2 LYS 40 - HG2 GLU 35 far 0 96 0 - 7.2-9.8 HB ILE 76 - HG2 GLU 75 far 0 46 0 - 7.2-7.9 HB2 LYS 40 - HG3 GLU 35 far 0 96 0 - 7.3-9.4 HD2 LYS 73 - HG2 GLU 43 far 0 85 0 - 7.4-13.3 HG3 LYS 47 - HG2 GLU 43 far 0 92 0 - 7.7-10.4 HD2 LYS 47 - HG2 GLU 43 far 0 61 0 - 7.7-11.7 HD2 LYS 73 - HG2 GLU 35 far 0 79 0 - 7.9-12.7 HD3 LYS 47 - HG2 GLU 43 far 0 59 0 - 7.9-11.0 HD3 LYS 73 - HG2 GLU 43 far 0 88 0 - 8.1-14.4 HG2 LYS 68 - HG2 GLU 35 far 0 97 0 - 8.7-14.6 HD2 LYS 39 - HG3 GLU 75 far 0 46 0 - 9.0-14.0 HD3 LYS 39 - HG3 GLU 75 far 0 49 0 - 9.3-13.2 HD2 LYS 39 - HG2 GLU 75 far 0 43 0 - 9.6-14.8 HB3 LEU 6 - HG3 GLU 35 far 0 96 0 - 9.7-13.6 Violated in 15 structures by 0.75 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: HG3 GLU 35 + HA ASP 36 OK 99 100 100 100 3.0-5.3 2.9/10536=58, ~6558=39...(23) HG2 GLU 35 + HA ASP 36 OK 99 100 100 99 3.2-4.8 2.9/10536=58...(21) HG2 GLU 43 - HA ASP 36 far 0 100 0 - 7.3-8.9 HB2 GLU 63 - HA ASP 65 far 0 47 0 - 7.8-8.2 HB2 GLN 72 - HA ASP 65 far 0 33 0 - 8.8-10.6 HG2 GLU 35 - HA ASP 65 far 0 47 0 - 9.2-13.9 HG3 GLU 35 - HA ASP 65 far 0 47 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (2.11, 4.29, 56.96 ppm; 4.38 A): 4 out of 10 assignments used, quality = 0.90: HG3 GLU 37 + HA ASP 36 OK 55 100 60 92 5.1-5.5 1608/3.6=62...(6) HB2 LEU 64 + HA ASP 65 OK 47 47 100 100 4.6-4.8 7049/3.0=84, ~2825=46...(24) HB3 GLU 35 + HA ASP 36 OK 41 82 50 99 4.9-5.7 1.8/10536=64, ~6558=52...(18) HG2 GLU 69 + HA ASP 65 OK 32 40 100 79 3.3-4.7 3110/7118=42...(11) HB2 GLU 69 - HA ASP 65 poor 15 40 50 74 4.7-6.6 4.0/7118=41...(9) HB3 LEU 38 - HA ASP 36 far 3 68 5 - 5.1-7.1 HB3 GLU 69 - HA ASP 65 far 0 40 0 - 6.0-7.3 HB3 GLU 37 - HA ASP 36 far 0 94 0 - 6.6-6.6 HB3 GLU 62 - HA ASP 65 far 0 40 0 - 7.7-8.3 HB3 GLU 35 - HA ASP 65 far 0 33 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 10536 from cnoeabs.peaks (2.01, 4.29, 56.96 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 35 + HA ASP 36 OK 100 100 100 100 4.3-5.5 6558/3.0=90, ~6559=38...(20) HB2 GLU 37 - HA ASP 36 poor 16 79 20 - 5.7-6.1 QE MET 74 - HA ASP 36 far 0 100 0 - 6.2-7.4 HB2 GLU 62 - HA ASP 65 far 0 46 0 - 7.6-8.4 HB2 GLU 35 - HA ASP 65 far 0 48 0 - 9.4-13.8 Violated in 11 structures by 0.27 A. Peak 10537 from cnoeabs.peaks (1.80, 4.29, 56.96 ppm; 3.68 A): 1 out of 7 assignments used, quality = 0.99: HB2 LYS 39 + HA ASP 36 OK 99 100 100 99 2.6-3.9 10560=78, 6604/8949=45...(15) HB2 LYS 68 - HA ASP 65 poor 12 26 45 - 3.1-4.7 HB2 LYS 66 - HA ASP 65 far 0 24 0 - 6.5-6.6 HB3 GLU 63 - HA ASP 65 far 0 35 0 - 7.4-7.9 HB2 LYS 66 - HA ASP 36 far 0 63 0 - 7.5-10.4 HB2 LEU 42 - HA ASP 36 far 0 100 0 - 7.5-8.5 HB3 LYS 82 - HA ASP 65 far 0 22 0 - 8.1-9.8 Violated in 4 structures by 0.04 A. Peak 10539 from cnoeabs.peaks (3.89, 2.50, 40.10 ppm; 4.73 A): 3 out of 15 assignments used, quality = 0.99: HB2 SER 85 + HB2 ASP 87 OK 94 97 100 97 3.1-5.5 8599/4.6=54, 9846/4.0=53...(11) HB2 SER 85 + HB3 ASP 87 OK 65 97 70 96 3.5-5.8 8599/4.6=54, 9846/4.0=53...(10) HA GLU 35 + HB3 ASP 36 OK 37 95 40 98 5.6-6.6 3.6/6563=43, ~10536=34...(16) HA GLU 35 - HB2 ASP 36 far 14 96 15 - 5.5-6.1 HA LYS 40 - HB3 ASP 36 far 0 79 0 - 6.1-8.0 HA ARG 91 - HB3 ASP 87 far 0 100 0 - 6.3-7.7 HA ARG 91 - HB2 ASP 87 far 0 100 0 - 6.4-8.6 HA LYS 40 - HB2 ASP 36 far 0 80 0 - 7.0-8.2 HA ALA 89 - HB3 ASP 87 far 0 98 0 - 7.5-8.8 HA GLU 63 - HB2 ASP 61 far 0 55 0 - 7.5-8.5 HA LEU 38 - HB3 ASP 36 far 0 89 0 - 7.5-8.8 HA LEU 38 - HB2 ASP 36 far 0 90 0 - 7.5-8.8 HA ALA 89 - HB2 ASP 87 far 0 98 0 - 7.6-8.4 HA TYR 41 - HB3 ASP 36 far 0 54 0 - 9.3-11.5 HA TYR 41 - HB2 ASP 36 far 0 55 0 - 9.7-11.6 Violated in 1 structures by 0.01 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 3.6-4.5 8863=97, 6620/10537=68...(7) Violated in 2 structures by 0.00 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 4.5-4.9 8940=94, 6576/3.6=86...(12) Violated in 0 structures by 0.00 A. Peak 10543 from cnoeabs.peaks (3.87, 3.71, 58.70 ppm; 3.94 A): 0 out of 8 assignments used, quality = 0.00: HA LEU 38 - HA GLU 37 poor 20 100 20 - 4.8-4.9 HA LYS 40 - HA GLU 37 far 10 100 10 - 4.8-5.6 HA GLU 35 - HA GLU 37 far 0 95 0 - 6.3-6.5 HA LYS 12 - HA LEU 14 far 0 40 0 - 6.3-6.5 HA ALA 89 - HA LEU 14 far 0 28 0 - 7.2-8.4 HB2 SER 85 - HA LEU 14 far 0 26 0 - 7.5-9.3 HA ALA 67 - HA GLU 37 far 0 96 0 - 9.5-11.5 HA GLU 43 - HA GLU 37 far 0 98 0 - 9.9-10.9 Violated in 20 structures by 0.27 A. Peak 10545 from cnoeabs.peaks (1.79, 2.07, 40.84 ppm; 5.48 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 39 + HB3 LEU 38 OK 100 100 100 100 3.8-6.0 6604/6599=93...(14) HB2 LEU 42 + HB3 LEU 38 OK 58 98 60 100 5.1-7.5 ~12068=54, 3.0/10546=45...(21) HB2 LYS 66 - HB3 LEU 38 poor 14 81 65 26 5.4-8.1 ~9516=6, 9515/12202=6...(8) HB ILE 56 - HB3 LEU 38 far 4 75 5 - 6.2-8.8 HB VAL 78 - HB3 LEU 38 far 0 97 0 - 7.7-10.3 HB3 GLU 63 - HB3 LEU 38 far 0 96 0 - 8.1-10.9 HB3 LEU 57 - HB3 LEU 38 far 0 77 0 - 9.0-12.5 Violated in 3 structures by 0.02 A. Peak 10546 from cnoeabs.peaks (1.88, 2.07, 40.84 ppm; 5.45 A): 2 out of 8 assignments used, quality = 0.98: HG LEU 42 + HB3 LEU 38 OK 96 96 100 100 3.8-6.0 12068/3.1=78...(19) HB3 LYS 39 + HB3 LEU 38 OK 55 93 60 98 5.3-7.2 6605/6599=86...(12) HB3 LYS 66 - HB3 LEU 38 poor 18 92 20 - 5.7-9.2 HB ILE 8 - HB3 LEU 38 far 0 97 0 - 6.5-9.1 HB2 LYS 33 - HB3 LEU 38 far 0 65 0 - 7.8-11.4 HB3 LYS 33 - HB3 LEU 38 far 0 70 0 - 7.8-11.7 HB VAL 54 - HB3 LEU 38 far 0 100 0 - 8.0-10.6 HB3 LYS 68 - HB3 LEU 38 far 0 99 0 - 9.2-12.2 Violated in 3 structures by 0.01 A. Peak 10548 from cnoeabs.peaks (2.64, 0.86, 23.57 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.80: HB3 TYR 41 + QD1 LEU 38 OK 80 100 80 100 3.9-8.2 1.8/10549=78...(15) HG3 MET 74 - QD1 LEU 38 poor 19 93 50 41 4.6-9.5 3.4/10868=19...(4) HB3 ASP 65 - QD1 LEU 38 far 0 100 0 - 7.3-9.8 HD2 ARG 30 - QD1 LEU 38 far 0 75 0 - 7.9-11.6 Violated in 18 structures by 0.82 A. Peak 10549 from cnoeabs.peaks (2.31, 0.86, 23.57 ppm; 5.02 A): 1 out of 5 assignments used, quality = 0.70: HB2 TYR 41 + QD1 LEU 38 OK 70 100 70 100 3.9-7.2 2.5/12065=73...(12) HG3 GLU 43 - QD1 LEU 38 far 0 98 0 - 6.3-10.5 HG2 GLU 63 - QD1 LEU 38 far 0 96 0 - 6.3-9.8 HB2 TYR 4 - QD1 LEU 38 far 0 93 0 - 7.2-11.4 HG3 GLU 69 - QD1 LEU 38 far 0 77 0 - 8.0-10.6 Violated in 8 structures by 0.50 A. Peak 10550 from cnoeabs.peaks (1.81, 1.46, 40.84 ppm; 5.44 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 39 + HB2 LEU 38 OK 99 99 100 100 3.8-6.0 6604/1633=83...(18) HB2 LEU 42 + HB2 LEU 38 OK 55 100 55 100 5.3-7.5 ~12068=53, 3.0/10551=44...(21) HB VAL 78 - HB2 LEU 38 far 0 82 0 - 7.5-10.7 HB3 GLU 63 - HB2 LEU 38 far 0 79 0 - 8.4-10.4 HB3 LEU 57 - HB2 LEU 38 far 0 95 0 - 9.1-12.7 HB2 LYS 68 - HB2 LEU 38 far 0 75 0 - 9.8-12.5 Violated in 3 structures by 0.01 A. Peak 10551 from cnoeabs.peaks (1.90, 1.46, 40.84 ppm; 5.40 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 42 + HB2 LEU 38 OK 99 99 100 100 3.8-6.2 12068/3.1=91...(19) HB VAL 32 + HB2 LEU 38 OK 59 65 90 100 3.6-7.1 ~10162=67, 2.1/8944=49...(19) HB ILE 8 - HB2 LEU 38 far 10 99 10 - 6.1-8.8 HB VAL 54 - HB2 LEU 38 far 0 93 0 - 7.3-10.4 HB3 LYS 33 - HB2 LEU 38 far 0 99 0 - 7.7-11.2 HB2 LYS 33 - HB2 LEU 38 far 0 98 0 - 8.1-11.9 HB3 LYS 68 - HB2 LEU 38 far 0 71 0 - 9.0-12.0 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 6 assignments used, quality = 0.80: HA LEU 42 + HA GLU 43 OK 73 77 100 95 4.7-4.9 10343/9610=41...(13) HA GLU 37 + HA LYS 40 OK 25 99 25 99 4.8-5.6 6615/2.9=65, 1794/3.0=64...(11) HA GLU 37 - HA GLU 35 far 0 59 0 - 6.3-6.5 HA LEU 42 - HA LYS 40 far 0 98 0 - 6.5-6.9 HA LEU 64 - HA GLU 35 far 0 37 0 - 8.2-10.6 HA GLU 37 - HA GLU 43 far 0 79 0 - 9.9-10.9 Violated in 20 structures by 0.38 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 3.8-4.9 6681=99, 12303/9609=77...(9) H ASP 36 - HA LYS 39 far 0 96 0 - 7.4-7.8 H LYS 68 - HA LYS 39 far 0 97 0 - 9.3-10.6 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 5.3-5.5 10547=100, 6591/3.0=99...(10) H ILE 76 - HA LYS 39 far 0 79 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 10559 from cnoeabs.peaks (7.84, 3.61, 60.29 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.95: H TYR 41 + HA LYS 39 OK 95 95 100 100 4.0-4.8 6643=93, 6637/3.6=90...(13) H LYS 73 - HA LYS 39 far 0 100 0 - 7.8-8.9 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 2.6-3.9 10537=100, 8949/6604=53...(15) Violated in 0 structures by 0.00 A. Peak 10561 from cnoeabs.peaks (3.87, 1.80, 32.18 ppm; 4.40 A): 3 out of 10 assignments used, quality = 0.95: HA LYS 40 + HB2 LYS 39 OK 73 99 75 99 4.5-5.5 2.9/6620=79, ~6621=54...(10) HA GLU 35 + HB2 LYS 39 OK 65 98 70 95 4.4-6.0 4.9/10537=48...(15) HA ARG 91 + HB2 LYS 90 OK 51 85 60 99 3.9-5.6 3.0/7433=43, 9956/3.0=41...(21) HA LEU 38 - HB2 LYS 39 far 0 100 0 - 5.6-5.7 HA ALA 89 - HB2 LYS 90 far 0 69 0 - 5.7-6.6 HA LYS 94 - HB2 LYS 90 far 0 89 0 - 6.1-9.5 HA ALA 67 - HB2 LYS 39 far 0 92 0 - 6.5-8.6 HA ALA 71 - HB2 LYS 39 far 0 81 0 - 7.0-9.0 HA GLU 43 - HB2 LYS 39 far 0 99 0 - 7.5-8.9 HB2 SER 85 - HB2 LYS 90 far 0 66 0 - 8.2-10.9 Violated in 1 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (4.28, 1.34, 25.61 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.78: HA ASP 36 + HG2 LYS 39 OK 60 100 60 100 4.8-6.7 10537/3.0=92...(12) HA ASP 65 + HG3 LYS 68 OK 46 46 100 100 2.8-5.8 10268/1.8=66...(24) Violated in 0 structures by 0.00 A. Peak 10563 from cnoeabs.peaks (4.29, 1.64, 29.36 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.91: HA ASP 65 + HD3 LYS 68 OK 70 79 90 99 2.1-6.4 10268/3.0=36...(27) HA ASP 65 + HD2 LYS 68 OK 69 78 90 99 2.0-5.9 10268/3.0=36...(27) HA ASP 36 - HD2 LYS 39 poor 19 94 20 - 3.7-7.1 HA ASP 36 - HD3 LYS 39 far 15 100 15 - 3.8-6.6 Violated in 4 structures by 0.16 A. Peak 10564 from cnoeabs.peaks (4.29, 2.87, 41.80 ppm; 4.27 A): 2 out of 7 assignments used, quality = 0.76: HA ASP 36 + HE3 LYS 39 OK 55 99 60 93 2.8-7.1 10537/4.9=45, 8788=41...(10) HA ASP 36 + HE2 LYS 39 OK 46 100 50 93 3.6-7.8 10537/4.9=45, 8788=34...(10) HA ASP 65 - HE3 LYS 66 far 0 48 0 - 5.4-8.6 HA ASP 65 - HE2 LYS 66 far 0 62 0 - 6.4-8.5 HA ASP 65 - HE3 LYS 82 far 0 55 0 - 7.2-11.4 HA ASP 36 - HE2 LYS 66 far 0 73 0 - 7.8-14.1 HA ASP 36 - HE3 LYS 66 far 0 57 0 - 8.3-13.9 Violated in 12 structures by 0.49 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 4.0-6.6 10560/3.0=94...(13) Violated in 5 structures by 0.12 A. Peak 10566 from cnoeabs.peaks (0.69, 1.80, 32.18 ppm; 5.34 A): 1 out of 10 assignments used, quality = 1.00: QD1 LEU 42 + HB2 LYS 39 OK 100 100 100 100 3.7-4.5 8953/3.0=91...(27) QD2 LEU 14 - HB2 LYS 90 far 13 86 15 - 5.9-9.5 QD1 LEU 14 - HB2 LYS 90 far 12 81 15 - 6.1-9.6 QD1 ILE 56 - HB2 LYS 39 far 0 98 0 - 7.2-8.8 QG1 VAL 5 - HB2 LYS 90 far 0 63 0 - 7.3-9.4 QD1 ILE 8 - HB2 LYS 39 far 0 97 0 - 7.4-8.7 QD2 LEU 6 - HB2 LYS 39 far 0 99 0 - 7.7-9.3 QG2 VAL 78 - HB2 LYS 39 far 0 84 0 - 8.6-10.4 HG13 ILE 56 - HB2 LYS 39 far 0 93 0 - 9.0-12.1 QG1 VAL 58 - HB2 LYS 39 far 0 85 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 10567 from cnoeabs.peaks (0.71, 1.87, 32.18 ppm; 4.42 A): 3 out of 27 assignments used, quality = 0.97: QD1 LEU 64 + HB3 LYS 68 OK 81 82 100 98 2.0-4.7 ~12320=40, 9531/3010=38...(25) QD1 LEU 42 + HB3 LYS 39 OK 79 80 100 100 3.3-4.6 8953/3.0=68...(23) QD1 ILE 56 + HB3 LYS 68 OK 27 100 40 67 4.4-7.5 9536/3020=34...(6) QG2 VAL 78 - HB3 LYS 68 far 15 100 15 - 4.6-8.7 QG1 VAL 58 - HB3 LYS 68 far 0 100 0 - 5.4-8.2 QG2 VAL 58 - HB3 LYS 68 far 0 59 0 - 5.5-7.9 HG13 ILE 56 - HB3 LYS 68 far 0 100 0 - 5.7-9.5 QG1 VAL 78 - HB3 LYS 68 far 0 75 0 - 5.8-7.9 QG2 ILE 93 - HB2 LYS 20 far 0 50 0 - 6.4-8.2 QD1 ILE 8 - HB3 LYS 68 far 0 100 0 - 6.7-8.9 QD1 ILE 56 - HB3 LYS 39 far 0 97 0 - 6.8-9.4 QD1 LEU 42 - HB3 LYS 68 far 0 84 0 - 7.0-8.6 QD2 LEU 14 - HB2 LYS 12 far 0 89 0 - 7.2-8.2 QD2 LEU 14 - HB3 LYS 12 far 0 90 0 - 7.4-8.4 QD2 LEU 6 - HB3 LYS 39 far 0 76 0 - 7.9-9.4 QD1 ILE 8 - HB3 LYS 39 far 0 98 0 - 8.2-9.8 QD1 LEU 14 - HB3 LYS 12 far 0 52 0 - 8.3-8.8 QG1 VAL 78 - HB3 LYS 39 far 0 71 0 - 8.4-10.2 QD1 LEU 14 - HB2 LYS 12 far 0 51 0 - 8.5-8.8 QG2 VAL 78 - HB3 LYS 39 far 0 97 0 - 8.6-10.7 HG3 ARG 81 - HB3 LYS 68 far 0 85 0 - 8.6-12.2 QG1 VAL 5 - HB2 LYS 20 far 0 82 0 - 8.6-10.5 HG13 ILE 93 - HB2 LYS 20 far 0 62 0 - 8.7-11.5 QD2 LEU 14 - HB2 LYS 20 far 0 85 0 - 9.1-11.5 HG13 ILE 56 - HB3 LYS 39 far 0 98 0 - 9.3-12.8 QD1 LEU 14 - HB2 LYS 20 far 0 49 0 - 9.4-12.5 QG1 VAL 58 - HB3 LYS 39 far 0 97 0 - 9.9-11.9 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 2.5-4.6 10570/1.8=77...(14) QD2 LEU 6 - HG3 LYS 39 far 0 75 0 - 8.2-9.7 QG2 VAL 54 - HG3 LYS 39 far 0 100 0 - 8.6-10.7 Violated in 1 structures by 0.00 A. Peak 10569 from cnoeabs.peaks (0.80, 1.34, 25.61 ppm; 3.63 A): 2 out of 20 assignments used, quality = 0.96: QD2 LEU 70 + HG2 LYS 39 OK 85 100 90 95 2.0-6.3 10822/3.9=39, 3168=30...(24) QD1 LEU 70 + HG2 LYS 39 OK 71 97 80 91 2.0-5.4 2.1/3168=23, 8956/3.0=21...(23) QD1 ILE 76 - HG2 LYS 39 far 10 100 10 - 4.4-7.0 QD2 LEU 38 - HG2 LYS 39 far 5 91 5 - 4.5-7.7 QD2 LEU 42 - HG2 LYS 39 far 0 68 0 - 5.1-5.9 QD2 LEU 70 - HG3 LYS 68 far 0 66 0 - 5.9-9.5 QD1 LEU 70 - HG3 LYS 68 far 0 62 0 - 6.4-9.1 QD2 LEU 38 - HG3 LYS 68 far 0 55 0 - 6.5-9.5 QD1 LEU 6 - HG2 LYS 39 far 0 75 0 - 6.5-8.0 QD2 LEU 103 - HG3 LYS 68 far 0 51 0 - 6.9-17.8 QG2 VAL 32 - HG2 LYS 39 far 0 77 0 - 6.9-8.5 QD2 LEU 42 - HG3 LYS 68 far 0 38 0 - 7.5-9.6 QD2 LEU 57 - HG3 LYS 68 far 0 66 0 - 8.2-11.9 QD1 LEU 6 - HG3 LYS 68 far 0 43 0 - 8.3-11.1 QD1 LEU 57 - HG3 LYS 68 far 0 49 0 - 8.4-11.9 QG2 ILE 8 - HG2 LYS 39 far 0 96 0 - 8.9-12.0 QG2 ILE 8 - HG3 LYS 68 far 0 61 0 - 9.0-11.5 QD1 ILE 76 - HG3 LYS 68 far 0 67 0 - 9.5-12.3 QG2 VAL 32 - HG3 LYS 68 far 0 44 0 - 9.7-12.3 QG2 ILE 52 - HG2 LYS 39 far 0 88 0 - 9.8-12.6 Violated in 4 structures by 0.01 A. Peak 10570 from cnoeabs.peaks (0.68, 1.34, 25.61 ppm; 3.23 A): 1 out of 12 assignments used, quality = 0.90: QD1 LEU 42 + HG2 LYS 39 OK 90 99 100 91 2.6-3.4 10568/1.8=29...(16) QD1 ILE 56 - HG3 LYS 68 far 0 44 0 - 4.2-9.0 QG2 VAL 58 - HG3 LYS 68 far 0 67 0 - 5.4-8.0 QD1 ILE 56 - HG2 LYS 39 far 0 77 0 - 6.4-8.6 QD1 ILE 8 - HG3 LYS 68 far 0 42 0 - 6.6-9.3 HG13 ILE 56 - HG3 LYS 68 far 0 35 0 - 6.6-11.3 QD1 ILE 8 - HG2 LYS 39 far 0 73 0 - 6.9-9.9 QD1 LEU 42 - HG3 LYS 68 far 0 64 0 - 7.4-9.5 QD2 LEU 6 - HG2 LYS 39 far 0 99 0 - 8.3-9.7 QG2 VAL 54 - HG2 LYS 39 far 0 88 0 - 8.3-10.0 HG13 ILE 56 - HG2 LYS 39 far 0 63 0 - 8.7-11.4 QG2 VAL 54 - HG3 LYS 68 far 0 53 0 - 9.2-12.5 Violated in 10 structures by 0.04 A. Peak 10571 from cnoeabs.peaks (2.52, 1.34, 25.61 ppm; 5.97 A): 2 out of 5 assignments used, quality = 0.99: HG2 MET 74 + HG2 LYS 39 OK 99 99 100 100 2.2-5.3 3.4/12072=88...(16) HG3 GLN 72 + HG3 LYS 68 OK 42 56 75 100 3.9-8.1 9563/2.9=71...(16) HB2 ASP 36 - HG2 LYS 39 far 0 98 0 - 7.1-9.4 HB3 ASP 36 - HG2 LYS 39 far 0 99 0 - 7.4-9.3 HB2 ASP 61 - HG3 LYS 68 far 0 65 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 10572 from cnoeabs.peaks (2.31, 1.34, 25.61 ppm; 5.14 A): 2 out of 4 assignments used, quality = 0.96: HG3 GLU 43 + HG2 LYS 39 OK 93 98 95 100 3.8-7.3 10574/1.8=77...(15) HG3 GLU 69 + HG3 LYS 68 OK 40 44 95 94 2.1-6.4 1.8/10799=36...(11) HB2 TYR 41 - HG2 LYS 39 far 0 100 0 - 7.5-9.4 HD3 ARG 81 - HG3 LYS 68 far 0 67 0 - 7.6-11.9 Violated in 2 structures by 0.01 A. Peak 10573 from cnoeabs.peaks (2.19, 1.34, 25.61 ppm; 4.97 A): 3 out of 10 assignments used, quality = 0.93: HG2 GLU 43 + HG2 LYS 39 OK 84 100 85 99 3.4-6.6 12308/3.0=78, ~10574=57...(10) HG3 GLU 35 + HG2 LYS 39 OK 40 100 40 100 3.6-9.7 10532/1.8=98...(17) HG2 GLU 35 + HG2 LYS 39 OK 30 100 30 99 4.5-8.6 ~10532=77, ~10533=29...(18) HB2 GLN 72 - HG3 LYS 68 far 2 48 5 - 5.5-9.0 HB2 GLU 63 - HG3 LYS 68 far 0 66 0 - 8.1-10.4 HG3 GLU 75 - HG2 LYS 39 far 0 96 0 - 9.2-12.1 HB3 GLU 75 - HG2 LYS 39 far 0 100 0 - 9.5-11.8 HG2 GLU 75 - HG2 LYS 39 far 0 94 0 - 9.6-12.7 HG2 GLU 35 - HG3 LYS 68 far 0 66 0 - 9.7-14.6 HB2 GLN 72 - HG2 LYS 39 far 0 82 0 - 9.8-12.3 Violated in 1 structures by 0.01 A. Peak 10574 from cnoeabs.peaks (2.31, 1.44, 25.61 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.38: HG3 GLU 43 + HG3 LYS 39 OK 38 95 40 99 4.4-7.4 10280/12073=75...(15) HB2 TYR 41 - HG3 LYS 39 far 0 99 0 - 7.7-9.7 HG3 GLU 69 - HG3 LYS 39 far 0 68 0 - 9.6-14.6 Violated in 18 structures by 1.08 A. Peak 10575 from cnoeabs.peaks (2.20, 1.44, 25.61 ppm; 4.85 A): 3 out of 6 assignments used, quality = 0.93: HG3 GLU 35 + HG3 LYS 39 OK 75 100 75 100 2.4-8.3 10532=96, 10533/3.0=39...(17) HG2 GLU 35 + HG3 LYS 39 OK 60 100 60 100 3.2-7.5 1.8/10532=95, ~10533=28...(17) HG2 GLU 43 + HG3 LYS 39 OK 34 99 35 99 3.9-7.1 12308/3.0=76...(11) HB3 GLN 72 - HG3 LYS 39 far 0 65 0 - 8.9-13.1 HG3 GLU 75 - HG3 LYS 39 far 0 85 0 - 9.3-12.8 HB2 GLN 72 - HG3 LYS 39 far 0 65 0 - 9.8-14.0 Violated in 2 structures by 0.03 A. Peak 10576 from cnoeabs.peaks (2.19, 1.80, 32.18 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.99: HG3 GLU 35 + HB2 LYS 39 OK 94 100 95 99 3.1-7.0 10532/3.0=80...(18) HG2 GLU 35 + HB2 LYS 39 OK 78 100 80 98 3.4-6.2 ~10532=56...(18) HG2 GLU 43 + HB2 LYS 39 OK 29 100 30 95 5.0-7.1 12308/3.6=65, ~10574=42...(10) HG3 PRO 86 - HB2 LYS 90 far 0 90 0 - 6.2-9.4 HB3 GLU 16 - HB2 LYS 90 far 0 72 0 - 7.2-12.7 HB3 GLU 95 - HB2 LYS 90 far 0 61 0 - 8.1-12.9 HB2 GLU 95 - HB2 LYS 90 far 0 85 0 - 8.1-12.5 HB3 GLU 23 - HB2 LYS 90 far 0 52 0 - 9.0-12.1 Violated in 1 structures by 0.01 A. Peak 10577 from cnoeabs.peaks (2.51, 1.64, 29.36 ppm; 4.72 A): 3 out of 16 assignments used, quality = 0.89: HG2 MET 74 + HD2 LYS 39 OK 56 89 65 96 3.4-7.0 ~12073=36, ~12072=33...(17) HG2 MET 74 + HD3 LYS 39 OK 51 97 55 96 3.7-6.4 ~12073=36, ~12072=33...(17) HG3 GLU 95 + HD2 LYS 94 OK 49 84 80 73 3.6-8.9 7542/7534=29...(5) HD2 ARG 91 - HD2 LYS 94 poor 17 67 25 - 3.4-8.9 HG3 GLN 72 - HD3 LYS 68 poor 15 74 20 - 4.8-9.0 HG3 GLN 72 - HD2 LYS 68 poor 15 73 20 - 3.3-9.2 HB3 ASP 36 - HD2 LYS 39 far 5 93 5 - 5.5-9.6 HB2 ASP 36 - HD2 LYS 39 far 5 93 5 - 5.4-9.9 HB2 ASP 36 - HD3 LYS 39 far 0 99 0 - 5.7-9.5 HB3 ASP 36 - HD3 LYS 39 far 0 100 0 - 5.9-9.5 HB2 ASP 61 - HD2 LYS 68 far 0 90 0 - 7.6-13.0 HB2 ASP 87 - HD2 LYS 94 far 0 81 0 - 8.5-12.2 HB2 ASP 61 - HD3 LYS 68 far 0 91 0 - 8.5-12.9 HB3 ASP 87 - HD2 LYS 94 far 0 81 0 - 8.7-10.7 HG3 GLU 63 - HD3 LYS 68 far 0 91 0 - 9.7-13.2 HG2 MET 74 - HD2 LYS 68 far 0 84 0 - 9.8-13.8 Violated in 2 structures by 0.01 A. Peak 10578 from cnoeabs.peaks (2.19, 1.64, 29.36 ppm; 4.40 A): 5 out of 21 assignments used, quality = 0.89: HG3 GLU 35 + HD2 LYS 39 OK 49 91 55 98 4.1-7.9 10532/3.0=72, 10533=49...(15) HG2 GLU 43 + HD3 LYS 39 OK 42 100 45 92 4.3-7.1 12308=59, ~10574=36...(9) HG2 GLU 35 + HD2 LYS 39 OK 35 91 40 96 3.5-7.9 ~10532=48, 1.8/10533=43...(16) HG3 GLU 35 + HD3 LYS 39 OK 29 99 30 97 3.6-9.6 10532/3.0=72...(15) HG2 GLU 35 + HD3 LYS 39 OK 24 99 25 96 3.6-8.3 ~10532=48, ~10533=31...(16) HB2 GLU 95 - HD2 LYS 94 far 8 78 10 - 4.5-8.2 HB3 GLU 95 - HD2 LYS 94 far 7 67 10 - 5.2-8.0 HG2 GLU 43 - HD2 LYS 39 far 5 94 5 - 5.2-7.4 HB2 GLN 72 - HD2 LYS 68 far 0 76 0 - 5.6-9.4 HG2 GLU 98 - HD2 LYS 94 far 0 62 0 - 6.3-8.9 HB2 GLN 72 - HD3 LYS 68 far 0 77 0 - 7.2-10.1 HB2 GLU 63 - HD3 LYS 68 far 0 87 0 - 8.1-11.3 HG2 GLU 99 - HD2 LYS 94 far 0 52 0 - 8.1-12.5 HG3 GLU 75 - HD2 LYS 39 far 0 91 0 - 9.0-14.0 HG2 GLU 104 - HD3 LYS 68 far 0 50 0 - 9.2-24.3 HG3 GLU 75 - HD3 LYS 39 far 0 99 0 - 9.3-13.2 HB2 GLU 63 - HD2 LYS 68 far 0 86 0 - 9.3-11.4 HB2 GLN 72 - HD2 LYS 39 far 0 81 0 - 9.4-13.0 HG2 GLU 75 - HD2 LYS 39 far 0 90 0 - 9.6-14.8 HB3 GLU 75 - HD3 LYS 39 far 0 100 0 - 9.9-12.7 HB3 GLU 75 - HD2 LYS 39 far 0 94 0 - 10.0-13.5 Violated in 3 structures by 0.02 A. Peak 10579 from cnoeabs.peaks (2.01, 1.16, 24.65 ppm; 5.72 A): 2 out of 6 assignments used, quality = 0.91: HB2 GLU 44 + HG2 LYS 40 OK 83 99 95 88 4.4-7.1 1880/10585=56...(8) HB3 GLU 44 + HG2 LYS 40 OK 45 99 65 71 4.8-7.6 3.0/10580=21...(7) QE MET 74 - HG2 LYS 40 poor 18 99 30 59 6.3-7.8 8881/6648=29...(5) HB2 GLU 37 - HG2 LYS 40 far 0 71 0 - 7.0-8.1 HB2 GLU 62 - HG3 LYS 82 far 0 49 0 - 8.8-11.0 HB2 ARG 46 - HG2 LYS 40 far 0 65 0 - 9.5-12.4 Violated in 4 structures by 0.06 A. Peak 10580 from cnoeabs.peaks (2.34, 1.16, 24.65 ppm; 5.89 A): 3 out of 4 assignments used, quality = 0.91: HB2 TYR 41 + HG2 LYS 40 OK 77 81 95 100 5.3-6.9 3.0/10585=82...(14) HG3 GLU 44 + HG2 LYS 40 OK 47 99 55 87 3.9-9.1 3.0/10579=42...(8) HG3 GLU 43 + HG2 LYS 40 OK 28 92 50 62 4.1-7.5 1956/3.8=23, 1990/4.9=15...(8) HD3 ARG 81 - HG3 LYS 82 far 0 28 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 10581 from cnoeabs.peaks (4.80, 1.46, 28.90 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.97: HA ASN 60 + HD2 LYS 82 OK 97 99 100 98 2.2-3.9 10938/1.8=83...(12) HA TRP 92 - HB2 ARG 91 poor 18 29 60 - 4.1-5.7 HA VAL 83 - HD2 LYS 82 far 0 100 0 - 5.6-6.4 HA VAL 83 - HB2 ARG 91 far 0 33 0 - 8.4-11.0 HA THR 34 - HD3 LYS 40 far 0 89 0 - 9.2-11.9 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 3.8-4.2 6684=100, 6685/3.6=87...(7) 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 = 0.99: H PHE 45 + HA TYR 41 OK 99 100 100 99 4.3-4.9 6722/1879=71...(10) Violated in 4 structures by 0.02 A. Peak 10585 from cnoeabs.peaks (1.16, 3.93, 59.76 ppm; 5.20 A): 1 out of 3 assignments used, quality = 1.00: HG2 LYS 40 + HA TYR 41 OK 100 100 100 100 3.5-5.2 1.8/10586=81...(21) HB2 LEU 6 - HA TYR 41 far 0 92 0 - 7.5-8.8 QG2 THR 31 - HA TYR 41 far 0 93 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10586 from cnoeabs.peaks (1.36, 3.93, 59.76 ppm; 5.19 A): 1 out of 5 assignments used, quality = 1.00: HG3 LYS 40 + HA TYR 41 OK 100 100 100 100 3.1-5.9 1.8/10585=81...(21) HB3 ARG 30 - HA TYR 41 far 5 97 5 - 6.0-7.2 HG2 LYS 39 - HA TYR 41 far 0 98 0 - 7.5-9.2 QB ALA 67 - HA TYR 41 far 0 92 0 - 9.6-11.1 HB2 LEU 70 - HA TYR 41 far 0 98 0 - 9.9-11.4 Violated in 5 structures by 0.12 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 3.8-5.6 1805/3.0=77...(22) HB2 LYS 40 + HA TYR 41 OK 89 90 100 100 4.3-5.6 1793/3.0=68...(19) HD2 LYS 47 - HA TYR 41 far 0 98 0 - 7.3-11.8 HD3 LYS 47 - HA TYR 41 far 0 98 0 - 7.3-11.3 HB3 LEU 6 - HA TYR 41 far 0 92 0 - 7.8-8.8 HD2 LYS 39 - HA TYR 41 far 0 97 0 - 9.2-11.1 HD3 LYS 39 - HA TYR 41 far 0 82 0 - 9.4-10.8 HB ILE 76 - HA TYR 41 far 0 87 0 - 9.5-10.3 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 3.2-4.5 3452/10878=64...(22) QD1 LEU 38 + HA LEU 42 OK 56 96 60 97 4.6-8.3 8912/3.0=70...(10) QG1 VAL 32 - HA LEU 42 far 0 73 0 - 7.9-9.1 QD1 LEU 2 - HA LEU 42 far 0 100 0 - 8.4-11.4 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: HG3 MET 74 + QD1 LEU 42 OK 99 99 100 100 1.9-5.7 1.8/9615=96, 3.4/9605=88...(24) HB3 TYR 41 + QD1 LEU 42 OK 94 100 95 100 4.7-6.5 6669/6676=87...(14) HB VAL 58 - QD1 LEU 14 far 0 63 0 - 7.2-8.4 HD3 ARG 91 - QD1 LEU 14 far 0 71 0 - 7.9-11.8 HB3 ASP 77 - QD1 LEU 42 far 0 100 0 - 8.8-10.0 HB3 ASP 65 - QD1 LEU 42 far 0 99 0 - 9.3-11.1 HB VAL 58 - QD1 LEU 42 far 0 70 0 - 9.8-11.1 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 3 assignments used, quality = 0.97: HB3 TYR 41 + QD2 LEU 42 OK 90 92 100 98 4.7-5.6 4.1/1943=70...(15) HG3 MET 74 + QD2 LEU 42 OK 75 100 75 100 2.3-6.6 ~9615=69, 9552/8924=60...(18) HB3 ASP 77 - QD2 LEU 42 far 0 95 0 - 6.4-7.8 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 = 0.99: HB3 TYR 41 + HG LEU 42 OK 96 96 100 100 3.7-5.4 4.1/6675=99...(16) HG3 MET 74 + HG LEU 42 OK 75 100 75 100 4.0-8.6 3.4/10340=96, ~9615=91...(21) HB3 ASP 77 - HG LEU 42 far 0 98 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 10597 from cnoeabs.peaks (3.87, 0.69, 25.64 ppm; 4.05 A): 4 out of 11 assignments used, quality = 1.00: HA LEU 38 + QD1 LEU 42 OK 96 100 100 96 3.5-4.6 3.6/8947=40...(20) HA ALA 71 + QD1 LEU 42 OK 91 91 100 100 2.0-3.2 8924/2.1=66...(26) HA ALA 67 + QD1 LEU 42 OK 66 98 95 71 3.7-5.1 3141/9544=23...(12) HB2 SER 85 + QD1 LEU 14 OK 34 60 60 96 4.5-5.4 3.0/8424=52, 1.8/9876=44...(14) HA ALA 89 - QD1 LEU 14 far 6 63 10 - 4.7-6.6 HA LYS 40 - QD1 LEU 42 far 0 100 0 - 5.6-6.2 HA GLU 35 - QD1 LEU 42 far 0 92 0 - 5.6-6.5 HA GLU 43 - QD1 LEU 42 far 0 96 0 - 5.7-5.8 HA LYS 12 - QD1 LEU 14 far 0 93 0 - 6.9-7.3 HB3 SER 49 - QD1 LEU 42 far 0 99 0 - 9.1-11.3 HA ARG 91 - QD1 LEU 14 far 0 84 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 10598 from cnoeabs.peaks (3.88, 1.90, 26.36 ppm; 5.67 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 38 + HG LEU 42 OK 100 100 100 100 3.7-4.4 3.8/12068=87...(21) HA ALA 71 + HG LEU 42 OK 77 77 100 100 4.2-5.7 8924/2.1=75, ~10414=62...(19) HA GLU 43 + HG LEU 42 OK 60 100 60 100 6.5-6.6 2.9/1934=75...(12) HA ALA 67 - HG LEU 42 poor 17 90 30 64 5.6-7.5 1659/12068=35...(8) HA LYS 40 - HG LEU 42 far 10 99 10 - 6.3-6.9 HA GLU 35 - HG LEU 42 far 0 99 0 - 7.5-8.9 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 = 0.64: HG12 ILE 76 + QD2 LEU 42 OK 64 68 95 100 3.4-5.1 1.8/12083=79...(26) HG12 ILE 52 - QD2 LEU 42 far 0 98 0 - 6.0-9.2 HB3 LEU 55 - QD2 LEU 42 far 0 84 0 - 7.3-9.2 HB3 ARG 81 - QD2 LEU 42 far 0 100 0 - 9.7-12.1 Violated in 16 structures by 0.29 A. Peak 10600 from cnoeabs.peaks (6.67, 0.77, 21.93 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.89: QD PHE 45 + QD2 LEU 42 OK 89 98 100 90 2.1-3.5 8928/1944=49...(15) Violated in 0 structures by 0.00 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 5.1-5.9 3.0/6719=89, 3.7/8928=81...(9) HA ASP 77 - HA LEU 42 far 0 93 0 - 8.5-9.7 Violated in 10 structures by 0.12 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 4.3-5.1 4.6/6719=63, 4.8/8928=62...(11) H LYS 39 - HA LEU 42 far 0 88 0 - 7.0-7.4 H GLU 75 - HA LEU 42 far 0 96 0 - 8.5-9.9 Violated in 1 structures by 0.00 A. Peak 10603 from cnoeabs.peaks (1.66, 2.32, 36.31 ppm; 4.55 A): 4 out of 43 assignments used, quality = 0.66: HD2 LYS 68 + HG3 GLU 69 OK 26 41 85 76 3.9-6.2 7128/7136=29, ~10799=18...(10) HB3 LYS 40 + HG3 GLU 43 OK 25 93 35 76 4.3-7.6 3.0/1956=23...(19) HD3 LYS 39 + HG3 GLU 43 OK 24 88 30 89 4.4-7.3 3.0/10574=48...(7) HG2 LYS 68 + HG3 GLU 69 OK 21 35 70 85 3.2-6.7 10794/3092=54...(6) HB2 LYS 40 - HG3 GLU 43 poor 20 94 30 71 4.9-8.1 3.0/1956=23, 4.1/1990=12...(17) HD2 LYS 13 - HG3 GLU 16 poor 16 25 65 - 3.6-8.2 HD3 LYS 13 - HG3 GLU 16 poor 16 23 70 - 3.5-7.4 HD3 LYS 20 - HG2 GLU 16 poor 16 60 35 78 4.9-7.9 12145/3.0=25, ~12146=21...(12) HD3 LYS 20 - HG3 GLU 16 poor 16 46 35 - 4.7-8.0 HD2 LYS 20 - HG2 GLU 16 poor 16 58 35 77 3.8-7.5 12145/3.0=29, ~12146=18...(12) HD3 LYS 13 - HG2 GLU 16 poor 14 31 45 - 3.6-8.8 HD3 LYS 68 - HG3 GLU 69 poor 14 40 35 - 4.7-7.3 HD3 LYS 12 - HG2 GLU 16 poor 14 34 40 - 3.1-8.8 HD2 LYS 20 - HG3 GLU 16 poor 11 45 25 - 4.3-7.3 HD2 LYS 12 - HG2 GLU 16 poor 10 34 30 - 4.0-9.7 HD2 LYS 13 - HG2 GLU 16 poor 8 34 25 - 4.5-9.4 HD3 LYS 12 - HG3 GLU 16 poor 8 25 30 - 3.4-9.3 HD2 LYS 12 - HG3 GLU 16 poor 6 25 25 - 4.1-8.5 HG3 LYS 20 - HG2 GLU 16 far 6 60 10 - 3.8-9.1 HD2 LYS 39 - HG3 GLU 43 far 5 99 5 - 4.6-7.9 HG3 LYS 20 - HG3 GLU 16 far 5 46 10 - 4.8-9.3 HD3 LYS 73 - HG3 GLU 69 far 4 44 10 - 5.3-9.8 HD3 LYS 66 - HG3 GLU 69 far 2 22 10 - 4.9-8.0 HG12 ILE 15 - HG2 GLU 16 far 0 42 0 - 5.5-8.7 HG LEU 70 - HG3 GLU 69 far 0 25 0 - 5.7-8.4 HD3 LYS 66 - HG2 GLU 63 far 0 21 0 - 5.7-10.2 HD2 LYS 73 - HG3 GLU 69 far 0 44 0 - 6.1-9.9 HB ILE 76 - HG3 GLU 43 far 0 92 0 - 6.6-10.1 HG12 ILE 15 - HG3 GLU 16 far 0 32 0 - 6.6-8.4 HG2 PRO 86 - HG3 GLU 16 far 0 33 0 - 6.8-10.9 HD3 LYS 90 - HG3 GLU 16 far 0 29 0 - 7.2-13.9 HD3 LYS 90 - HG2 GLU 16 far 0 39 0 - 7.3-13.9 HG2 PRO 86 - HG2 GLU 16 far 0 44 0 - 7.3-11.3 HD2 LYS 47 - HG3 GLU 43 far 0 96 0 - 7.5-11.7 HD3 LYS 47 - HG3 GLU 43 far 0 95 0 - 7.7-11.2 HD3 LYS 73 - HG3 GLU 43 far 0 100 0 - 8.3-13.5 HD2 LYS 73 - HG3 GLU 43 far 0 100 0 - 8.5-14.7 HG LEU 70 - HG3 GLU 43 far 0 70 0 - 8.9-12.0 HD3 LYS 68 - HG2 GLU 63 far 0 39 0 - 9.4-13.1 HG2 LYS 68 - HG2 GLU 63 far 0 33 0 - 9.6-12.0 HD2 LYS 39 - HG3 GLU 69 far 0 42 0 - 9.6-13.2 HB3 LEU 6 - HG2 GLU 63 far 0 37 0 - 9.8-12.3 HG LEU 70 - HG2 GLU 63 far 0 24 0 - 9.9-11.5 Violated in 4 structures by 0.03 A. Peak 10604 from cnoeabs.peaks (1.47, 2.32, 36.31 ppm; 4.56 A): 0 out of 34 assignments used, quality = 0.00: HG3 LYS 39 - HG3 GLU 43 far 13 84 15 - 4.4-7.4 HG2 LYS 12 - HG3 GLU 16 poor 10 38 25 - 4.4-8.1 HG2 LYS 12 - HG2 GLU 16 poor 8 50 50 34 4.2-8.2 8473/6239=23...(3) HG3 LYS 13 - HG2 GLU 16 far 6 41 15 - 4.6-7.1 HG2 LYS 20 - HG2 GLU 16 far 6 60 10 - 4.0-8.0 HG2 LYS 73 - HG3 GLU 69 far 5 32 15 - 4.7-8.9 HG3 LYS 13 - HG3 GLU 16 lone 3 31 70 16 4.5-6.5 3.9/8479=8, 12181/3.0=4 HG13 ILE 76 - HG3 GLU 43 far 0 75 0 - 5.5-9.4 HG2 LYS 20 - HG3 GLU 16 far 0 46 0 - 5.6-8.3 HD2 LYS 82 - HG2 GLU 63 far 0 41 0 - 5.6-7.8 HG2 LYS 66 - HG2 GLU 63 far 0 32 0 - 5.7-9.6 HG2 LYS 66 - HG3 GLU 69 far 0 33 0 - 5.7-7.9 HD2 LYS 40 - HG3 GLU 43 far 0 100 0 - 5.7-10.0 HG3 LYS 66 - HG2 GLU 63 far 0 30 0 - 5.7-8.8 HG2 LYS 13 - HG3 GLU 16 far 0 24 0 - 5.8-7.6 HG2 LYS 13 - HG2 GLU 16 far 0 33 0 - 5.9-8.1 HB3 LEU 64 - HG2 GLU 63 far 0 33 0 - 5.9-7.1 HD3 LYS 40 - HG3 GLU 43 far 0 100 0 - 6.4-10.0 HG LEU 64 - HG3 GLU 69 far 0 40 0 - 6.6-8.2 HG2 LYS 47 - HG3 GLU 43 far 0 87 0 - 6.9-12.3 HG3 LYS 66 - HG3 GLU 69 far 0 31 0 - 7.3-8.9 HG2 LYS 73 - HG3 GLU 43 far 0 85 0 - 7.7-13.0 HG LEU 38 - HG3 GLU 43 far 0 99 0 - 7.7-11.9 HG LEU 38 - HG2 GLU 63 far 0 41 0 - 7.9-10.9 HG LEU 64 - HG2 GLU 63 far 0 39 0 - 7.9-9.1 HB2 LEU 38 - HG3 GLU 43 far 0 98 0 - 8.2-10.9 QB ALA 22 - HG2 GLU 16 far 0 39 0 - 8.7-10.5 HB2 LEU 38 - HG2 GLU 63 far 0 40 0 - 8.8-10.9 HG LEU 38 - HG3 GLU 69 far 0 43 0 - 8.8-13.5 HG3 LYS 33 - HG2 GLU 63 far 0 21 0 - 8.9-13.7 HG LEU 29 - HG2 GLU 16 far 0 39 0 - 9.0-11.7 HB3 LEU 64 - HG3 GLU 69 far 0 34 0 - 9.2-10.6 QB ALA 22 - HG3 GLU 16 far 0 29 0 - 9.4-10.7 HG3 LYS 39 - HG3 GLU 69 far 0 31 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 10605 from cnoeabs.peaks (1.33, 2.32, 36.31 ppm; 4.65 A): 3 out of 15 assignments used, quality = 0.85: HB3 LEU 42 + HG3 GLU 43 OK 58 73 85 93 3.9-5.9 4.6/6696=59...(10) HG2 LYS 39 + HG3 GLU 43 OK 54 99 55 99 3.8-7.3 1.8/10574=59...(14) HG3 LYS 68 + HG3 GLU 69 OK 23 40 65 88 2.1-6.4 7127/7136=29...(9) HG3 LYS 40 - HG3 GLU 43 poor 12 87 25 57 4.5-8.5 3.8/1956=20...(7) HG12 ILE 8 - HG2 GLU 63 far 0 29 0 - 5.8-9.0 QB ALA 67 - HG2 GLU 63 far 0 42 0 - 6.0-6.5 HG LEU 14 - HG2 GLU 16 far 0 57 0 - 6.4-8.8 QB ALA 67 - HG3 GLU 69 far 0 44 0 - 6.5-7.7 HG LEU 14 - HG3 GLU 16 far 0 43 0 - 6.7-9.1 HB2 LEU 70 - HG3 GLU 69 far 0 25 0 - 6.7-8.5 HB2 LYS 82 - HG2 GLU 63 far 0 41 0 - 6.8-8.6 QB ALA 89 - HG3 GLU 16 far 0 48 0 - 7.0-9.4 QB ALA 89 - HG2 GLU 16 far 0 62 0 - 7.0-9.0 HB2 LEU 70 - HG3 GLU 43 far 0 70 0 - 7.8-10.4 QB ALA 89 - HG2 GLU 63 far 0 42 0 - 9.6-12.6 Violated in 2 structures by 0.01 A. Peak 10606 from cnoeabs.peaks (0.81, 2.32, 36.31 ppm; 4.23 A): 4 out of 25 assignments used, quality = 0.89: QG2 ILE 15 + HG2 GLU 16 OK 51 62 90 91 2.2-5.8 660/6239=56, 8530/689=53...(7) QD1 ILE 76 + HG3 GLU 43 OK 45 100 60 75 3.1-6.1 9604/10280=39...(8) QG2 ILE 15 + HG3 GLU 16 OK 38 48 90 87 3.7-5.4 8530/4.1=51, 660/6240=50...(6) QG2 ILE 8 + HG2 GLU 63 OK 33 35 100 95 2.1-5.0 10746/3.0=55...(11) QD2 LEU 70 - HG3 GLU 69 far 2 44 5 - 5.0-7.4 QD2 LEU 38 - HG2 GLU 63 far 0 37 0 - 5.9-8.2 QG2 ILE 7 - HG2 GLU 16 far 0 61 0 - 6.2-8.1 QD1 LEU 70 - HG3 GLU 69 far 0 42 0 - 6.2-7.7 QD2 LEU 70 - HG3 GLU 43 far 0 100 0 - 6.5-9.0 QD1 LEU 70 - HG3 GLU 43 far 0 99 0 - 6.5-9.2 QG2 ILE 7 - HG3 GLU 16 far 0 47 0 - 6.9-8.2 QD1 LEU 6 - HG3 GLU 43 far 0 65 0 - 7.1-9.3 QD1 LEU 70 - HG2 GLU 63 far 0 41 0 - 7.6-10.9 QD1 ILE 93 - HG3 GLU 16 far 0 24 0 - 7.9-10.4 QG2 VAL 32 - HG2 GLU 63 far 0 31 0 - 7.9-10.4 QD1 ILE 93 - HG2 GLU 16 far 0 33 0 - 8.0-9.5 QG2 ILE 7 - HG2 GLU 63 far 0 41 0 - 8.1-10.5 QG2 VAL 32 - HG3 GLU 43 far 0 85 0 - 8.2-10.7 QD2 LEU 38 - HG3 GLU 43 far 0 96 0 - 8.4-10.4 QD2 LEU 38 - HG3 GLU 69 far 0 39 0 - 8.5-10.7 QG2 ILE 52 - HG3 GLU 43 far 0 81 0 - 8.7-11.4 QD2 LEU 70 - HG2 GLU 63 far 0 42 0 - 8.9-11.4 QD1 LEU 57 - HG2 GLU 63 far 0 34 0 - 9.0-10.5 QD1 LEU 6 - HG2 GLU 63 far 0 22 0 - 9.2-12.0 QD2 LEU 57 - HG2 GLU 63 far 0 40 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 10607 from cnoeabs.peaks (0.70, 2.32, 36.31 ppm; 4.29 A): 3 out of 27 assignments used, quality = 0.65: QG1 VAL 58 + HG2 GLU 63 OK 38 38 100 100 3.1-4.8 9381/3.0=62...(22) QG2 VAL 58 + HG2 GLU 63 OK 27 27 100 100 3.8-5.2 ~10704=43, 10220/3.0=43...(21) QD1 ILE 8 + HG2 GLU 63 OK 23 42 60 90 3.7-6.5 8308/3.0=49, ~10746=29...(9) QD1 LEU 42 - HG3 GLU 43 poor 19 95 20 - 4.7-6.0 QD2 LEU 14 - HG2 GLU 16 far 0 62 0 - 6.1-7.8 QD1 LEU 64 - HG3 GLU 69 far 0 23 0 - 6.1-7.7 QD2 LEU 14 - HG3 GLU 16 far 0 48 0 - 6.4-8.1 QD1 LEU 14 - HG2 GLU 16 far 0 44 0 - 6.8-8.8 QD1 LEU 14 - HG3 GLU 16 far 0 33 0 - 6.8-9.0 QD1 LEU 64 - HG2 GLU 63 far 0 22 0 - 7.1-7.9 QD2 LEU 14 - HG2 GLU 63 far 0 42 0 - 7.3-10.2 QG2 VAL 78 - HG3 GLU 43 far 0 96 0 - 7.3-11.6 QD1 ILE 56 - HG3 GLU 69 far 0 44 0 - 7.5-11.2 QG2 VAL 78 - HG3 GLU 69 far 0 39 0 - 7.8-10.5 QD1 LEU 42 - HG3 GLU 69 far 0 38 0 - 8.2-9.4 QD2 LEU 6 - HG3 GLU 43 far 0 93 0 - 8.3-10.5 QD1 ILE 56 - HG2 GLU 63 far 0 42 0 - 8.3-10.4 QD1 LEU 14 - HG2 GLU 63 far 0 29 0 - 8.3-10.9 QD1 ILE 52 - HG3 GLU 43 far 0 99 0 - 8.3-10.0 QG1 VAL 58 - HG3 GLU 69 far 0 39 0 - 8.6-10.4 QD1 ILE 8 - HG3 GLU 69 far 0 44 0 - 8.8-11.2 QG2 VAL 58 - HG3 GLU 69 far 0 28 0 - 9.0-10.3 QD1 ILE 56 - HG3 GLU 43 far 0 100 0 - 9.0-11.1 HG13 ILE 56 - HG3 GLU 69 far 0 42 0 - 9.5-14.1 HG13 ILE 56 - HG2 GLU 63 far 0 41 0 - 9.9-12.4 QG1 VAL 5 - HG2 GLU 16 far 0 51 0 - 9.9-11.3 QD2 LEU 6 - HG2 GLU 63 far 0 35 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10608 from cnoeabs.peaks (0.80, 2.06, 29.24 ppm; 3.95 A): 4 out of 41 assignments used, quality = 0.96: QD1 LEU 70 + HB3 GLU 35 OK 74 79 100 93 1.9-4.5 9549/1.8=30...(18) QD2 LEU 70 + HB3 GLU 35 OK 67 84 85 94 2.4-6.1 10278=26, 9541/3.0=25...(21) QG2 ILE 15 + HB2 GLU 16 OK 36 95 40 95 4.0-5.4 8530/3.0=59, 660/6237=56...(9) QD2 LEU 38 + HB3 GLU 35 OK 22 72 35 89 2.8-6.3 ~10168=20, 10609/3.0=15...(24) QD2 LEU 103 - HB3 GLU 99 poor 9 46 20 - 3.7-10.6 QD2 LEU 103 - HB2 GLU 99 far 9 58 15 - 3.8-11.7 QD1 ILE 76 - HB3 GLU 43 far 5 100 5 - 4.8-5.9 QD1 LEU 27 - HB2 GLU 99 far 0 47 0 - 5.1-9.1 QG2 ILE 8 - HB3 GLU 35 far 0 78 0 - 5.4-7.7 QD1 LEU 27 - HB3 GLU 99 far 0 37 0 - 6.0-8.9 QD2 LEU 103 - HB3 GLU 98 far 0 61 0 - 6.1-15.0 QD2 LEU 103 - HB2 GLU 98 far 0 63 0 - 6.2-14.6 QD1 LEU 27 - HB2 GLU 98 far 0 51 0 - 6.4-7.3 QD2 LEU 42 - HB3 GLU 43 far 0 68 0 - 6.7-7.0 QG2 ILE 7 - HB2 GLU 16 far 0 96 0 - 6.9-8.2 QD1 LEU 6 - HB3 GLU 43 far 0 75 0 - 7.0-8.2 QG2 VAL 32 - HB3 GLU 35 far 0 59 0 - 7.1-7.7 QD1 LEU 27 - HB3 GLU 98 far 0 49 0 - 7.5-8.2 QD1 LEU 27 - HB2 GLU 23 far 0 47 0 - 7.8-9.1 QD1 ILE 93 - HB2 GLU 16 far 0 67 0 - 7.9-9.4 QD1 LEU 6 - HB3 GLU 35 far 0 57 0 - 8.0-9.2 QD2 LEU 70 - HB3 GLU 43 far 0 100 0 - 8.2-11.0 QD1 LEU 70 - HB3 GLU 43 far 0 97 0 - 8.2-10.2 QD1 ILE 93 - HB2 GLU 23 far 0 49 0 - 8.3-9.6 QD2 LEU 42 - HB3 GLU 35 far 0 51 0 - 8.3-10.3 QD1 LEU 57 - HB3 GLU 99 far 0 45 0 - 8.5-12.8 QD2 LEU 2 - HB2 GLU 99 far 0 74 0 - 8.7-12.1 QG2 VAL 32 - HB3 GLU 43 far 0 77 0 - 8.7-9.6 QG2 ILE 52 - HB3 GLU 43 far 0 88 0 - 8.8-10.3 QD1 ILE 93 - HB2 GLU 98 far 0 52 0 - 9.0-11.5 QD2 LEU 2 - HB3 GLU 99 far 0 60 0 - 9.0-13.0 QD2 LEU 57 - HB3 GLU 99 far 0 60 0 - 9.0-12.5 QD1 LEU 57 - HB2 GLU 99 far 0 57 0 - 9.1-12.2 QD2 LEU 38 - HB3 GLU 43 far 0 91 0 - 9.1-10.3 QD1 ILE 76 - HB3 GLU 35 far 0 85 0 - 9.2-12.1 QD2 LEU 57 - HB2 GLU 99 far 0 75 0 - 9.2-12.6 QD1 ILE 93 - HB3 GLU 99 far 0 38 0 - 9.6-12.6 QG2 ILE 52 - HB2 GLU 99 far 0 61 0 - 9.7-12.9 QG2 ILE 15 - HB2 GLU 23 far 0 74 0 - 9.8-10.7 QD1 ILE 93 - HB2 GLU 99 far 0 48 0 - 9.8-13.0 QG2 ILE 52 - HB3 GLU 99 far 0 48 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 10609 from cnoeabs.peaks (0.81, 3.88, 59.12 ppm; 3.50 A): 3 out of 26 assignments used, quality = 0.99: QD1 ILE 76 + HA GLU 43 OK 93 100 100 93 2.4-3.8 9630/1958=30...(20) QD1 LEU 70 + HA GLU 35 OK 78 96 90 91 2.0-5.1 9540=25, 2.1/9541=23...(25) QD2 LEU 38 + HA GLU 35 OK 49 92 65 83 1.9-4.7 4.5/12057=29...(18) QD2 LEU 70 - HA GLU 35 far 10 98 10 - 3.5-6.4 QG2 ILE 8 - HA GLU 35 far 0 88 0 - 4.7-6.3 QD1 ILE 93 - HA ARG 91 far 0 62 0 - 5.0-6.5 QG2 VAL 32 - HA GLU 35 far 0 81 0 - 5.1-5.7 QD1 LEU 6 - HA LYS 40 far 0 47 0 - 6.5-7.5 QD1 LEU 6 - HA GLU 35 far 0 61 0 - 6.6-7.9 QD1 ILE 76 - HA LYS 40 far 0 81 0 - 6.6-7.6 QD1 LEU 70 - HA LYS 40 far 0 79 0 - 6.7-8.4 QG2 VAL 32 - HA LYS 40 far 0 63 0 - 6.9-7.7 QG2 ILE 52 - HA GLU 43 far 0 81 0 - 7.0-8.6 QD1 LEU 6 - HA GLU 43 far 0 65 0 - 7.0-8.6 QD2 LEU 70 - HA LYS 40 far 0 82 0 - 7.0-9.4 QD1 LEU 57 - HA ARG 91 far 0 89 0 - 7.3-8.6 QD2 LEU 38 - HA LYS 40 far 0 74 0 - 7.7-8.2 QD2 LEU 70 - HA GLU 43 far 0 100 0 - 8.0-10.5 QD2 LEU 57 - HA ARG 91 far 0 97 0 - 8.0-9.1 QD1 LEU 27 - HA ARG 91 far 0 60 0 - 8.1-9.2 QD1 LEU 70 - HA GLU 43 far 0 99 0 - 8.2-10.0 QD1 ILE 76 - HA GLU 35 far 0 97 0 - 9.2-10.9 QG2 ILE 7 - HA GLU 35 far 0 97 0 - 9.5-10.6 QD2 LEU 38 - HA GLU 43 far 0 96 0 - 9.5-10.7 QG2 VAL 32 - HA GLU 43 far 0 85 0 - 9.7-10.5 QD2 LEU 2 - HA GLU 43 far 0 100 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10611 from cnoeabs.peaks (1.34, 4.08, 58.43 ppm; 4.77 A): 3 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...(14) QB ALA 25 + HA LYS 24 OK 67 68 100 99 4.8-4.9 4.8=99 HG3 LYS 68 + HA LYS 66 OK 42 99 55 77 4.5-7.9 3032/10774=52...(4) HB2 LEU 70 - HA LYS 66 poor 15 77 20 - 4.5-6.5 QB ALA 89 - HA GLU 17 poor 12 59 20 - 5.2-6.7 HB3 LEU 42 - HA ARG 46 far 3 50 5 - 5.6-7.0 HG LEU 14 - HA GLU 17 far 0 56 0 - 6.9-7.4 HG2 LYS 39 - HA LYS 66 far 0 100 0 - 7.4-11.1 HG2 LYS 94 - HA LYS 24 far 0 68 0 - 8.8-11.8 QB ALA 25 - HA GLU 17 far 0 59 0 - 9.3-10.5 HB3 LEU 27 - HA LYS 24 far 0 67 0 - 9.4-9.9 HG2 LYS 39 - HA ARG 46 far 0 86 0 - 9.6-12.4 HG12 ILE 8 - HA LYS 66 far 0 87 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10612 from cnoeabs.peaks (2.65, 4.07, 58.19 ppm; 5.24 A): 1 out of 5 assignments used, quality = 0.86: HB3 ASP 65 + HA LYS 66 OK 86 86 100 100 3.8-5.4 7067/3.0=94, ~7066=73...(12) HG3 MET 74 - HA ARG 46 far 0 90 0 - 7.1-9.8 HB3 ASP 77 - HA ARG 46 far 0 99 0 - 7.4-9.1 HG3 MET 74 - HA LYS 66 far 0 72 0 - 9.4-11.8 HB3 TYR 41 - HA ARG 46 far 0 100 0 - 9.7-10.6 Violated in 1 structures by 0.01 A. Peak 10613 from cnoeabs.peaks (2.97, 1.96, 29.74 ppm; 5.33 A): 3 out of 8 assignments used, quality = 0.91: HB2 PHE 45 + HB3 ARG 46 OK 72 96 100 75 4.3-6.2 4.5/6750=43, 6776/4.7=16...(9) HB2 PHE 45 + HB2 ARG 46 OK 58 84 95 73 4.4-6.2 6743/4.0=41, 6776/4.7=16...(8) HB3 PHE 45 + HB3 ARG 46 OK 22 100 30 73 5.5-7.1 4.5/6750=43, 6776/4.7=15...(9) HE3 LYS 47 - HB3 ARG 46 poor 20 100 20 - 2.8-9.6 HE2 LYS 47 - HB3 ARG 46 poor 20 100 20 - 3.7-9.9 HB3 PHE 45 - HB2 ARG 46 poor 18 92 20 - 5.8-7.0 HE3 LYS 47 - HB2 ARG 46 poor 18 91 20 - 3.8-9.5 HE2 LYS 47 - HB2 ARG 46 far 14 91 15 - 3.7-9.4 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 2.8-4.9 12089=98, 12088/1.8=94...(21) HB3 SER 9 - HG3 LYS 12 far 0 62 0 - 6.8-10.7 HA GLU 63 - HG2 LYS 68 far 0 55 0 - 7.2-9.5 HA TYR 41 - HG3 LYS 47 far 0 100 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 10616 from cnoeabs.peaks (3.92, 1.49, 25.00 ppm; 5.10 A): 2 out of 15 assignments used, quality = 0.84: HA GLU 44 + HG2 LYS 47 OK 79 93 85 100 2.2-6.1 12088=100, 12089/1.8=94...(20) HA3 GLY 101 + HG3 LYS 53 OK 23 58 50 81 4.4-9.4 12004/3.9=20...(14) HA3 GLY 101 - HG2 LYS 53 poor 19 47 40 - 4.7-9.3 HA GLU 43 - HG2 LYS 47 poor 9 68 35 38 5.0-9.4 6757/6772=23...(3) HB2 SER 102 - HG2 LYS 53 far 5 48 10 - 5.2-12.6 HB2 SER 102 - HG3 LYS 53 far 3 59 5 - 5.7-12.3 HA TYR 41 - HG2 LYS 47 far 0 99 0 - 7.5-10.7 HB3 SER 9 - HG3 LYS 33 far 0 86 0 - 7.6-9.7 HB3 SER 9 - HG3 LYS 13 far 0 98 0 - 8.0-11.3 HB2 SER 97 - HG3 LYS 24 far 0 59 0 - 8.6-11.0 HB2 SER 97 - HG3 LYS 53 far 0 48 0 - 8.6-12.1 HA GLU 43 - HG2 LYS 73 far 0 67 0 - 8.7-13.1 HA GLU 35 - HG3 LYS 33 far 0 60 0 - 9.0-9.3 HA ARG 91 - HG3 LYS 24 far 0 62 0 - 9.1-13.3 HA GLU 35 - HG2 LYS 73 far 0 75 0 - 9.7-12.4 Violated in 4 structures by 0.07 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 13 84 15 - 5.9-8.4 Violated in 20 structures by 1.65 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 4.4-5.1 6805/6798=85...(15) HA GLU 43 - HA GLU 48 far 0 85 0 - 9.8-11.0 Violated in 1 structures by 0.00 A. Peak 10620 from cnoeabs.peaks (4.53, 2.30, 29.70 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.79: HA PHE 45 + HB2 GLU 48 OK 79 100 80 99 5.2-6.4 10190/2230=70...(8) Violated in 19 structures by 0.53 A. Peak 10623 from cnoeabs.peaks (7.04, 2.43, 35.74 ppm; 6.14 A): 1 out of 5 assignments used, quality = 0.33: QD PHE 96 + HG3 GLU 99 OK 33 79 85 49 3.2-7.8 4318/10181=48 HZ PHE 96 - HG3 GLU 99 far 6 57 10 - 5.8-11.2 HZ3 TRP 92 - HG3 GLU 99 lone 1 56 60 2 5.1-13.3 HE ARG 91 - HG3 GLU 99 far 0 40 0 - 8.1-15.6 HE ARG 91 - HG3 GLU 17 far 0 43 0 - 9.9-16.7 Violated in 5 structures by 0.22 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 3.5-4.1 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 2.4-4.1 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 8 assignments used, quality = 0.63: QD1 LEU 2 + HG3 GLN 50 OK 63 92 70 98 4.4-7.7 12293/2.9=75...(11) QG2 ILE 76 - HG2 GLN 72 far 0 86 0 - 6.7-8.6 QD2 LEU 103 - HG2 GLN 72 far 0 61 0 - 7.3-17.1 QD1 LEU 38 - HG2 GLN 72 far 0 98 0 - 7.3-10.1 QG2 ILE 76 - HG3 GLN 50 far 0 91 0 - 7.6-10.3 QD1 LEU 103 - HG2 GLN 72 far 0 98 0 - 8.0-18.4 QD2 LEU 64 - HG2 GLN 72 far 0 98 0 - 9.1-10.4 QD2 LEU 103 - HG3 GLN 50 far 0 65 0 - 9.6-19.3 Violated in 16 structures by 0.83 A. Peak 10629 from cnoeabs.peaks (0.87, 2.02, 28.95 ppm; 4.98 A): 1 out of 13 assignments used, quality = 0.74: QD1 LEU 2 + HB2 GLN 50 OK 74 99 75 99 4.3-7.1 12293/1.8=73...(15) QD1 LEU 103 - HB3 GLU 98 far 2 43 5 - 5.8-15.2 QD1 LEU 103 - HB2 GLU 98 far 2 41 5 - 5.8-15.0 QG2 ILE 76 - HB2 GLU 44 far 0 50 0 - 6.7-8.5 QD1 LEU 2 - HB3 GLU 44 far 0 50 0 - 6.9-11.5 QD1 LEU 2 - HB2 GLU 44 far 0 50 0 - 6.9-11.5 HG13 ILE 7 - HB3 GLU 17 far 0 77 0 - 7.3-8.8 QG2 ILE 76 - HB2 GLN 50 far 0 99 0 - 7.7-10.1 QG2 ILE 76 - HB3 GLU 44 far 0 50 0 - 7.7-8.8 QD1 LEU 38 - HB2 GLU 44 far 0 47 0 - 7.9-11.2 QD1 LEU 38 - HB3 GLU 44 far 0 47 0 - 9.2-12.6 QG1 VAL 32 - HB2 GLU 44 far 0 30 0 - 9.4-11.2 QD1 LEU 103 - HB2 GLN 50 far 0 99 0 - 9.5-18.5 Violated in 17 structures by 0.71 A. Peak 10631 from cnoeabs.peaks (0.87, 2.67, 39.58 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 2 + HB3 ASN 51 OK 98 98 100 100 3.1-5.6 2.1/9116=84, 9126/3.5=55...(13) QG2 ILE 76 - HB3 ASN 51 far 0 98 0 - 8.2-10.0 QD1 LEU 103 - HB3 ASN 51 far 0 100 0 - 8.7-15.6 Violated in 3 structures by 0.02 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: HB2 GLU 48 - HB2 ASN 51 far 5 100 5 - 5.9-8.4 HG2 GLU 48 - HB2 ASN 51 far 0 63 0 - 8.0-11.3 Violated in 20 structures by 2.11 A. Peak 10633 from cnoeabs.peaks (2.43, 2.95, 39.58 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.98: HG3 MET 1 + HB2 ASN 51 OK 98 99 100 100 2.0-3.8 3.3/8030=83, 4.2/9131=68...(14) HG2 GLN 50 - HB2 ASN 51 poor 16 79 20 - 4.7-8.2 HG3 GLN 50 - HB2 ASN 51 far 15 100 15 - 4.1-8.1 HG3 GLU 48 - HB2 ASN 51 far 0 100 0 - 7.9-11.0 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 = 0.86: HB ILE 52 + HB3 ASN 51 OK 86 88 100 98 5.1-5.7 3.8/6856=78...(7) HB3 LYS 53 - HB3 ASN 51 far 0 61 0 - 7.5-8.4 Violated in 6 structures by 0.02 A. Peak 10636 from cnoeabs.peaks (0.78, 2.95, 39.58 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.91: QD2 LEU 2 + HB2 ASN 51 OK 84 84 100 100 2.9-5.1 9116/1.8=85, ~10631=61...(15) QG2 ILE 52 + HB2 ASN 51 OK 44 100 45 97 5.7-6.6 2350/6855=74, ~10634=58...(7) QD1 LEU 27 - HB2 ASN 51 far 0 97 0 - 9.4-11.1 QG1 VAL 78 - HB2 ASN 51 far 0 63 0 - 9.8-11.9 Violated in 0 structures by 0.00 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 3.0-4.1 ~2349=63, 3.0/6870=59...(26) Violated in 0 structures by 0.00 A. Peak 10639 from cnoeabs.peaks (1.53, 5.33, 59.69 ppm; 5.25 A): 4 out of 14 assignments used, quality = 1.00: HG12 ILE 56 + HA THR 80 OK 100 100 100 100 2.3-5.7 2.9/10293=92...(24) HG LEU 2 + HA ILE 52 OK 63 63 100 100 2.6-5.1 3.0/8046=81, 3.0/8047=74...(18) HG3 ARG 79 + HA THR 80 OK 55 100 55 99 4.9-7.1 ~7299=51, 7301/2.9=46...(17) HG2 ARG 79 + HA THR 80 OK 45 100 45 100 3.7-6.9 ~7299=51, 3531/2.9=47...(17) HD3 LYS 53 - HA ILE 52 poor 11 56 20 - 4.5-6.6 HB2 LEU 3 - HA ILE 52 poor 11 55 20 - 5.8-7.2 HG LEU 57 - HA THR 80 far 0 79 0 - 7.1-8.2 HG LEU 6 - HA THR 80 far 0 100 0 - 7.2-9.8 HB3 GLU 28 - HA ILE 52 far 0 42 0 - 8.4-9.4 HG2 LYS 47 - HA ILE 52 far 0 34 0 - 8.4-12.1 HG2 ARG 79 - HA ILE 52 far 0 69 0 - 8.6-12.5 HD3 LYS 82 - HA THR 80 far 0 65 0 - 8.7-10.5 HB ILE 7 - HA THR 80 far 0 99 0 - 9.2-10.4 HG3 ARG 79 - HA ILE 52 far 0 69 0 - 9.3-12.6 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 2.0-4.8 12039/2.1=78, ~12040=49...(26) QG2 ILE 76 + QD1 ILE 52 OK 96 99 100 96 3.0-4.7 10877=42, 9025/9027=35...(19) QD1 LEU 38 - QD1 ILE 52 far 0 73 0 - 8.0-10.9 QD1 LEU 103 - QD1 ILE 52 far 0 81 0 - 9.4-16.3 Violated in 1 structures by 0.01 A. Peak 10641 from cnoeabs.peaks (2.04, 1.46, 27.19 ppm; 3.98 A): 2 out of 25 assignments used, quality = 0.98: HB3 GLU 48 + HG13 ILE 52 OK 95 100 95 100 3.8-4.9 9177/2.1=69...(23) HB3 LEU 38 + HG LEU 38 OK 70 70 100 100 2.3-3.0 3.0=100 HB3 GLU 35 - HG LEU 38 poor 11 55 20 - 4.1-5.7 HB3 LYS 94 - HG3 ARG 91 far 5 46 10 - 4.4-7.3 HB3 GLU 88 - HG3 ARG 91 far 3 34 10 - 4.4-6.8 HG12 ILE 93 - HG LEU 29 far 3 66 5 - 4.7-6.9 HB2 GLU 35 - HG LEU 38 far 0 54 0 - 5.1-7.0 HG2 GLU 28 - HG LEU 29 far 0 58 0 - 6.0-9.2 HG3 GLU 28 - HG LEU 29 far 0 58 0 - 6.0-9.5 HB2 GLN 50 - HG13 ILE 52 far 0 91 0 - 7.0-9.9 HG12 ILE 93 - HG3 ARG 91 far 0 56 0 - 7.3-10.7 HB2 MET 21 - HG LEU 29 far 0 66 0 - 7.3-9.3 HG3 GLU 28 - HG13 ILE 52 far 0 93 0 - 7.4-10.9 HB2 MET 21 - HG3 ARG 91 far 0 56 0 - 7.6-11.4 HB3 GLU 17 - HG3 ARG 91 far 0 28 0 - 8.1-13.2 HB2 GLU 62 - HG LEU 64 far 0 44 0 - 8.1-8.7 HG2 GLU 28 - HG13 ILE 52 far 0 93 0 - 8.4-10.5 HB2 GLU 98 - HG3 ARG 91 far 0 57 0 - 8.8-13.7 HB2 MET 74 - HG LEU 38 far 0 83 0 - 9.1-12.1 HB3 GLU 43 - HG LEU 38 far 0 81 0 - 9.3-11.8 HB2 GLU 99 - HG3 ARG 91 far 0 57 0 - 9.4-16.8 HB3 GLU 17 - HG LEU 29 far 0 34 0 - 9.5-10.5 HB2 GLU 16 - HG LEU 29 far 0 43 0 - 9.7-10.9 HB2 GLU 62 - HG LEU 38 far 0 68 0 - 9.9-13.4 HB3 GLU 98 - HG3 ARG 91 far 0 57 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 10642 from cnoeabs.peaks (2.30, 1.46, 27.19 ppm; 5.62 A): 3 out of 19 assignments used, quality = 1.00: HB2 GLU 48 + HG13 ILE 52 OK 100 100 100 100 4.4-6.3 9040/2.1=95, ~9177=83...(25) HB2 TYR 4 + HG13 ILE 52 OK 100 100 100 100 4.0-5.9 9239/10208=82...(18) HG2 GLU 48 + HG13 ILE 52 OK 35 63 55 100 4.2-7.9 ~9177=67, ~9041=66...(19) HG2 GLU 95 - HG3 ARG 91 poor 20 43 60 77 3.4-9.7 ~10040=69, ~4050=7...(5) HG2 GLU 37 - HG LEU 38 poor 16 52 30 - 5.3-9.0 HB2 TYR 41 - HG LEU 38 far 8 83 10 - 6.2-8.0 HD3 ARG 81 - HG LEU 64 far 0 61 0 - 6.7-9.4 HB2 TYR 4 - HG LEU 29 far 0 67 0 - 6.7-8.4 HG2 GLU 23 - HG LEU 29 far 0 50 0 - 7.3-9.0 HG3 GLU 62 - HG LEU 64 far 0 39 0 - 7.6-9.1 HG3 GLU 43 - HG LEU 38 far 0 73 0 - 7.7-11.9 HG2 GLU 62 - HG LEU 64 far 0 39 0 - 7.9-9.8 HG2 GLU 63 - HG LEU 38 far 0 93 0 - 7.9-10.9 HG2 GLU 63 - HG LEU 64 far 0 65 0 - 7.9-9.1 HD3 ARG 81 - HG3 ARG 91 far 0 53 0 - 8.2-14.7 HB2 TYR 41 - HG LEU 29 far 0 59 0 - 8.7-10.0 HB2 TYR 41 - HG13 ILE 52 far 0 94 0 - 8.7-10.6 HG3 GLU 62 - HG LEU 38 far 0 61 0 - 8.8-13.4 HG2 GLU 62 - HG LEU 38 far 0 61 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 10643 from cnoeabs.peaks (2.04, 0.78, 17.78 ppm; 4.29 A): 1 out of 17 assignments used, quality = 0.99: HB3 GLU 48 + QG2 ILE 52 OK 99 99 100 100 2.3-4.9 9177/3.1=66...(24) HB2 GLN 50 - QG2 ILE 52 far 14 96 15 - 5.0-7.6 HB3 LEU 38 - QG2 ILE 8 far 4 42 10 - 5.1-7.2 HB2 GLU 62 - QG2 ILE 8 far 0 53 0 - 6.3-7.8 HB2 GLU 35 - QG2 ILE 8 far 0 43 0 - 6.3-8.3 QE MET 74 - QG2 ILE 52 far 0 61 0 - 6.5-8.6 HB2 GLU 44 - QG2 ILE 52 far 0 59 0 - 6.9-9.6 HB2 MET 74 - QG2 ILE 52 far 0 88 0 - 7.0-8.8 HB3 MET 1 - QG2 ILE 52 far 0 63 0 - 7.4-9.3 HB3 GLU 44 - QG2 ILE 52 far 0 59 0 - 7.6-9.6 HG3 GLU 28 - QG2 ILE 52 far 0 87 0 - 8.4-11.5 HB3 GLU 43 - QG2 ILE 52 far 0 85 0 - 8.8-10.3 HG2 GLU 28 - QG2 ILE 52 far 0 87 0 - 9.1-11.0 QE MET 74 - QG2 ILE 8 far 0 35 0 - 9.6-10.9 HB2 GLU 99 - QG2 ILE 52 far 0 100 0 - 9.7-12.9 HB3 LEU 38 - QG2 ILE 52 far 0 71 0 - 9.8-13.7 HB3 GLU 99 - QG2 ILE 52 far 0 100 0 - 9.9-13.5 Violated in 14 structures by 0.19 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 2.3-4.6 12316=100, 9041/3.2=94...(24) HB2 GLN 50 + HB ILE 52 OK 54 77 95 74 5.5-7.2 4.6/9105=60, ~9160=14...(5) HG3 GLU 28 - HB ILE 52 far 0 99 0 - 9.5-13.5 HB2 MET 74 - HB ILE 52 far 0 99 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 10645 from cnoeabs.peaks (2.31, 1.67, 42.16 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLU 48 + HB ILE 52 OK 98 98 100 100 2.5-4.9 1.8/12316=65...(28) HG2 GLU 48 + HB ILE 52 OK 22 88 25 99 3.6-6.8 3.0/12316=53, ~9167=36...(20) HB2 TYR 4 - HB ILE 52 far 0 93 0 - 6.9-8.9 Violated in 9 structures by 0.16 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 2.1-4.8 9053=99, 9057/2.1=88...(24) Violated in 0 structures by 0.00 A. Peak 10647 from cnoeabs.peaks (4.54, 0.78, 17.78 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.76: HA PHE 45 + QG2 ILE 52 OK 76 85 90 99 3.6-5.2 8996=80, 9170/3.1=60...(18) HA LYS 33 - QG2 ILE 8 poor 19 65 100 29 2.5-4.4 11114/2357=8, ~9314=8...(5) HA ASP 77 - QG2 ILE 52 poor 14 87 30 54 4.5-6.1 3.0/12317=18...(9) HA THR 84 - QG2 ILE 8 far 0 40 0 - 8.6-10.2 Violated in 9 structures by 0.25 A. Peak 10648 from cnoeabs.peaks (6.46, 5.16, 60.16 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.90: QD TYR 4 + HA VAL 54 OK 81 81 100 100 3.8-4.7 2.5/10204=86...(22) QE TYR 4 + HA VAL 54 OK 47 96 50 99 6.0-6.9 4.4/10204=63...(13) 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 4.3-5.6 6048/9239=79...(12) H ASP 77 + QG2 VAL 54 OK 62 63 100 97 4.8-5.7 4.3/11070=84...(6) H LEU 57 - QG2 VAL 54 far 0 100 0 - 8.1-8.7 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 96 100 100 96 5.5-6.2 9333/10663=74...(9) H VAL 5 + QG1 VAL 54 OK 95 95 100 100 3.1-3.9 4.7/10663=72...(18) H VAL 5 - QG1 VAL 78 poor 15 75 20 - 6.6-9.1 H LEU 57 - QG1 VAL 78 poor 8 82 25 37 6.1-9.2 4.5/10662=24...(4) 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 5 assignments used, quality = 0.87: HB3 LYS 53 + HA VAL 54 OK 87 87 100 100 4.3-5.0 6888/3.0=72, ~6887=68...(25) HB2 GLU 28 - HA VAL 54 far 0 71 0 - 7.4-9.7 HB ILE 52 - HA VAL 54 far 0 59 0 - 7.6-8.3 HB2 LEU 2 - HA VAL 54 far 0 99 0 - 7.8-10.3 HD2 ARG 81 - HA VAL 54 far 0 96 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 10653 from cnoeabs.peaks (1.30, 0.76, 21.39 ppm; 3.53 A): 0 out of 18 assignments used, quality = 0.00: HB3 LEU 42 - QG1 VAL 78 poor 15 83 30 60 4.1-6.7 10883/10906=19, 1925=15...(10) QB ALA 67 - QG1 VAL 78 far 8 56 15 - 4.4-6.1 HB3 LEU 42 - QG1 VAL 54 far 0 100 0 - 5.0-7.0 QB ALA 67 - QG1 VAL 54 far 0 75 0 - 5.6-6.4 HG2 ARG 30 - QG1 VAL 54 far 0 98 0 - 6.0-8.4 HB3 LEU 27 - QG1 VAL 54 far 0 61 0 - 6.4-7.6 HG2 LYS 39 - QG1 VAL 78 far 0 43 0 - 6.8-9.2 HG LEU 3 - QG1 VAL 54 far 0 100 0 - 7.2-8.9 HB3 LEU 2 - QG1 VAL 54 far 0 82 0 - 7.7-9.5 HG2 LYS 39 - QG1 VAL 54 far 0 59 0 - 8.4-9.8 QB ALA 89 - QG1 VAL 54 far 0 71 0 - 8.6-9.4 QB ALA 25 - QG1 VAL 54 far 0 71 0 - 8.6-9.8 HG LEU 3 - QG1 VAL 78 far 0 82 0 - 9.0-11.0 QB ALA 89 - QG1 VAL 78 far 0 53 0 - 9.2-12.3 HG2 ARG 30 - QG1 VAL 78 far 0 79 0 - 9.3-12.1 HB3 LEU 2 - QG1 VAL 78 far 0 62 0 - 9.3-11.7 HB2 LYS 82 - QG1 VAL 78 far 0 46 0 - 9.5-12.2 HB3 LEU 27 - QG1 VAL 78 far 0 44 0 - 9.6-12.0 Violated in 20 structures by 0.50 A. Peak 10654 from cnoeabs.peaks (1.05, 0.76, 21.39 ppm; 4.03 A): 2 out of 8 assignments used, quality = 0.79: HB3 LEU 55 + QG1 VAL 54 OK 71 85 100 84 4.1-4.8 3.9/2504=45...(8) HG12 ILE 76 + QG1 VAL 78 OK 27 48 60 93 4.4-7.5 3.2/10906=50, ~10287=28...(14) HB3 LEU 55 - QG1 VAL 78 far 0 65 0 - 5.2-8.4 HG12 ILE 52 - QG1 VAL 54 far 0 99 0 - 5.4-7.8 HG12 ILE 52 - QG1 VAL 78 far 0 80 0 - 6.0-9.0 HB3 ARG 81 - QG1 VAL 78 far 0 83 0 - 7.0-11.0 HG12 ILE 76 - QG1 VAL 54 far 0 65 0 - 7.6-8.7 HB3 ARG 81 - QG1 VAL 54 far 0 100 0 - 7.9-10.3 Violated in 17 structures by 0.08 A. Peak 10655 from cnoeabs.peaks (1.65, 0.76, 21.39 ppm; 3.85 A): 2 out of 27 assignments used, quality = 0.97: HB3 LEU 6 + QG1 VAL 54 OK 93 100 100 93 2.5-4.6 207=40, 6065/10663=38...(15) HB ILE 76 + QG1 VAL 78 OK 60 80 75 99 2.3-5.2 2.1/10906=59...(18) HB3 ARG 79 - QG1 VAL 78 far 8 83 10 - 4.5-6.9 HB3 LEU 6 - QG1 VAL 78 far 0 82 0 - 4.8-8.6 HB3 ARG 79 - QG1 VAL 54 far 0 100 0 - 5.1-7.7 HD3 LYS 68 - QG1 VAL 78 far 0 83 0 - 5.5-9.6 HG2 LYS 68 - QG1 VAL 78 far 0 79 0 - 5.6-8.8 HD2 LYS 68 - QG1 VAL 78 far 0 83 0 - 5.7-10.0 HB3 LYS 53 - QG1 VAL 54 far 0 75 0 - 5.9-6.5 HB ILE 76 - QG1 VAL 54 far 0 99 0 - 5.9-7.2 HB3 LYS 53 - QG1 VAL 78 far 0 56 0 - 6.1-7.4 HB ILE 52 - QG1 VAL 78 far 0 76 0 - 6.3-9.0 HB ILE 52 - QG1 VAL 54 far 0 96 0 - 7.4-8.1 HD3 LYS 73 - QG1 VAL 78 far 0 80 0 - 7.9-11.7 HB2 LYS 40 - QG1 VAL 54 far 0 99 0 - 8.0-10.5 HB3 LYS 40 - QG1 VAL 54 far 0 79 0 - 8.1-10.6 HD2 LYS 39 - QG1 VAL 78 far 0 83 0 - 8.2-11.0 HD2 LYS 73 - QG1 VAL 78 far 0 78 0 - 8.3-11.3 HD3 LYS 68 - QG1 VAL 54 far 0 100 0 - 8.4-12.1 HD3 LYS 39 - QG1 VAL 78 far 0 78 0 - 8.4-11.1 HG2 LYS 68 - QG1 VAL 54 far 0 98 0 - 8.6-11.1 HG3 LYS 47 - QG1 VAL 54 far 0 73 0 - 9.0-11.9 HD2 LYS 47 - QG1 VAL 54 far 0 84 0 - 9.1-12.9 HD2 LYS 68 - QG1 VAL 54 far 0 100 0 - 9.2-12.9 HD3 LYS 47 - QG1 VAL 54 far 0 82 0 - 9.3-13.2 HG3 LYS 47 - QG1 VAL 78 far 0 54 0 - 9.4-13.2 HB2 LYS 40 - QG1 VAL 78 far 0 81 0 - 9.5-11.6 Violated in 4 structures by 0.06 A. Peak 10656 from cnoeabs.peaks (2.98, 0.76, 21.39 ppm; 4.91 A): 3 out of 9 assignments used, quality = 1.00: HB2 PHE 45 + QG1 VAL 54 OK 99 100 100 99 4.3-5.7 ~9222=61, 4.4/9226=57...(13) HB3 PHE 45 + QG1 VAL 54 OK 94 95 100 99 4.4-5.6 ~9222=61, 4.4/9226=57...(13) HB2 PHE 45 + QG1 VAL 78 OK 27 83 75 42 4.6-6.5 9653/10906=20...(5) HB3 PHE 45 - QG1 VAL 78 poor 17 75 60 39 5.0-6.6 9653/10906=16...(5) HE2 LYS 47 - QG1 VAL 54 far 0 99 0 - 8.8-13.4 HE2 LYS 73 - QG1 VAL 78 far 0 53 0 - 9.1-12.4 HE3 LYS 73 - QG1 VAL 78 far 0 44 0 - 9.3-12.6 HB2 ASN 51 - QG1 VAL 78 far 0 44 0 - 9.8-11.9 HE3 LYS 47 - QG1 VAL 54 far 0 99 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 10657 from cnoeabs.peaks (3.71, 0.76, 21.39 ppm; 3.16 A): 0 out of 9 assignments used, quality = 0.00: HA LEU 42 - QG1 VAL 54 far 10 99 10 - 3.6-5.3 HA LEU 42 - QG1 VAL 78 far 4 80 5 - 3.8-6.1 HB THR 80 - QG1 VAL 78 far 0 49 0 - 5.0-7.9 HA LEU 64 - QG1 VAL 78 far 0 48 0 - 7.3-9.6 HB THR 80 - QG1 VAL 54 far 0 68 0 - 7.7-9.1 HA GLU 37 - QG1 VAL 54 far 0 100 0 - 8.8-9.7 HA LEU 64 - QG1 VAL 54 far 0 65 0 - 9.0-9.9 HA3 GLY 100 - QG1 VAL 54 far 0 100 0 - 9.0-11.4 HA3 GLY 100 - QG1 VAL 78 far 0 83 0 - 9.7-13.1 Violated in 20 structures by 0.91 A. Peak 10658 from cnoeabs.peaks (3.85, 0.76, 21.39 ppm; 4.08 A): 1 out of 19 assignments used, quality = 0.82: HA ALA 71 + QG1 VAL 78 OK 82 82 100 100 2.4-4.6 2.1/10210=86, ~9685=49...(20) HA LEU 38 - QG1 VAL 54 far 0 90 0 - 5.5-6.2 HA ALA 67 - QG1 VAL 78 far 0 83 0 - 5.6-6.9 HA ALA 71 - QG1 VAL 54 far 0 100 0 - 6.1-7.7 HA LEU 38 - QG1 VAL 78 far 0 69 0 - 6.3-7.8 HB3 SER 49 - QG1 VAL 78 far 0 83 0 - 7.0-11.3 HA GLU 43 - QG1 VAL 78 far 0 56 0 - 7.1-9.9 HA ALA 67 - QG1 VAL 54 far 0 100 0 - 7.2-8.1 HA2 GLY 101 - QG1 VAL 78 far 0 77 0 - 7.4-14.6 HA GLU 43 - QG1 VAL 54 far 0 75 0 - 7.4-9.3 HA2 GLY 101 - QG1 VAL 54 far 0 97 0 - 8.0-14.4 HA LYS 40 - QG1 VAL 54 far 0 98 0 - 8.7-9.8 HA ALA 22 - QG1 VAL 54 far 0 85 0 - 9.0-10.0 HA LYS 40 - QG1 VAL 78 far 0 78 0 - 9.1-10.9 HA GLU 35 - QG1 VAL 54 far 0 68 0 - 9.1-10.4 HA SER 97 - QG1 VAL 54 far 0 68 0 - 9.2-10.3 HA GLU 35 - QG1 VAL 78 far 0 49 0 - 9.4-10.5 HB3 SER 49 - QG1 VAL 54 far 0 100 0 - 9.6-11.1 HA2 GLY 100 - QG1 VAL 54 far 0 97 0 - 9.6-12.7 Violated in 4 structures by 0.06 A. Peak 10662 from cnoeabs.peaks (9.20, 0.76, 21.39 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.96: H ILE 56 + QG1 VAL 54 OK 93 98 100 96 3.6-4.4 4.7/2504=51...(12) H ILE 56 + QG1 VAL 78 OK 44 78 65 86 3.1-6.1 9697/4.3=56, 9300/3.2=40...(13) Violated in 0 structures by 0.00 A. Peak 10663 from cnoeabs.peaks (9.32, 0.76, 21.39 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.99: H LEU 6 + QG1 VAL 54 OK 99 100 100 99 2.8-3.5 9294/4.1=54...(15) H LEU 6 - QG1 VAL 78 poor 5 83 25 25 4.9-8.0 11108/10662=13...(5) H LYS 33 - QG1 VAL 54 far 0 98 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10664 from cnoeabs.peaks (1.51, -0.63, 42.07 ppm; 5.98 A): 4 out of 8 assignments used, quality = 1.00: HG2 ARG 79 + HB2 LEU 55 OK 92 92 100 100 2.3-6.5 ~9252=64, ~12329=59...(24) HG12 ILE 56 + HB2 LEU 55 OK 85 95 90 99 5.7-8.0 2577/4.5=70, 9317/3.0=67...(11) HG3 ARG 79 + HB2 LEU 55 OK 73 91 80 100 2.8-7.5 ~9252=64, ~12329=59...(22) HG LEU 57 + HB2 LEU 55 OK 63 98 65 100 5.1-7.3 10214/3.1=85, ~10212=80...(16) HD3 LYS 53 - HB2 LEU 55 poor 15 61 25 - 6.6-9.4 HB2 LEU 3 - HB2 LEU 55 poor 15 59 25 - 6.0-8.2 HG LEU 6 - HB2 LEU 55 far 15 99 15 - 6.5-8.6 HB ILE 7 - HB2 LEU 55 far 5 99 5 - 6.7-9.8 Violated in 0 structures by 0.00 A. Peak 10665 from cnoeabs.peaks (3.10, -0.63, 42.07 ppm; 5.87 A): 3 out of 4 assignments used, quality = 1.00: HB2 PHE 96 + HB2 LEU 55 OK 100 100 100 100 3.9-5.9 ~9263=76, ~10050=74...(22) HD2 ARG 79 + HB2 LEU 55 OK 67 71 95 99 2.9-8.8 ~10911=36, 12330/3.0=36...(17) HD3 ARG 79 + HB2 LEU 55 OK 60 75 80 99 2.0-8.7 ~12330=45, ~9696=35...(20) HB2 TRP 92 - HB2 LEU 55 far 10 100 10 - 6.2-8.0 Violated in 0 structures by 0.00 A. Peak 10666 from cnoeabs.peaks (1.81, 0.44, 22.30 ppm; 5.65 A): 3 out of 10 assignments used, quality = 0.99: HB3 LEU 57 + QD1 LEU 55 OK 97 97 100 100 4.8-6.5 3.1/10211=76, ~10212=74...(25) HB VAL 78 + QD1 LEU 55 OK 40 77 60 86 5.6-7.8 4.4/9692=71...(7) HB2 LYS 53 + QD1 LEU 55 OK 31 75 70 59 5.2-6.9 9206/9274=32, 9190=25...(6) HB ILE 93 - QD1 LEU 55 far 15 100 15 - 5.8-7.8 HB2 GLU 104 - QD1 LEU 55 far 0 100 0 - 6.8-15.8 HB2 LYS 68 - QD1 LEU 55 far 0 81 0 - 7.6-10.1 HB2 GLU 88 - QD1 LEU 55 far 0 100 0 - 7.7-9.5 HB3 LYS 90 - QD1 LEU 55 far 0 87 0 - 9.2-11.0 HB2 LYS 90 - QD1 LEU 55 far 0 100 0 - 9.2-10.8 HB3 GLU 63 - QD1 LEU 55 far 0 73 0 - 9.6-11.4 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 3.6-6.0 3.0/9256=83, 9260/2.1=82...(16) Violated in 10 structures by 0.14 A. Peak 10669 from cnoeabs.peaks (6.97, 4.67, 52.29 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 96 + HA LEU 55 OK 94 99 100 95 3.8-4.8 9291/2.9=52, 9286/3.0=31...(17) Violated in 15 structures by 0.23 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 2.3-4.2 8236=73, 1.8/8235=59...(30) HG2 LYS 68 - QG2 ILE 56 far 0 100 0 - 5.7-7.4 HB3 ARG 79 - QG2 ILE 56 far 0 100 0 - 6.6-8.5 HD3 LYS 68 - QG2 ILE 56 far 0 100 0 - 7.0-9.2 HD2 LYS 68 - QG2 ILE 56 far 0 100 0 - 7.7-9.5 HB ILE 76 - QG2 ILE 56 far 0 100 0 - 8.3-9.5 HB2 LYS 40 - QG2 ILE 56 far 0 100 0 - 8.9-10.7 HB3 LYS 40 - QG2 ILE 56 far 0 70 0 - 9.1-11.4 HD2 LYS 39 - QG2 ILE 56 far 0 100 0 - 9.1-11.1 HD3 LYS 39 - QG2 ILE 56 far 0 99 0 - 9.1-11.3 HB3 LYS 53 - QG2 ILE 56 far 0 65 0 - 10.0-11.3 Violated in 3 structures by 0.04 A. Peak 10673 from cnoeabs.peaks (1.90, 0.60, 16.63 ppm; 4.58 A): 1 out of 10 assignments used, quality = 1.00: HB ILE 8 + QG2 ILE 56 OK 100 100 100 100 3.4-4.6 10383=84, 2.9/8312=63...(17) HG LEU 42 - QG2 ILE 56 far 10 100 10 - 4.8-6.6 HB3 LYS 68 - QG2 ILE 56 far 4 84 5 - 5.5-8.0 HB VAL 54 - QG2 ILE 56 far 0 98 0 - 5.6-6.8 HB3 LYS 66 - QG2 ILE 56 far 0 65 0 - 5.9-7.0 HB VAL 5 - QG2 ILE 56 far 0 65 0 - 7.2-7.9 HB3 LYS 39 - QG2 ILE 56 far 0 68 0 - 8.4-10.2 HB3 LYS 33 - QG2 ILE 56 far 0 94 0 - 9.2-10.7 HB3 LEU 14 - QG2 ILE 56 far 0 100 0 - 9.3-11.2 HB2 LYS 33 - QG2 ILE 56 far 0 92 0 - 9.4-10.7 Violated in 1 structures by 0.00 A. Peak 10674 from cnoeabs.peaks (0.83, 0.60, 16.63 ppm; 3.35 A): 4 out of 13 assignments used, quality = 0.93: QG2 VAL 32 + QG2 ILE 56 OK 60 100 85 71 3.4-4.6 10160/10672=35...(6) QD2 LEU 38 + QG2 ILE 56 OK 58 99 100 59 1.9-4.2 9526/9528=19...(18) QD2 LEU 57 + QG2 ILE 56 OK 40 61 95 68 3.8-4.5 4.6/6932=31, 3.1/9355=15...(11) QD1 LEU 38 + QG2 ILE 56 OK 29 82 80 44 1.8-5.0 9526/9528=12...(14) QD1 LEU 57 - QG2 ILE 56 far 5 100 5 - 4.2-5.6 QD1 LEU 70 - QG2 ILE 56 far 0 94 0 - 4.3-7.9 QG2 ILE 7 - QG2 ILE 56 far 0 68 0 - 5.0-6.2 QD2 LEU 64 - QG2 ILE 56 far 0 79 0 - 6.1-7.1 QD2 LEU 70 - QG2 ILE 56 far 0 84 0 - 6.3-7.8 QG2 ILE 15 - QG2 ILE 56 far 0 87 0 - 7.5-9.2 QD1 ILE 76 - QG2 ILE 56 far 0 71 0 - 7.5-8.7 QD1 LEU 103 - QG2 ILE 56 far 0 75 0 - 9.0-17.6 QD2 LEU 103 - QG2 ILE 56 far 0 100 0 - 9.3-16.8 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 = 0.99: QG2 THR 80 + HG13 ILE 56 OK 99 99 100 100 2.7-5.3 12206/1.8=98...(20) HG LEU 55 + HG13 ILE 56 OK 49 100 55 89 5.4-7.2 3.7/9316=47...(6) QG2 VAL 5 - HG13 ILE 56 far 4 88 5 - 6.0-8.2 HB2 ARG 81 - HG13 ILE 56 far 0 63 0 - 7.5-10.7 QG2 VAL 83 - HG13 ILE 56 far 0 100 0 - 8.9-9.9 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 = 0.93: HB2 LEU 6 + HG13 ILE 56 OK 93 99 95 100 2.0-5.7 8235/3.2=69, ~10672=55...(21) HB2 LEU 57 - HG13 ILE 56 far 0 100 0 - 7.8-8.8 QB ALA 18 - HG13 ILE 56 far 0 63 0 - 8.3-10.6 HB2 LEU 29 - HG13 ILE 56 far 0 75 0 - 9.0-12.8 Violated in 4 structures by 0.08 A. Peak 10677 from cnoeabs.peaks (1.36, 0.71, 27.60 ppm; 3.82 A): 1 out of 9 assignments used, quality = 0.85: QB ALA 67 + HG13 ILE 56 OK 85 92 95 97 2.7-4.8 9528/3.2=57...(15) HG12 ILE 8 - HG13 ILE 56 far 0 100 0 - 5.4-7.9 HG3 LYS 68 - HG13 ILE 56 far 0 99 0 - 6.6-11.3 HB2 LEU 70 - HG13 ILE 56 far 0 98 0 - 6.7-9.3 HB3 ARG 30 - HG13 ILE 56 far 0 97 0 - 7.0-10.2 HG2 LYS 39 - HG13 ILE 56 far 0 98 0 - 8.7-11.4 QB ALA 89 - HG13 ILE 56 far 0 94 0 - 8.9-11.3 HB2 LYS 82 - HG13 ILE 56 far 0 97 0 - 9.3-11.3 HG3 LYS 40 - HG13 ILE 56 far 0 100 0 - 9.8-13.9 Violated in 14 structures by 0.20 A. Peak 10678 from cnoeabs.peaks (1.90, 0.71, 27.60 ppm; 4.86 A): 1 out of 6 assignments used, quality = 0.65: HB VAL 54 + HG13 ILE 56 OK 65 96 100 68 3.4-5.6 ~10209=28, 323/2.1=19...(7) HG LEU 42 - HG13 ILE 56 poor 18 100 50 36 5.0-6.8 1932/2.1=26, ~1948=7...(4) HB VAL 32 - HG13 ILE 56 poor 12 59 20 - 5.5-8.6 HB3 LYS 68 - HG13 ILE 56 far 4 77 5 - 5.7-9.5 HB ILE 8 - HG13 ILE 56 far 0 100 0 - 6.9-8.7 HB3 LYS 39 - HG13 ILE 56 far 0 59 0 - 9.3-12.8 Violated in 8 structures by 0.16 A. Peak 10679 from cnoeabs.peaks (0.97, 1.53, 27.60 ppm; 4.93 A): 2 out of 5 assignments used, quality = 0.99: QG2 THR 80 + HG12 ILE 56 OK 96 96 100 100 2.7-4.9 12206=96, 9729/2.9=87...(24) HG LEU 55 + HG12 ILE 56 OK 67 100 75 89 4.8-7.0 3.7/9317=45...(8) QG2 VAL 5 - HG12 ILE 56 far 0 93 0 - 6.0-7.4 HB2 ARG 81 - HG12 ILE 56 far 0 71 0 - 7.4-10.4 QG2 VAL 83 - HG12 ILE 56 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 10680 from cnoeabs.peaks (1.34, 1.53, 27.60 ppm; 4.57 A): 1 out of 10 assignments used, quality = 1.00: QB ALA 67 + HG12 ILE 56 OK 100 100 100 100 3.6-4.6 9528/3.2=83...(18) HG12 ILE 8 - HG12 ILE 56 far 4 85 5 - 5.0-8.6 HG3 LYS 68 - HG12 ILE 56 far 0 99 0 - 6.1-10.5 HB3 ARG 30 - HG12 ILE 56 far 0 71 0 - 7.0-11.7 HB2 LEU 70 - HG12 ILE 56 far 0 75 0 - 7.2-9.3 HB3 LEU 42 - HG12 ILE 56 far 0 68 0 - 7.9-10.0 HG2 LYS 39 - HG12 ILE 56 far 0 100 0 - 8.2-12.4 HB2 LYS 82 - HG12 ILE 56 far 0 100 0 - 8.6-10.7 QB ALA 89 - HG12 ILE 56 far 0 100 0 - 9.3-10.6 HG3 LYS 40 - HG12 ILE 56 far 0 91 0 - 10.0-15.6 Violated in 1 structures by 0.00 A. Peak 10681 from cnoeabs.peaks (1.33, 0.71, 13.82 ppm; 3.03 A): 3 out of 23 assignments used, quality = 0.99: QB ALA 67 + QD1 ILE 56 OK 90 100 95 94 1.8-4.0 9528/3.0=43...(17) HG12 ILE 8 + QD1 ILE 8 OK 74 74 100 100 2.1-2.1 2.1=100 QB ALA 67 + QD1 ILE 8 OK 61 97 100 63 2.2-3.1 9527=19, 9528/8313=18...(17) HB2 LEU 70 - QD1 ILE 56 far 0 68 0 - 4.1-6.6 HG3 LYS 68 - QD1 ILE 56 far 0 96 0 - 4.2-9.0 HG12 ILE 8 - QD1 ILE 56 far 0 79 0 - 4.6-6.9 HB3 LEU 42 - QD1 ILE 56 far 0 75 0 - 5.5-7.1 HB3 ARG 30 - QD1 ILE 56 far 0 63 0 - 5.6-10.2 HB2 LEU 70 - QD1 ILE 8 far 0 63 0 - 6.0-7.6 HG2 LYS 39 - QD1 ILE 56 far 0 99 0 - 6.4-8.6 HB2 LYS 82 - QD1 ILE 8 far 0 96 0 - 6.5-7.5 HG3 LYS 68 - QD1 ILE 8 far 0 92 0 - 6.6-9.3 HG2 LYS 39 - QD1 ILE 8 far 0 95 0 - 6.9-9.9 HB3 ARG 30 - QD1 ILE 8 far 0 59 0 - 7.1-8.7 QB ALA 89 - QD1 ILE 8 far 0 97 0 - 7.1-9.0 HB2 LYS 82 - QD1 ILE 56 far 0 99 0 - 7.6-9.4 QB ALA 89 - QD1 ILE 56 far 0 100 0 - 7.9-9.8 HG3 LYS 40 - QD1 ILE 56 far 0 85 0 - 8.4-11.9 HB3 LEU 42 - QD1 ILE 8 far 0 70 0 - 8.4-9.8 HG3 LYS 40 - QD1 ILE 8 far 0 80 0 - 8.9-11.6 HG LEU 14 - QD1 ILE 8 far 0 91 0 - 9.1-11.1 HB3 LEU 27 - QD1 ILE 56 far 0 99 0 - 9.7-12.4 HG LEU 3 - QD1 ILE 56 far 0 68 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 10682 from cnoeabs.peaks (0.99, 0.71, 13.82 ppm; 3.60 A): 2 out of 10 assignments used, quality = 0.99: QG2 THR 80 + QD1 ILE 56 OK 98 98 100 100 1.9-4.5 12206/2.1=61...(28) QG2 THR 80 + QD1 ILE 8 OK 41 94 75 58 3.5-4.8 9734/2596=25...(6) HG LEU 55 - QD1 ILE 56 far 0 81 0 - 5.1-6.8 HB3 LEU 55 - QD1 ILE 56 far 0 68 0 - 5.2-7.0 QG2 VAL 83 - QD1 ILE 8 far 0 74 0 - 6.1-7.8 QG1 VAL 83 - QD1 ILE 8 far 0 89 0 - 6.8-8.6 HG LEU 55 - QD1 ILE 8 far 0 75 0 - 6.8-8.9 HB3 LEU 55 - QD1 ILE 8 far 0 63 0 - 7.8-9.8 QG1 VAL 83 - QD1 ILE 56 far 0 94 0 - 7.9-8.8 QG2 VAL 83 - QD1 ILE 56 far 0 79 0 - 8.1-8.7 Violated in 2 structures by 0.02 A. Peak 10687 from cnoeabs.peaks (5.12, 1.50, 26.28 ppm; 5.65 A): 1 out of 6 assignments used, quality = 0.98: HA ILE 7 + HG LEU 57 OK 98 98 100 100 4.3-5.2 8272/3.0=91, 9345/3.0=84...(21) HA VAL 5 - HG LEU 57 far 5 98 5 - 6.5-7.4 HA TYR 4 - HG3 ARG 30 far 2 40 5 - 6.4-9.1 HA VAL 5 - HG3 ARG 30 far 0 50 0 - 7.5-9.4 HA ILE 7 - HG3 ARG 30 far 0 49 0 - 9.5-10.2 HA SER 85 - HG LEU 57 far 0 94 0 - 9.6-10.7 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 2.9-4.4 8272/3.1=84, 9345/3.1=74...(21) HA VAL 5 + QD2 LEU 57 OK 94 98 100 96 3.7-5.3 9261/10217=51...(16) HA VAL 5 + QD1 LEU 6 OK 63 64 100 99 4.3-5.4 6059/4.6=79, 8222/3.1=35...(22) HA ILE 7 + QD1 LEU 6 OK 34 63 55 99 5.8-6.4 ~6076=57, 8220/3.1=55...(11) HA ILE 7 - QD2 LEU 38 poor 18 60 65 46 5.0-8.0 8305/316=15, 8303/308=11...(8) HA TYR 4 - QD1 LEU 6 far 5 51 10 - 6.0-7.1 HA VAL 5 - QD2 LEU 38 far 0 60 0 - 6.3-10.3 HA TYR 4 - QD2 LEU 57 far 0 85 0 - 7.2-9.0 HA LEU 3 - QD1 LEU 6 far 0 65 0 - 8.0-9.3 HA LEU 3 - QD2 LEU 57 far 0 99 0 - 9.0-10.4 HA TYR 4 - QD2 LEU 38 far 0 48 0 - 9.0-12.8 HA ILE 7 - QD1 LEU 70 far 0 57 0 - 9.2-12.8 HA SER 85 - QD2 LEU 57 far 0 94 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 10689 from cnoeabs.peaks (0.70, 5.39, 52.09 ppm; 3.99 A): 2 out of 14 assignments used, quality = 0.99: QG1 VAL 58 + HA LEU 57 OK 95 96 100 99 3.6-4.0 6954/6945=70, 10706=64...(15) QG2 VAL 58 + HA LEU 57 OK 78 79 100 99 3.6-4.1 6953/6945=60...(18) QD1 ILE 8 - HA LEU 57 poor 16 100 25 63 4.6-6.5 2600/3.0=21, ~10693=18...(8) HG3 ARG 81 - HA LEU 57 far 3 68 5 - 4.0-6.7 QG1 VAL 5 - HA LEU 57 far 0 90 0 - 5.0-6.0 QD1 LEU 64 - HA LEU 57 far 0 63 0 - 5.1-6.0 QD2 LEU 14 - HA LEU 57 far 0 100 0 - 5.6-6.3 QD1 ILE 56 - HA LEU 57 far 0 100 0 - 5.7-6.3 HG13 ILE 56 - HA LEU 57 far 0 99 0 - 6.4-6.9 QD1 LEU 14 - HA LEU 57 far 0 82 0 - 6.5-7.6 HG13 ILE 93 - HA LEU 57 far 0 59 0 - 6.7-9.4 QG2 VAL 78 - HA LEU 57 far 0 95 0 - 6.8-9.9 QD2 LEU 6 - HA LEU 57 far 0 94 0 - 8.0-8.7 QD1 LEU 42 - HA LEU 57 far 0 96 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10690 from cnoeabs.peaks (0.71, 1.20, 42.45 ppm; 4.54 A): 5 out of 15 assignments used, quality = 1.00: QG1 VAL 58 + HB2 LEU 57 OK 99 100 100 99 4.9-5.2 6954/6946=68...(12) QD2 LEU 14 + HB2 LEU 57 OK 94 100 100 94 3.5-4.5 10403/9819=74...(11) QG1 VAL 5 + HB2 LEU 57 OK 61 98 75 84 4.7-5.9 10695/3.0=31, 173/3.9=27...(14) QG2 VAL 58 + HB2 LEU 57 OK 59 61 100 96 5.0-5.3 4.0/6946=58, 3.2/9368=44...(10) QD1 LEU 14 + HB2 LEU 57 OK 38 65 70 83 4.6-5.9 10402/9819=43...(7) QD1 ILE 8 - HB2 LEU 57 far 10 100 10 - 5.1-7.3 HG3 ARG 81 - HB2 LEU 57 far 4 84 5 - 4.9-8.3 HG13 ILE 93 - HB2 LEU 57 far 0 77 0 - 5.7-8.1 QD1 ILE 56 - HB2 LEU 57 far 0 100 0 - 6.8-8.1 QD1 LEU 64 - HB2 LEU 57 far 0 81 0 - 7.0-8.0 QG2 ILE 93 - HB2 LEU 57 far 0 63 0 - 7.5-8.8 HG13 ILE 56 - HB2 LEU 57 far 0 100 0 - 7.8-8.8 QD2 LEU 6 - HB2 LEU 57 far 0 82 0 - 8.0-9.0 QG2 VAL 78 - HB2 LEU 57 far 0 99 0 - 8.6-11.4 QG1 VAL 78 - HB2 LEU 57 far 0 73 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 10691 from cnoeabs.peaks (0.71, 1.82, 42.45 ppm; 4.85 A): 5 out of 15 assignments used, quality = 1.00: QG1 VAL 58 + HB3 LEU 57 OK 98 99 100 100 4.7-5.3 10706/2.9=73...(11) QD2 LEU 14 + HB3 LEU 57 OK 98 100 100 98 3.9-4.9 12015/8284=65...(14) QG1 VAL 5 + HB3 LEU 57 OK 89 95 100 94 3.4-4.7 10695/3.0=34...(19) QD1 ILE 8 + HB3 LEU 57 OK 59 100 75 79 4.4-6.8 5.0/8289=51...(7) QG2 VAL 58 + HB3 LEU 57 OK 20 70 30 97 5.7-6.0 4.0/6947=61, ~10706=49...(9) HG13 ILE 93 - HB3 LEU 57 poor 17 70 25 - 5.0-7.3 QD1 LEU 14 - HB3 LEU 57 far 11 73 15 - 5.4-7.1 QD1 ILE 56 - HB3 LEU 57 far 10 100 10 - 5.6-7.5 HG3 ARG 81 - HB3 LEU 57 far 0 77 0 - 6.3-9.2 QD2 LEU 6 - HB3 LEU 57 far 0 88 0 - 6.6-7.6 HG13 ILE 56 - HB3 LEU 57 far 0 100 0 - 6.7-7.8 QD1 LEU 64 - HB3 LEU 57 far 0 73 0 - 7.7-8.5 QG2 VAL 78 - HB3 LEU 57 far 0 98 0 - 7.8-10.7 QG1 VAL 78 - HB3 LEU 57 far 0 65 0 - 7.9-11.2 QD1 LEU 42 - HB3 LEU 57 far 0 91 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 10695 from cnoeabs.peaks (0.71, 1.50, 26.28 ppm; 4.11 A): 4 out of 24 assignments used, quality = 0.95: QG1 VAL 5 + HG LEU 57 OK 82 95 100 87 3.3-4.4 8195/10214=41...(17) QD2 LEU 6 + HG3 ARG 30 OK 41 42 100 98 3.4-4.2 8717/2.9=53, 8722/3.0=45...(18) QD2 LEU 14 + HG LEU 57 OK 37 100 45 83 4.5-5.7 10403/9817=47...(11) HG13 ILE 93 + HG LEU 57 OK 29 70 85 49 3.3-6.1 10019/10214=20...(10) HG3 ARG 81 - HG LEU 57 far 0 77 0 - 5.4-8.1 QD1 LEU 14 - HG LEU 57 far 0 73 0 - 5.6-6.9 QG1 VAL 58 - HG LEU 57 far 0 99 0 - 6.5-6.9 QG1 VAL 5 - HG3 ARG 30 far 0 47 0 - 6.5-8.3 QD1 ILE 8 - HG LEU 57 far 0 100 0 - 6.5-8.7 QG2 VAL 58 - HG LEU 57 far 0 70 0 - 6.6-7.1 QD1 ILE 56 - HG LEU 57 far 0 100 0 - 6.9-8.6 QD1 ILE 56 - HG3 ARG 30 far 0 53 0 - 7.7-11.3 QD2 LEU 6 - HG LEU 57 far 0 88 0 - 7.8-8.9 HG13 ILE 56 - HG LEU 57 far 0 100 0 - 7.9-9.3 QD1 LEU 64 - HG LEU 57 far 0 73 0 - 8.0-9.0 QD1 ILE 52 - HG3 ARG 30 far 0 48 0 - 8.2-10.7 QG1 VAL 78 - HG LEU 57 far 0 65 0 - 8.3-11.6 QG2 VAL 78 - HG LEU 57 far 0 98 0 - 8.3-11.3 HG13 ILE 56 - HG3 ARG 30 far 0 53 0 - 8.9-12.4 QD1 LEU 42 - HG3 ARG 30 far 0 43 0 - 9.0-11.2 QD2 LEU 27 - HG3 ARG 30 far 0 44 0 - 9.0-12.0 QD1 ILE 8 - HG3 ARG 30 far 0 53 0 - 9.1-10.7 QG1 VAL 78 - HG3 ARG 30 far 0 28 0 - 9.3-12.1 QG2 VAL 78 - HG3 ARG 30 far 0 50 0 - 9.8-11.6 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 46 assignments used, quality = 0.95: QD2 LEU 6 + QD1 LEU 6 OK 66 66 100 100 1.9-2.1 2.1=100 QG1 VAL 5 + QD2 LEU 57 OK 39 75 100 51 1.8-3.4 2.1/9364=13...(12) QD1 ILE 8 + QD2 LEU 38 OK 38 59 100 65 1.8-3.3 324=18, 12201/2.1=11...(14) QD1 ILE 56 + QD1 LEU 6 OK 35 64 80 68 1.9-4.7 324=22, ~10676=11...(16) QD1 LEU 42 + QD1 LEU 70 OK 29 60 65 73 2.7-3.9 9544/3.1=26, 9543/3.1=25...(12) HG13 ILE 56 + QD1 LEU 6 OK 22 58 55 68 2.1-4.7 10676/3.1=15, 2.1/324=14...(15) QD1 ILE 56 - QD2 LEU 38 poor 15 60 70 35 1.9-5.1 12202/3.1=6, 12201/2.1=5...(10) HG13 ILE 56 - QD2 LEU 38 poor 14 55 25 - 2.5-6.5 QD2 LEU 6 - QD2 LEU 38 poor 6 62 40 26 2.4-6.8 8207/14617=4, ~12070=3...(12) QD1 LEU 42 - QD1 LEU 6 far 3 67 5 - 3.3-4.8 QD1 ILE 8 - QD1 LEU 6 far 0 62 0 - 3.7-4.8 QD1 LEU 42 - QD2 LEU 38 far 0 63 0 - 3.7-4.5 QG1 VAL 58 - QD2 LEU 38 far 0 48 0 - 3.8-4.7 QD1 ILE 56 - QD1 LEU 70 far 0 57 0 - 4.0-6.9 QD1 ILE 8 - QD1 LEU 70 far 0 56 0 - 4.0-7.5 QG2 VAL 78 - QD1 LEU 6 far 0 50 0 - 4.0-5.3 QD1 ILE 56 - QD2 LEU 57 far 0 98 0 - 4.3-5.7 HG13 ILE 56 - QD2 LEU 57 far 0 93 0 - 4.7-6.0 QG2 VAL 78 - QD2 LEU 38 far 0 47 0 - 4.7-7.7 QD1 ILE 8 - QD2 LEU 57 far 0 97 0 - 4.8-6.7 QD2 LEU 14 - QD2 LEU 57 far 0 98 0 - 4.8-5.8 QG2 VAL 58 - QD2 LEU 57 far 0 92 0 - 4.8-6.2 QG1 VAL 58 - QD2 LEU 57 far 0 85 0 - 4.8-5.3 QG1 VAL 5 - QD1 LEU 6 far 0 44 0 - 5.0-5.7 QD2 LEU 6 - QD2 LEU 57 far 0 99 0 - 5.2-7.1 QG2 VAL 58 - QD2 LEU 38 far 0 54 0 - 5.4-6.6 QG1 VAL 58 - QD1 LEU 70 far 0 46 0 - 5.4-8.8 QG2 VAL 78 - QD2 LEU 57 far 0 84 0 - 5.5-7.7 QG1 VAL 58 - QD1 LEU 6 far 0 51 0 - 5.8-6.7 QG1 VAL 5 - QD2 LEU 38 far 0 41 0 - 5.8-9.3 QG2 VAL 78 - QD1 LEU 70 far 0 45 0 - 5.9-7.3 HG13 ILE 56 - QD1 LEU 70 far 0 52 0 - 5.9-9.9 QD1 LEU 14 - QD2 LEU 57 far 0 94 0 - 6.1-7.2 QD1 ILE 52 - QD1 LEU 6 far 0 68 0 - 6.3-7.6 QD2 LEU 6 - QD1 LEU 70 far 0 59 0 - 6.7-8.4 QG2 VAL 58 - QD1 LEU 70 far 0 51 0 - 6.9-10.2 QG2 VAL 58 - QD1 LEU 6 far 0 57 0 - 7.5-8.4 QD2 LEU 27 - QD2 LEU 57 far 0 70 0 - 7.5-8.9 QD2 LEU 14 - QD2 LEU 38 far 0 60 0 - 7.9-9.9 QD1 LEU 42 - QD2 LEU 57 far 0 100 0 - 8.1-9.5 QD2 LEU 27 - QD1 LEU 6 far 0 40 0 - 8.4-9.9 QD2 LEU 14 - QD1 LEU 6 far 0 63 0 - 8.6-9.7 QD1 ILE 52 - QD2 LEU 38 far 0 64 0 - 8.9-11.6 QD1 LEU 14 - QD2 LEU 38 far 0 56 0 - 9.3-11.5 QG1 VAL 5 - QD1 LEU 70 far 0 39 0 - 9.4-12.7 QD1 ILE 52 - QD2 LEU 57 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10697 from cnoeabs.peaks (3.90, 0.80, 25.48 ppm; 3.74 A): 5 out of 31 assignments used, quality = 0.99: HA ALA 89 + QD2 LEU 57 OK 90 100 95 95 4.0-4.7 10698/2.1=49, 9929=31...(16) HA GLU 35 + QD2 LEU 38 OK 48 57 95 88 1.9-4.7 10168/2.1=36...(17) HA GLU 35 + QD1 LEU 70 OK 46 54 95 90 2.0-5.1 10609=31, 3.0/10527=20...(26) HA LEU 38 + QD2 LEU 38 OK 44 44 100 100 1.9-4.1 3.8=93, 1659/2.1=31...(25) HA LEU 38 + QD1 LEU 6 OK 25 46 100 54 2.1-3.6 1623/8869=19...(9) HA TYR 41 - QD1 LEU 6 poor 18 53 35 - 4.2-4.9 HA LEU 38 - QD1 LEU 70 poor 8 41 20 - 4.2-6.7 HA GLU 63 - QD2 LEU 38 far 6 61 10 - 4.3-6.8 HA GLU 63 - QD1 LEU 70 far 0 58 0 - 5.4-8.6 HA LYS 40 - QD1 LEU 6 far 0 35 0 - 6.5-7.5 HA TYR 41 - QD2 LEU 38 far 0 49 0 - 6.5-9.0 HA GLU 35 - QD1 LEU 6 far 0 61 0 - 6.6-7.9 HA LYS 40 - QD1 LEU 70 far 0 30 0 - 6.7-8.4 HA GLU 43 - QD1 LEU 6 far 0 57 0 - 7.0-8.6 HB3 SER 9 - QD2 LEU 57 far 0 88 0 - 7.1-9.1 HA LYS 40 - QD2 LEU 38 far 0 32 0 - 7.7-8.2 HB2 SER 102 - QD2 LEU 57 far 0 99 0 - 7.7-14.3 HA GLU 44 - QD1 LEU 6 far 0 40 0 - 7.8-9.1 HA ARG 91 - QD2 LEU 57 far 0 96 0 - 8.0-9.1 HA LYS 94 - QD2 LEU 57 far 0 63 0 - 8.1-9.2 HA GLU 43 - QD1 LEU 70 far 0 51 0 - 8.2-10.0 HB3 SER 9 - QD2 LEU 38 far 0 51 0 - 8.3-10.4 HA TYR 41 - QD1 LEU 70 far 0 47 0 - 8.3-10.1 HA LEU 38 - QD2 LEU 57 far 0 79 0 - 8.6-9.9 HA2 GLY 101 - QD2 LEU 57 far 0 63 0 - 8.7-15.0 HA GLU 63 - QD1 LEU 6 far 0 64 0 - 8.9-10.3 HA GLU 43 - QD2 LEU 38 far 0 54 0 - 9.5-10.7 HB2 SER 85 - QD2 LEU 57 far 0 100 0 - 9.7-10.7 HA3 GLY 101 - QD2 LEU 57 far 0 99 0 - 9.7-14.9 HA GLU 63 - QD2 LEU 57 far 0 99 0 - 9.7-10.6 HB3 SER 9 - QD1 LEU 6 far 0 54 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 10698 from cnoeabs.peaks (3.89, 0.83, 23.91 ppm; 3.98 A): 2 out of 18 assignments used, quality = 0.99: HA ALA 89 + QD1 LEU 57 OK 98 99 100 99 1.9-4.3 3.0/9926=48...(17) HA GLU 35 + QD2 LEU 70 OK 26 58 50 89 3.5-6.4 10609/2.1=28...(23) HA ALA 67 - QD2 LEU 70 poor 7 28 25 - 4.2-5.5 HA LEU 38 - QD2 LEU 70 far 0 50 0 - 5.5-7.9 HB2 SER 102 - QD1 LEU 57 far 0 100 0 - 6.4-15.9 HB3 SER 9 - QD1 LEU 57 far 0 71 0 - 6.5-9.2 HA GLU 63 - QD2 LEU 70 far 0 48 0 - 6.7-8.7 HA LYS 40 - QD2 LEU 70 far 0 40 0 - 7.0-9.4 HB2 SER 85 - QD1 LEU 57 far 0 99 0 - 7.1-9.6 HA ARG 91 - QD1 LEU 57 far 0 100 0 - 7.3-8.6 HA GLU 43 - QD2 LEU 70 far 0 56 0 - 8.0-10.5 HA LYS 94 - QD1 LEU 57 far 0 82 0 - 8.6-9.5 HA ALA 67 - QD1 LEU 57 far 0 59 0 - 8.6-10.7 HA2 GLY 101 - QD1 LEU 57 far 0 82 0 - 8.7-16.6 HA3 GLY 101 - QD1 LEU 57 far 0 100 0 - 9.2-16.5 HA TYR 41 - QD2 LEU 70 far 0 34 0 - 9.2-11.1 HA GLU 63 - QD1 LEU 57 far 0 91 0 - 9.7-10.2 HA LEU 38 - QD1 LEU 57 far 0 93 0 - 9.7-11.7 Violated in 1 structures by 0.00 A. Peak 10699 from cnoeabs.peaks (1.77, 5.25, 58.24 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + HA VAL 58 OK 100 100 100 100 3.9-4.7 10233/3.0=80...(30) HB ILE 56 - HA VAL 58 far 0 98 0 - 6.2-7.0 HB3 LYS 82 - HA VAL 58 far 0 99 0 - 6.7-7.5 HB2 GLU 88 - HA VAL 58 far 0 70 0 - 9.0-10.2 HB2 LYS 66 - HA VAL 58 far 0 99 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 10700 from cnoeabs.peaks (2.20, 2.60, 33.16 ppm; 4.02 A): 1 out of 10 assignments used, quality = 1.00: HB2 GLU 63 + HB VAL 58 OK 100 100 100 100 2.1-3.4 10236=81, 1.8/9375=77...(29) HG2 GLU 43 - HG3 MET 74 far 6 62 10 - 4.3-6.9 HG3 GLU 75 - HG3 MET 74 far 0 49 0 - 5.8-8.3 HG2 GLU 75 - HG3 MET 74 far 0 46 0 - 6.3-9.1 HB3 GLU 75 - HG3 MET 74 far 0 63 0 - 6.4-7.6 HB3 GLN 72 - HG3 MET 74 far 0 37 0 - 6.8-8.7 HB2 GLN 72 - HG3 MET 74 far 0 35 0 - 7.5-9.1 HG3 GLU 35 - HG3 MET 74 far 0 66 0 - 7.6-12.6 HG2 GLU 35 - HG3 MET 74 far 0 66 0 - 8.3-11.6 HG2 GLU 35 - HB VAL 58 far 0 100 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 10701 from cnoeabs.peaks (1.89, 2.60, 33.16 ppm; 4.45 A): 2 out of 10 assignments used, quality = 1.00: HB ILE 8 + HB VAL 58 OK 100 100 100 100 2.7-4.0 10224/2.1=92...(26) HG LEU 42 + HG3 MET 74 OK 29 66 45 99 4.0-8.6 10340/3.4=60, ~9615=52...(20) HB3 LYS 39 - HG3 MET 74 poor 11 44 25 - 4.9-7.1 HB2 GLU 43 - HG3 MET 74 far 0 61 0 - 6.5-8.5 HB3 LYS 66 - HB VAL 58 far 0 75 0 - 6.8-7.7 HB VAL 54 - HG3 MET 74 far 0 65 0 - 7.9-12.8 HB3 LYS 68 - HB VAL 58 far 0 91 0 - 8.4-11.2 HB3 LEU 14 - HB VAL 58 far 0 99 0 - 9.4-10.8 HB3 LYS 68 - HG3 MET 74 far 0 54 0 - 9.8-13.6 HB2 LYS 33 - HB VAL 58 far 0 85 0 - 10.0-13.4 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 17 assignments used, quality = 0.99: QG2 ILE 8 + HB VAL 58 OK 93 93 100 100 3.4-4.5 10703/3.0=73...(27) QD1 ILE 76 + HG3 MET 74 OK 65 65 100 100 2.7-4.3 10880/1.8=50...(25) QD2 LEU 70 + HG3 MET 74 OK 44 66 85 78 4.0-6.8 9614/1.8=27, ~10276=20...(13) QD2 LEU 42 - HG3 MET 74 poor 18 32 55 - 2.3-6.6 QD1 LEU 70 - HG3 MET 74 poor 13 63 20 - 4.0-7.6 QD2 LEU 38 - HB VAL 58 far 0 95 0 - 6.0-7.2 QD1 LEU 57 - HB VAL 58 far 0 90 0 - 6.5-6.9 QD1 LEU 6 - HG3 MET 74 far 0 37 0 - 6.7-10.6 QD2 LEU 57 - HB VAL 58 far 0 99 0 - 6.9-7.6 QD2 LEU 38 - HG3 MET 74 far 0 58 0 - 7.1-10.6 QG2 ILE 7 - HB VAL 58 far 0 100 0 - 7.2-8.1 QG2 VAL 32 - HB VAL 58 far 0 84 0 - 7.4-9.0 QG2 ILE 52 - HG3 MET 74 far 0 47 0 - 7.5-10.8 QD1 LEU 70 - HB VAL 58 far 0 99 0 - 8.1-11.6 QG2 VAL 32 - HG3 MET 74 far 0 49 0 - 8.7-11.8 QD1 LEU 6 - HB VAL 58 far 0 68 0 - 8.8-10.1 QD2 LEU 70 - HB VAL 58 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 10703 from cnoeabs.peaks (0.81, 5.25, 58.24 ppm; 3.97 A): 1 out of 8 assignments used, quality = 0.87: QG2 ILE 8 + HA VAL 58 OK 87 87 100 100 3.5-4.1 2.1/9374=80, 8302=54...(26) QD1 LEU 57 - HA VAL 58 far 0 95 0 - 5.1-5.7 QG2 ILE 7 - HA VAL 58 far 0 98 0 - 5.5-6.1 QD2 LEU 57 - HA VAL 58 far 0 96 0 - 5.7-6.0 QD2 LEU 38 - HA VAL 58 far 0 98 0 - 5.8-7.7 QG2 VAL 32 - HA VAL 58 far 0 91 0 - 6.9-8.0 QG2 ILE 15 - HA VAL 58 far 0 100 0 - 8.1-9.6 QD1 LEU 70 - HA VAL 58 far 0 100 0 - 8.6-12.6 Violated in 4 structures by 0.02 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 3.4-4.6 1.8/10716=89...(24) HB2 ASP 61 - QG1 VAL 58 far 0 100 0 - 7.8-8.4 HG3 GLN 72 - QG1 VAL 58 far 0 77 0 - 9.9-12.0 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 3.6-4.1 6945/6953=87...(18) 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 96 100 100 3.6-4.0 6945/6954=81...(17) Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (7.73, 5.25, 58.24 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: H ASN 60 + HA VAL 58 OK 100 100 100 100 4.0-4.3 9422=100, 6967/6958=87...(13) H LEU 64 - HA VAL 58 far 0 98 0 - 5.7-6.5 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 5 assignments used, quality = 1.00: H ASN 60 + HB VAL 58 OK 100 100 100 100 2.3-3.0 9410=100, 6967/6959=68...(19) H LEU 64 + HB VAL 58 OK 99 100 100 100 3.3-4.3 9467/2.1=49...(17) H MET 74 + HG3 MET 74 OK 53 53 100 100 2.9-3.8 7228/1.8=71, 7229=69...(19) H VAL 78 - HG3 MET 74 far 0 44 0 - 8.3-12.0 H SER 85 - HB VAL 58 far 0 65 0 - 9.5-10.5 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 2.9-3.7 9803=97, 7343/10228=73...(15) 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 3.4-4.0 9755=99, 3.0/10228=89...(18) 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 5.3-6.0 9755/2.1=99, 3.0/9386=88...(9) H ARG 81 + QG1 VAL 58 OK 59 59 100 99 3.8-5.3 4.2/10223=91...(11) 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 1 assignment used, quality = 1.00: H LEU 57 + QG1 VAL 58 OK 100 100 100 100 3.7-4.2 3.0/10706=85...(15) Violated in 0 structures by 0.00 A. Peak 10716 from cnoeabs.peaks (2.28, 0.72, 21.78 ppm; 4.56 A): 1 out of 6 assignments used, quality = 0.95: HG2 GLU 63 + QG1 VAL 58 OK 95 95 100 100 3.1-4.8 3.0/9381=72...(25) HG2 GLU 62 - QG1 VAL 58 far 0 96 0 - 6.2-8.8 HG3 GLU 62 - QG1 VAL 58 far 0 96 0 - 6.3-8.9 HD3 ARG 81 - QG1 VAL 58 far 0 77 0 - 7.3-9.0 HG2 GLU 37 - QG1 VAL 58 far 0 92 0 - 8.4-10.9 HB2 TYR 41 - QG1 VAL 58 far 0 65 0 - 9.1-10.8 Violated in 4 structures by 0.02 A. Peak 10717 from cnoeabs.peaks (2.30, 0.68, 19.32 ppm; 5.69 A): 1 out of 4 assignments used, quality = 1.00: HG2 GLU 63 + QG2 VAL 58 OK 100 100 100 100 3.8-5.2 3.0/10220=91...(22) HD3 ARG 81 - QG2 VAL 58 poor 20 98 20 - 6.1-7.3 HG3 GLU 62 - QG2 VAL 58 far 4 71 5 - 6.6-8.5 HG2 GLU 62 - QG2 VAL 58 far 0 71 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 10718 from cnoeabs.peaks (2.29, 2.60, 33.16 ppm; 5.20 A): 1 out of 6 assignments used, quality = 0.99: HG2 GLU 63 + HB VAL 58 OK 99 99 100 100 3.0-4.4 3.0/9375=88...(20) HG3 GLU 43 - HG3 MET 74 poor 16 37 55 80 3.8-7.1 10280/3.4=45, ~1557=20...(9) HG2 GLU 62 - HB VAL 58 far 0 87 0 - 6.7-9.7 HG3 GLU 62 - HB VAL 58 far 0 87 0 - 7.1-9.8 HB2 TYR 41 - HG3 MET 74 far 0 47 0 - 7.4-11.4 HD3 ARG 81 - HB VAL 58 far 0 91 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10720 from cnoeabs.peaks (8.39, 0.72, 21.78 ppm; 5.17 A): 1 out of 3 assignments used, quality = 1.00: H GLU 63 + QG1 VAL 58 OK 100 100 100 100 4.2-4.8 2.9/10226=76...(18) H GLU 62 - QG1 VAL 58 far 0 96 0 - 6.2-6.9 H THR 80 - QG1 VAL 58 far 0 82 0 - 6.3-7.7 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 2.5-3.6 9772=98, 7354/10728=52...(8) 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 3.8-4.9 7343/10721=76...(10) Violated in 2 structures by 0.02 A. Peak 10726 from cnoeabs.peaks (0.70, 5.06, 59.32 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.79: QG2 VAL 58 + HA SER 59 OK 79 79 100 100 3.3-4.1 6960/3.0=51...(20) QD1 LEU 14 - HA SER 59 far 4 82 5 - 4.8-5.6 QD2 LEU 14 - HA SER 59 far 0 100 0 - 4.9-5.9 QG1 VAL 58 - HA SER 59 far 0 96 0 - 5.4-5.5 QD1 ILE 8 - HA SER 59 far 0 100 0 - 6.6-7.9 QD1 LEU 64 - HA SER 59 far 0 63 0 - 7.2-7.9 HG3 ARG 81 - HA SER 59 far 0 68 0 - 7.7-11.7 QG1 VAL 5 - HA SER 59 far 0 90 0 - 9.9-11.1 Violated in 7 structures by 0.02 A. Peak 10727 from cnoeabs.peaks (1.12, 5.06, 59.32 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.95: HG3 LYS 82 + HA SER 59 OK 95 96 100 100 2.1-3.6 1.8/10935=68, 10937=66...(9) Violated in 0 structures by 0.00 A. Peak 10728 from cnoeabs.peaks (0.98, 5.06, 59.32 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.94: QG2 VAL 83 + HA SER 59 OK 94 96 100 97 3.2-4.1 7354/10721=56, 9784=40...(9) QG1 VAL 83 - HA SER 59 far 0 73 0 - 5.1-5.7 QG2 THR 80 - HA SER 59 far 0 100 0 - 7.3-8.6 Violated in 5 structures by 0.02 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 3.9-4.6 7049/9449=64...(11) Violated in 4 structures by 0.02 A. Peak 10737 from cnoeabs.peaks (7.72, 2.73, 40.38 ppm; 5.54 A): 2 out of 4 assignments used, quality = 1.00: H LEU 64 + HB3 ASP 61 OK 99 100 100 100 5.3-6.1 9470/3.0=93...(12) H LEU 64 + HB2 ASP 65 OK 75 75 100 100 4.2-5.6 7047/7055=90...(14) H ASN 60 - HB3 ASP 61 poor 15 100 40 38 6.2-7.5 9435/7004=30...(3) H ASN 60 - HB2 ASP 65 far 0 75 0 - 8.1-9.3 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...(9) H ASN 60 - HA GLU 62 far 0 99 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 10743 from cnoeabs.peaks (4.35, 4.12, 59.59 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.96: HA ASP 61 + HA GLU 62 OK 96 97 100 99 4.7-4.8 9470/7028=49...(14) HA ASP 65 - HA GLU 62 poor 18 61 30 - 5.1-5.9 Violated in 20 structures by 0.21 A. Peak 10744 from cnoeabs.peaks (0.78, 2.20, 29.93 ppm; 4.76 A): 1 out of 10 assignments used, quality = 1.00: QG2 ILE 8 + HB2 GLU 63 OK 100 100 100 100 2.0-3.6 10745/3.0=61...(19) QD2 LEU 38 - HB2 GLU 63 lone 6 57 65 17 4.7-6.0 324/8308=12, 10745/3.0=3, 9548=1 QD1 LEU 70 - HB2 GLU 63 far 0 71 0 - 6.4-9.8 QG2 ILE 7 - HB2 GLU 63 far 0 96 0 - 7.7-8.7 QD1 LEU 6 - HB2 GLU 63 far 0 98 0 - 7.9-9.6 QD2 LEU 57 - HB2 GLU 63 far 0 98 0 - 8.2-9.1 QD2 LEU 70 - HB2 GLU 63 far 0 85 0 - 8.2-10.0 QD1 ILE 15 - HB2 GLU 63 far 0 88 0 - 8.7-10.0 QG1 VAL 78 - HB2 GLU 63 far 0 63 0 - 9.5-11.7 QD2 LEU 42 - HB2 GLU 63 far 0 96 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10745 from cnoeabs.peaks (0.80, 3.91, 58.27 ppm; 4.26 A): 1 out of 10 assignments used, quality = 0.89: QG2 ILE 8 + HA GLU 63 OK 89 97 95 96 3.5-5.2 10746/3.0=55...(12) QD2 LEU 38 - HA GLU 63 lone 4 90 25 20 4.3-6.8 9519/7080=7, 9516/2771=5...(5) QD1 LEU 70 - HA GLU 63 far 0 96 0 - 5.4-8.6 QD2 LEU 70 - HA GLU 63 far 0 100 0 - 6.7-8.7 QG2 VAL 32 - HA GLU 63 far 0 75 0 - 7.7-9.2 QD1 LEU 6 - HA GLU 63 far 0 77 0 - 8.9-10.3 QG2 ILE 7 - HA GLU 63 far 0 100 0 - 9.6-10.6 QD1 LEU 57 - HA GLU 63 far 0 82 0 - 9.7-10.2 QD2 LEU 57 - HA GLU 63 far 0 100 0 - 9.7-10.6 QD2 LEU 42 - HA GLU 63 far 0 70 0 - 9.9-11.1 Violated in 11 structures by 0.20 A. Peak 10746 from cnoeabs.peaks (0.81, 1.78, 29.93 ppm; 4.56 A): 1 out of 9 assignments used, quality = 0.88: QG2 ILE 8 + HB3 GLU 63 OK 88 88 100 100 3.3-4.7 10745/3.0=65...(17) QD2 LEU 38 - HB3 GLU 63 far 0 98 0 - 6.0-7.4 QD1 LEU 70 - HB3 GLU 63 far 0 100 0 - 7.3-10.8 QG2 VAL 32 - HB3 GLU 63 far 0 90 0 - 7.9-9.7 QD1 LEU 57 - HB3 GLU 63 far 0 94 0 - 8.0-8.5 QG2 ILE 7 - HB3 GLU 63 far 0 99 0 - 8.4-9.5 QD2 LEU 57 - HB3 GLU 63 far 0 97 0 - 8.4-9.2 QD2 LEU 70 - HB3 GLU 63 far 0 100 0 - 9.0-10.9 QD1 LEU 6 - HB3 GLU 63 far 0 59 0 - 9.0-10.9 Violated in 2 structures by 0.01 A. Peak 10747 from cnoeabs.peaks (1.50, 1.78, 29.93 ppm; 4.60 A): 1 out of 7 assignments used, quality = 0.99: HB3 LEU 64 + HB3 GLU 63 OK 99 100 100 99 4.4-4.7 7037/7032=70...(13) HD2 LYS 82 - HB3 GLU 63 poor 15 61 35 71 4.7-6.5 2.9/3673=27...(8) HG2 LYS 66 - HB3 GLU 63 far 0 100 0 - 5.9-8.7 HG LEU 64 - HB3 GLU 63 far 0 95 0 - 6.4-6.7 HG3 LYS 66 - HB3 GLU 63 far 0 100 0 - 6.6-8.4 HG LEU 38 - HB3 GLU 63 far 0 61 0 - 7.3-10.5 HG12 ILE 56 - HB3 GLU 63 far 0 70 0 - 9.0-10.7 Violated in 16 structures by 0.04 A. Peak 10748 from cnoeabs.peaks (1.34, 1.78, 29.93 ppm; 5.18 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 67 + HB3 GLU 63 OK 97 100 100 98 4.3-5.3 ~7080=44, ~10750=44...(13) HB2 LYS 82 + HB3 GLU 63 OK 91 100 95 95 5.1-6.6 9416/9414=56...(12) HG12 ILE 8 - HB3 GLU 63 far 5 91 5 - 6.1-7.9 HG3 LYS 68 - HB3 GLU 63 far 0 100 0 - 8.2-10.4 QB ALA 89 - HB3 GLU 63 far 0 100 0 - 9.4-11.1 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 2 assignments used, quality = 0.99: H ALA 67 + HA GLU 63 OK 99 99 100 100 3.8-4.3 7080=99, 7077/7061=77...(14) H VAL 32 - HA GLU 63 far 0 99 0 - 9.6-11.7 Violated in 0 structures by 0.00 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 4.2-5.0 7046=99, 7047/3.6=93...(13) H GLU 69 - HA GLU 63 far 0 84 0 - 7.5-8.2 H LEU 70 - HA GLU 63 far 0 73 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 10752 from cnoeabs.peaks (8.81, 1.78, 29.93 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.94: H SER 59 + HB3 GLU 63 OK 94 94 100 100 3.1-3.6 9399=91, 9401/1.8=85...(12) H ILE 8 - HB3 GLU 63 far 5 94 5 - 6.0-7.3 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 3.8-4.7 9401=100, 9399/1.8=95...(10) H ILE 8 + HB2 GLU 63 OK 78 100 80 98 5.5-6.3 8298/9373=62...(5) Violated in 0 structures by 0.00 A. Peak 10754 from cnoeabs.peaks (8.42, 0.74, 24.36 ppm; 5.51 A): 1 out of 3 assignments used, quality = 1.00: H THR 80 + QD1 LEU 64 OK 100 100 100 100 4.2-4.8 7306/9724=95...(7) H GLU 63 - QD1 LEU 64 far 0 73 0 - 6.4-6.7 H GLU 62 - QD1 LEU 64 far 0 99 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 10755 from cnoeabs.peaks (8.54, 0.74, 24.36 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.99: H VAL 58 + QD1 LEU 64 OK 99 100 100 99 4.4-5.2 9372/9486=74...(9) H ASP 61 - QD1 LEU 64 far 0 73 0 - 7.0-7.7 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 3.6-4.3 3.0/9724=91...(17) 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 4.3-5.7 7055/7049=93, ~9501=42...(25) HB3 ASP 61 + HB2 LEU 64 OK 80 81 100 100 4.5-5.7 3.0/9449=90, ~9481=47...(14) HE2 LYS 82 + HB2 LEU 64 OK 50 70 75 97 2.7-6.7 ~10940=37, 4.8/12220=36...(15) 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 2.0-3.3 10252/3.1=74, ~10253=45...(27) QB ALA 67 + HB3 LEU 64 OK 96 97 100 99 4.3-4.6 2981/3.0=72...(18) HG3 LYS 68 - HB3 LEU 64 far 10 100 10 - 5.2-7.9 HG12 ILE 8 - HB3 LEU 64 far 0 98 0 - 8.4-9.8 QB ALA 89 - HB3 LEU 64 far 0 98 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 10759 from cnoeabs.peaks (1.77, 3.75, 58.94 ppm; 5.01 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + HA LEU 64 OK 100 100 100 100 3.9-4.5 7032/3.0=82...(13) HB ILE 56 + HA LEU 64 OK 95 99 100 96 4.7-5.7 9328/9476=66...(6) HB3 LYS 82 + HA LEU 64 OK 25 99 25 100 5.6-7.1 9759/9475=70...(15) HB2 LYS 66 - HA LEU 64 far 0 100 0 - 6.2-7.2 HB VAL 78 - HA LEU 64 far 0 99 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (0.97, 2.11, 41.70 ppm; 5.54 A): 1 out of 3 assignments used, quality = 1.00: QG2 THR 80 + HB2 LEU 64 OK 100 100 100 100 3.9-4.7 10762/3.1=96...(21) QG2 VAL 83 - HB2 LEU 64 far 0 99 0 - 7.6-8.6 QG1 VAL 83 - HB2 LEU 64 far 0 63 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 10761 from cnoeabs.peaks (0.96, 1.49, 41.70 ppm; 5.71 A): 1 out of 4 assignments used, quality = 0.96: QG2 THR 80 + HB3 LEU 64 OK 96 96 100 100 2.8-3.7 9476/3.0=94...(24) QG2 VAL 83 - HB3 LEU 64 far 5 100 5 - 6.6-7.6 HB2 ARG 81 - HB3 LEU 64 far 4 73 5 - 6.5-7.9 HG LEU 55 - HB3 LEU 64 far 0 100 0 - 9.2-10.5 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 = 1.00: QG2 THR 80 + QD1 LEU 64 OK 100 100 100 100 1.7-2.1 2.1/9724=62...(33) QG1 VAL 83 - QD1 LEU 64 far 0 81 0 - 5.8-6.8 QG2 VAL 83 - QD1 LEU 64 far 0 93 0 - 6.6-7.5 HG LEU 55 - QD1 LEU 64 far 0 94 0 - 7.2-8.5 QG2 VAL 5 - QD1 LEU 64 far 0 65 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 10763 from cnoeabs.peaks (2.10, 2.64, 40.20 ppm; 4.88 A): 4 out of 7 assignments used, quality = 0.97: HG2 GLU 69 + HB3 ASP 65 OK 71 88 100 81 3.6-5.6 3110/9538=41...(9) HB2 LEU 64 + HB3 ASP 65 OK 64 99 65 100 4.4-5.9 7049/7056=90, ~9501=41...(23) HB2 GLU 69 + HB3 ASP 65 OK 50 88 70 82 4.6-6.7 4.0/9538=45...(9) HB3 GLU 62 + HB3 ASP 65 OK 37 96 40 97 5.3-6.3 3.0/2864=82, ~2858=47...(7) HB3 GLU 69 - HB3 ASP 65 far 0 88 0 - 5.9-8.0 HB2 GLU 75 - HB3 ASP 77 far 0 71 0 - 7.6-8.9 HB3 GLU 35 - HB3 ASP 65 far 0 88 0 - 7.9-11.3 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 4.8-4.9 7099/7100=75...(24) HA LYS 68 + HA ASP 65 OK 63 63 100 100 5.2-5.8 2.9/7100=90, 3.6/7118=75...(20) 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 3 assignments used, quality = 0.98: HA ILE 76 + HB3 ASP 77 OK 98 99 100 99 4.5-4.7 7262/7270=76...(12) HA GLN 50 - HB3 ASP 77 far 0 73 0 - 6.6-8.8 HA GLU 48 - HB3 ASP 77 far 0 99 0 - 9.3-11.7 Violated in 20 structures by 0.12 A. Peak 10771 from cnoeabs.peaks (8.78, 2.63, 40.23 ppm; 5.07 A): 0 out of 1 assignment used, quality = 0.00: H SER 59 - HB3 ASP 65 far 0 93 0 - 9.7-11.1 Violated in 20 structures by 5.46 A. Peak 10772 from cnoeabs.peaks (8.48, 4.31, 57.27 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: H ALA 67 + HA ASP 65 OK 100 100 100 100 4.1-4.8 7077/3.6=90...(16) H ALA 67 - HA ASP 36 far 0 48 0 - 9.7-12.5 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 4.1-4.5 7102=88, 7103/3.6=82...(11) H GLU 43 - HA ARG 46 far 0 87 0 - 6.8-7.5 H ASP 36 - HA LYS 66 far 0 100 0 - 8.6-12.0 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 = 0.97: H GLU 69 + HB2 LYS 66 OK 95 96 100 99 5.4-5.7 7119/3.0=86...(10) H ASP 65 + HB2 LYS 66 OK 35 100 35 100 6.0-6.5 7064/7069=96...(9) H GLN 72 - HB2 LYS 66 far 0 99 0 - 8.5-9.4 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 4.6-5.2 7064/7070=93...(12) H GLU 69 + HB3 LYS 66 OK 75 77 100 97 5.5-5.9 7119/3.0=61...(9) H LEU 70 + HB3 LYS 66 OK 48 81 80 74 5.4-6.4 7139/3.0=53, 4.6/9516=38 H GLN 72 - HB3 LYS 66 far 0 87 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 10778 from cnoeabs.peaks (7.94, 1.49, 24.58 ppm; 5.07 A): 1 out of 8 assignments used, quality = 0.71: H ASP 65 + HG2 LYS 66 OK 71 91 80 97 4.2-6.4 7064/4.8=64, 9492/3.0=46...(12) H ASP 65 - HG3 LYS 66 poor 18 91 20 - 5.9-7.2 H LEU 70 - HG2 LYS 66 far 14 93 15 - 4.8-7.3 H GLU 69 - HG2 LYS 66 poor 12 59 20 - 5.5-6.3 H LEU 70 - HG3 LYS 66 far 9 93 10 - 5.7-7.6 H GLU 69 - HG3 LYS 66 far 0 59 0 - 6.6-7.2 H GLN 72 - HG2 LYS 66 far 0 71 0 - 9.0-11.1 H GLN 72 - HG3 LYS 66 far 0 71 0 - 9.8-11.5 Violated in 4 structures by 0.26 A. Peak 10779 from cnoeabs.peaks (8.49, 2.64, 40.20 ppm; 4.91 A): 2 out of 5 assignments used, quality = 0.98: H ALA 67 + HB3 ASP 65 OK 97 97 100 100 4.6-5.6 7077/7067=85...(16) H VAL 54 + HB3 ASP 77 OK 30 99 30 100 4.6-6.9 9242/1.8=82...(11) H LYS 53 - HB3 ASP 77 far 8 80 10 - 5.3-8.0 H ARG 79 - HB3 ASP 77 far 0 99 0 - 6.7-7.9 H LEU 2 - HB3 ASP 77 far 0 94 0 - 9.5-12.9 Violated in 2 structures by 0.00 A. Peak 10781 from cnoeabs.peaks (1.08, 1.70, 27.82 ppm; 6.41 A): 0 out of 1 assignment used, quality = 0.00: HG2 LYS 82 - HD3 LYS 66 far 0 91 0 - 9.6-14.3 Violated in 20 structures by 5.58 A. Peak 10782 from cnoeabs.peaks (0.81, 1.70, 27.82 ppm; 4.70 A): 2 out of 5 assignments used, quality = 0.90: QD1 LEU 70 + HD3 LYS 66 OK 74 100 75 99 3.9-6.3 9517/2.9=84...(12) QD2 LEU 70 + HD3 LYS 66 OK 60 100 70 86 3.4-7.5 ~9517=54, 9514/2943=27...(9) QD2 LEU 38 - HD3 LYS 66 far 5 99 5 - 5.3-8.9 QG2 ILE 8 - HD3 LYS 66 far 0 82 0 - 7.2-9.5 QG2 VAL 32 - HD3 LYS 66 far 0 94 0 - 9.5-11.5 Violated in 5 structures by 0.18 A. Peak 10783 from cnoeabs.peaks (1.75, 1.34, 17.79 ppm; 3.89 A): 3 out of 7 assignments used, quality = 0.99: HB ILE 56 + QB ALA 67 OK 97 97 100 100 2.6-3.2 2.1/9528=83...(25) HB2 LYS 66 + QB ALA 67 OK 70 95 75 98 4.3-4.9 7086/2.9=60...(16) HB3 LEU 70 + QB ALA 67 OK 39 70 65 87 4.1-6.0 3.1/9526=23, ~3132=22...(16) HB3 GLU 63 - QB ALA 67 poor 19 79 30 81 4.3-5.3 ~7080=23, ~10750=23...(13) HB VAL 78 - QB ALA 67 far 0 75 0 - 5.1-7.5 HB3 LYS 82 - QB ALA 67 far 0 96 0 - 7.1-8.6 HD2 ARG 81 - QB ALA 67 far 0 87 0 - 7.1-9.4 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (1.86, 1.34, 17.79 ppm; 4.12 A): 3 out of 9 assignments used, quality = 1.00: HB3 LYS 66 + QB ALA 67 OK 99 100 100 99 3.8-4.4 7087/2.9=70...(15) HB3 LYS 68 + QB ALA 67 OK 79 98 85 95 3.8-5.2 3010/2985=62...(12) HB ILE 8 + QB ALA 67 OK 28 65 60 72 4.6-5.5 10383/9528=25...(13) HB2 LYS 68 - QB ALA 67 far 9 91 10 - 4.1-5.4 HG LEU 42 - QB ALA 67 far 0 63 0 - 5.6-7.0 HB VAL 54 - QB ALA 67 far 0 84 0 - 6.7-7.7 HB3 LEU 57 - QB ALA 67 far 0 68 0 - 6.9-7.5 HB3 LYS 39 - QB ALA 67 far 0 100 0 - 7.6-9.6 HB VAL 5 - QB ALA 67 far 0 100 0 - 9.9-10.6 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 4.4-4.9 3.6/2981=76...(20) H GLU 69 + QB ALA 67 OK 84 84 100 100 4.4-4.9 7115/2985=73...(16) H LEU 70 + QB ALA 67 OK 70 73 100 96 4.7-5.3 7140/2.1=57...(12) H GLN 72 - QB ALA 67 far 0 92 0 - 6.0-6.6 H LEU 42 - QB ALA 67 far 0 70 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 10787 from cnoeabs.peaks (3.67, 1.34, 17.35 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 90 + QB ALA 89 OK 99 100 100 99 3.7-3.9 3.0/7415=75...(15) HA LEU 14 + QB ALA 89 OK 81 96 95 88 3.9-5.0 9885/10971=50...(12) HA GLU 88 - QB ALA 89 far 0 99 0 - 5.0-5.0 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 2.0-5.2 2.1/10256=88, ~12321=68...(25) HA LEU 42 - HG3 LYS 47 far 0 58 0 - 7.8-9.9 Violated in 2 structures by 0.02 A. Peak 10790 from cnoeabs.peaks (4.15, 1.64, 25.26 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.62: HA LYS 47 + HG3 LYS 47 OK 62 62 100 100 2.6-3.8 3.9=100 HA GLU 62 - HG2 LYS 68 far 0 82 0 - 6.7-10.1 HA GLN 72 - HG2 LYS 68 far 0 100 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 10791 from cnoeabs.peaks (4.17, 3.81, 59.98 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.32: HA GLN 72 + HA LYS 68 OK 32 97 35 94 5.8-6.9 ~9557=46, 3.9/12324=44...(7) HA GLU 23 - HA ARG 19 far 14 91 15 - 5.9-7.2 HA LYS 73 - HA LYS 68 far 0 100 0 - 8.7-9.5 Violated in 20 structures by 1.06 A. Peak 10792 from cnoeabs.peaks (4.00, 1.35, 25.26 ppm; 5.81 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 69 + HG3 LYS 68 OK 100 100 100 100 3.1-6.4 10794/1.8=99...(23) HA LEU 70 + HG2 LYS 39 OK 40 58 95 73 4.3-6.8 4.0/3168=30...(6) HA LEU 70 - HG3 LYS 68 far 0 94 0 - 7.0-9.7 HA GLU 69 - HG2 LYS 39 far 0 66 0 - 8.9-11.4 HA GLU 75 - HG2 LYS 39 far 0 67 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 10793 from cnoeabs.peaks (1.86, 4.00, 59.02 ppm; 4.42 A): 2 out of 5 assignments used, quality = 0.92: HB2 LYS 68 + HA GLU 69 OK 86 91 95 100 3.8-5.6 3008/3.0=64...(21) HB3 LYS 68 + HA GLU 69 OK 39 98 40 100 4.1-5.6 3020/3.0=72...(21) HB3 LYS 66 - HA GLU 69 far 0 100 0 - 8.1-8.4 HB3 LYS 90 - HA GLU 95 far 0 26 0 - 8.9-11.8 HG LEU 42 - HA GLU 69 far 0 63 0 - 9.8-11.4 Violated in 9 structures by 0.03 A. Peak 10794 from cnoeabs.peaks (1.67, 4.00, 59.02 ppm; 4.46 A): 1 out of 12 assignments used, quality = 0.51: HG2 LYS 68 + HA GLU 69 OK 51 79 65 100 4.2-6.6 7111/10789=49...(21) HD2 LYS 68 - HA GLU 69 poor 19 93 20 - 4.9-6.6 HG LEU 70 - HA GLU 69 far 12 82 15 - 5.2-7.2 HD2 LYS 73 - HA GLU 69 far 10 100 10 - 4.8-8.1 HD3 LYS 68 - HA GLU 69 far 9 92 10 - 5.1-7.8 HD3 LYS 73 - HA GLU 69 far 5 100 5 - 4.9-8.1 HD3 LYS 66 - HA GLU 69 far 0 77 0 - 6.5-9.2 HB3 ARG 91 - HA GLU 95 far 0 34 0 - 6.7-9.1 HD2 LYS 39 - HA GLU 69 far 0 95 0 - 8.1-11.8 HB ILE 76 - HA GLU 69 far 0 82 0 - 8.7-10.6 HD3 LYS 39 - HA GLU 69 far 0 77 0 - 8.9-11.5 HD3 LYS 90 - HA GLU 95 far 0 26 0 - 9.3-13.3 Violated in 16 structures by 0.82 A. Peak 10795 from cnoeabs.peaks (1.36, 4.00, 59.02 ppm; 5.09 A): 4 out of 7 assignments used, quality = 0.91: HG3 LYS 68 + HA GLU 69 OK 74 99 75 100 3.1-6.4 1.8/10794=92...(23) HB2 LEU 70 + HA GLU 69 OK 35 99 35 100 5.6-6.6 3133/3.6=84...(14) HG3 LYS 94 + HA GLU 95 OK 29 29 100 100 3.1-5.3 7533/3.0=69, ~7532=59...(15) HG2 LYS 94 + HA GLU 95 OK 29 29 100 100 3.5-4.6 7532/3.0=73, ~7533=56...(14) QB ALA 25 - HA GLU 95 far 3 29 10 - 5.8-6.8 QB ALA 67 - HA GLU 69 far 0 88 0 - 6.6-6.9 HG2 LYS 39 - HA GLU 69 far 0 96 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 10797 from cnoeabs.peaks (1.69, 2.13, 35.75 ppm; 4.16 A): 3 out of 18 assignments used, quality = 0.63: HD3 LYS 66 + HG2 GLU 69 OK 32 85 45 84 3.3-6.2 2.9/10798=48...(10) HD2 LYS 68 + HG2 GLU 69 OK 30 61 60 81 2.9-7.0 ~10185=21, 3.0/10799=20...(14) HD3 LYS 47 + HG2 GLU 44 OK 22 100 25 86 4.1-9.0 10433/3.0=45...(10) HD3 LYS 68 - HG2 GLU 69 poor 19 59 40 78 3.9-8.1 ~10185=21, 3.0/10799=20...(14) HG LEU 70 - HG2 GLU 69 poor 18 88 25 81 4.7-7.7 3150/3116=44...(9) HB3 LYS 40 - HG2 GLU 44 far 5 100 5 - 4.9-10.2 HD2 LYS 47 - HG2 GLU 44 far 5 100 5 - 4.4-9.8 HB3 ARG 79 - HG2 GLU 104 far 3 66 5 - 4.4-17.0 HB2 LYS 40 - HG2 GLU 44 far 0 59 0 - 5.6-9.8 HD2 LYS 73 - HG2 GLU 69 far 0 83 0 - 5.9-10.2 HD3 LYS 73 - HG2 GLU 69 far 0 81 0 - 6.1-10.3 HB3 LEU 70 - HG2 GLU 69 far 0 66 0 - 6.4-7.9 HB ILE 52 - HG2 GLU 44 far 0 96 0 - 7.9-11.9 HD2 LYS 39 - HG2 GLU 69 far 0 65 0 - 9.1-13.0 HD3 LYS 68 - HG2 GLU 104 far 0 61 0 - 9.2-24.3 HB2 LEU 2 - HG2 GLU 44 far 0 96 0 - 9.4-14.0 HD2 LYS 39 - HG2 GLU 44 far 0 75 0 - 9.4-14.8 HB3 LEU 6 - HG2 GLU 44 far 0 63 0 - 9.8-11.1 Violated in 5 structures by 0.13 A. Peak 10798 from cnoeabs.peaks (1.49, 2.13, 35.75 ppm; 4.93 A): 1 out of 21 assignments used, quality = 0.49: HG2 LYS 66 + HG2 GLU 69 OK 49 92 60 88 4.0-6.7 9537/3110=49...(10) HG2 LYS 47 - HG2 GLU 44 poor 20 100 20 - 4.9-8.9 HG3 LYS 66 - HG2 GLU 69 far 14 92 15 - 5.5-7.8 HD2 LYS 40 - HG2 GLU 44 far 13 87 15 - 5.2-10.6 HB3 LEU 103 - HG2 GLU 104 poor 12 59 20 - 4.2-8.0 HD3 LYS 40 - HG2 GLU 44 far 0 88 0 - 5.9-10.6 HG2 LYS 73 - HG2 GLU 69 far 0 92 0 - 5.9-9.2 HG LEU 64 - HG2 GLU 69 far 0 91 0 - 6.1-7.5 HG13 ILE 52 - HG2 GLU 44 far 0 75 0 - 6.5-10.9 HD2 LYS 53 - HG2 GLU 104 far 0 70 0 - 7.1-16.9 HG LEU 6 - HG2 GLU 44 far 0 63 0 - 7.3-9.4 HG LEU 2 - HG2 GLU 44 far 0 82 0 - 7.7-12.0 HG LEU 38 - HG2 GLU 69 far 0 68 0 - 8.0-12.1 HB3 LEU 64 - HG2 GLU 69 far 0 93 0 - 8.5-9.4 HB2 LEU 38 - HG2 GLU 69 far 0 61 0 - 9.0-12.2 HG3 ARG 91 - HG2 GLU 104 far 0 57 0 - 9.0-24.5 HB2 LEU 38 - HG2 GLU 44 far 0 71 0 - 9.1-12.7 HG2 LYS 53 - HG2 GLU 104 far 0 76 0 - 9.4-18.5 HG3 LYS 53 - HG2 GLU 104 far 0 83 0 - 9.8-17.1 HG LEU 64 - HG2 GLU 104 far 0 93 0 - 9.9-26.4 HB3 LEU 64 - HG2 GLU 104 far 0 94 0 - 10.0-26.6 Violated in 15 structures by 0.74 A. Peak 10799 from cnoeabs.peaks (1.35, 2.13, 35.75 ppm; 5.37 A): 3 out of 9 assignments used, quality = 0.89: HG3 LYS 68 + HG2 GLU 69 OK 72 91 80 98 1.9-6.9 10185/1.8=55...(15) HG3 LYS 40 + HG2 GLU 44 OK 41 100 50 81 3.9-9.0 8973/6713=28...(8) QB ALA 67 + HG2 GLU 69 OK 35 82 50 86 5.9-6.8 3.6/9533=40...(8) HB2 LEU 70 - HG2 GLU 69 far 4 88 5 - 6.1-8.0 HB3 ARG 30 - HG2 GLU 44 far 0 96 0 - 7.0-8.7 HB3 LEU 2 - HG2 GLU 44 far 0 88 0 - 8.2-13.5 HG2 LYS 39 - HG2 GLU 44 far 0 99 0 - 8.3-12.4 QB ALA 67 - HG2 GLU 104 far 0 84 0 - 9.6-21.7 HG2 LYS 39 - HG2 GLU 69 far 0 89 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (1.34, 2.13, 29.27 ppm; 4.63 A): 3 out of 12 assignments used, quality = 0.90: HG3 LYS 68 + HB2 GLU 69 OK 62 100 65 96 3.8-7.8 ~10794=47, 10792/3.0=32...(13) HG3 LYS 68 + HB3 GLU 69 OK 60 100 65 93 4.5-8.1 ~10794=47, 10792/3.0=32...(10) HB2 LEU 70 + HB2 GLU 69 OK 30 88 35 98 4.4-5.9 10277=52, 7150/4.6=51...(15) HB2 LEU 70 - HB3 GLU 69 far 4 88 5 - 5.2-6.7 QB ALA 67 - HB2 GLU 69 far 0 99 0 - 5.8-6.4 QB ALA 25 - HB3 GLU 23 far 0 61 0 - 6.0-6.5 QB ALA 67 - HB3 GLU 69 far 0 99 0 - 7.2-7.6 HG2 LYS 39 - HB2 GLU 69 far 0 100 0 - 7.6-10.8 HG2 LYS 39 - HB3 GLU 69 far 0 100 0 - 8.1-11.1 HB3 LEU 27 - HB3 GLU 23 far 0 62 0 - 8.2-9.9 HG3 LYS 94 - HB3 GLU 23 far 0 35 0 - 9.5-13.6 QB ALA 89 - HB3 GLU 23 far 0 61 0 - 9.7-11.6 Violated in 6 structures by 0.07 A. Peak 10802 from cnoeabs.peaks (1.69, 2.13, 29.27 ppm; 3.54 A): 2 out of 22 assignments used, quality = 0.87: HG LEU 70 + HB2 GLU 69 OK 75 99 90 83 3.0-5.4 3150/4.6=31...(14) HD3 LYS 66 + HB2 GLU 69 OK 49 99 70 70 3.5-6.9 2942/3102=37, ~10798=17...(10) HD3 LYS 24 - HB3 GLU 23 poor 20 61 80 40 2.2-7.3 6387/4.6=11, 3.0/12181=7...(11) HD2 LYS 24 - HB3 GLU 23 poor 15 61 60 40 2.7-7.3 6387/4.6=11, 12058/1.8=8...(11) HD2 LYS 73 - HB2 GLU 69 far 9 88 10 - 3.7-8.3 HD3 LYS 73 - HB3 GLU 69 far 9 85 10 - 3.2-7.4 HD2 LYS 73 - HB3 GLU 69 poor 8 88 35 27 3.8-7.5 ~9581=5, ~10461=5...(9) HD3 LYS 73 - HB2 GLU 69 far 4 85 5 - 4.0-8.6 HG LEU 70 - HB3 GLU 69 far 0 99 0 - 4.4-6.5 HB3 LEU 70 - HB2 GLU 69 far 0 85 0 - 4.6-5.7 HD3 LYS 66 - HB3 GLU 69 far 0 99 0 - 4.7-8.2 HD2 LYS 20 - HB3 GLU 23 far 0 57 0 - 4.8-7.8 HD3 LYS 20 - HB3 GLU 23 far 0 55 0 - 4.8-7.8 HG3 LYS 20 - HB3 GLU 23 far 0 55 0 - 5.1-6.6 HD2 LYS 68 - HB2 GLU 69 far 0 61 0 - 5.4-8.2 HB3 LEU 70 - HB3 GLU 69 far 0 85 0 - 5.4-6.8 HD2 LYS 68 - HB3 GLU 69 far 0 61 0 - 5.7-8.4 HD3 LYS 68 - HB2 GLU 69 far 0 59 0 - 6.3-8.9 HD3 LYS 68 - HB3 GLU 69 far 0 59 0 - 6.6-9.5 HD2 LYS 39 - HB2 GLU 69 far 0 65 0 - 6.9-10.7 HD2 LYS 39 - HB3 GLU 69 far 0 65 0 - 7.5-10.8 HD3 LYS 90 - HB3 GLU 23 far 0 61 0 - 8.6-12.7 Violated in 3 structures by 0.02 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 2.7-5.4 9571=98, 1.7/9570=87...(12) HE3 TRP 92 - HA GLU 95 poor 7 30 25 - 5.7-10.5 H ARG 91 - HA GLU 95 far 0 29 0 - 8.4-9.5 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 4.1-6.9 9570=99, 1.7/9571=98...(8) HD1 TRP 92 - HA GLU 95 far 0 27 0 - 7.8-10.4 Violated in 7 structures by 0.13 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 4.2-5.2 7157/3.6=85...(14) H LYS 94 + HA GLU 95 OK 36 36 100 100 5.2-5.5 7528/3.0=90, 7522/3.6=84...(9) H LEU 103 - HA GLU 95 far 0 27 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 10807 from cnoeabs.peaks (8.54, 2.34, 35.91 ppm; 5.84 A): 1 out of 7 assignments used, quality = 0.88: H GLN 50 + HG2 GLU 48 OK 88 88 100 100 4.8-6.1 11027/1.8=84...(9) H ASN 51 - HG2 GLU 48 poor 19 93 20 - 6.2-9.8 H LYS 12 - HG2 GLU 16 lone 9 79 85 13 6.1-8.3 4.7/10186=6, 8380/8981=5 H LEU 2 - HG2 GLU 48 far 0 73 0 - 6.8-9.4 H THR 31 - HG2 GLU 16 far 0 57 0 - 9.2-13.1 H THR 31 - HG3 GLU 44 far 0 46 0 - 9.3-13.1 H GLN 50 - HG3 GLU 44 far 0 82 0 - 9.4-13.5 Violated in 8 structures by 0.07 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 76 77 100 99 4.6-6.4 4.6/3133=78...(9) H LYS 73 + HB2 LEU 70 OK 71 71 100 99 5.0-5.7 10810/3.0=77, 9576=62...(8) H GLN 72 + HB2 LEU 70 OK 64 65 100 97 4.7-5.3 4.6/7159=84, 4.6/9576=55...(6) 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 5.1-5.7 10810/3.0=90...(7) H GLU 69 + HB3 LEU 70 OK 59 59 100 99 4.3-6.4 4.6/3142=84...(12) 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 3.2-3.7 9578=53, 9577/3167=49...(17) H TYR 41 - HA LEU 70 far 0 71 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 10812 from cnoeabs.peaks (8.07, 0.81, 25.21 ppm; 5.07 A): 2 out of 7 assignments used, quality = 0.98: H LYS 39 + QD1 LEU 70 OK 95 96 100 100 2.9-4.4 ~10822=57, 3.0/8952=44...(26) H LYS 39 + QD2 LEU 38 OK 60 60 100 100 3.6-4.8 6599/3.1=84, 1633/3.1=71...(15) H LYS 90 - QD2 LEU 57 far 0 50 0 - 6.3-7.4 H GLU 75 - QD1 LEU 70 far 0 99 0 - 7.1-9.2 H SER 102 - QD2 LEU 57 far 0 59 0 - 8.2-14.2 H ILE 15 - QD2 LEU 57 far 0 60 0 - 8.3-10.2 H GLU 17 - QD2 LEU 57 far 0 61 0 - 8.9-11.2 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 2.7-4.6 7207/10810=56...(15) HG LEU 38 - HA LEU 70 far 0 71 0 - 6.1-9.6 HB2 LEU 38 - HA LEU 70 far 0 63 0 - 6.3-9.6 HG2 LYS 66 - HA LEU 70 far 0 100 0 - 6.5-9.6 HG3 LYS 66 - HA LEU 70 far 0 100 0 - 7.0-9.6 HG12 ILE 56 - HA LEU 70 far 0 59 0 - 9.5-11.0 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 7 assignments used, quality = 1.00: QD1 LEU 42 + HA LEU 70 OK 100 100 100 100 3.6-5.0 9544/3.0=82, 9543/3.0=82...(14) QD1 ILE 56 - HA LEU 70 far 0 98 0 - 6.3-8.4 QG2 VAL 78 - HA LEU 70 far 0 82 0 - 6.6-8.2 QD1 ILE 8 - HA LEU 70 far 0 96 0 - 8.3-9.5 HG13 ILE 56 - HA LEU 70 far 0 92 0 - 8.5-11.0 QG1 VAL 58 - HA LEU 70 far 0 84 0 - 9.3-10.2 QG2 VAL 54 - HA LEU 70 far 0 57 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 10815 from cnoeabs.peaks (1.96, 4.02, 57.49 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.99: HB2 LYS 73 + HA LEU 70 OK 95 100 100 95 2.0-4.1 2.9/10813=43...(15) HB3 LYS 73 + HA LEU 70 OK 79 100 85 93 3.4-5.1 2.9/10813=43...(14) HB3 MET 74 - HA LEU 70 far 0 100 0 - 4.8-7.1 Violated in 1 structures by 0.01 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 4.0-4.4 3101/3.0=41...(19) HB3 GLU 69 + HA LEU 70 OK 98 99 100 99 4.0-4.7 3101/3.0=40, ~3116=35...(19) HB2 GLN 72 - HA LEU 70 far 0 79 0 - 5.9-7.0 HG2 GLU 69 - HA LEU 70 far 0 99 0 - 6.2-6.5 HG2 GLU 75 - HA LEU 70 far 0 61 0 - 8.2-10.9 HB2 GLU 75 - HA LEU 70 far 0 100 0 - 9.4-11.1 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 5 assignments used, quality = 0.90: HA ALA 71 + HA LEU 70 OK 87 87 100 100 4.7-4.9 4.9=87, ~7159=44...(18) HA ALA 67 + HA LEU 70 OK 23 96 25 97 5.4-6.2 7140/3.0=71, 9539/3.7=36...(11) HA GLU 35 - HA LEU 70 far 0 95 0 - 6.9-9.2 HA LEU 38 - HA LEU 70 far 0 100 0 - 8.3-10.0 HA GLU 43 - HA LEU 70 far 0 98 0 - 9.6-11.0 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 = 0.99: HE2 LYS 73 + HA LEU 70 OK 94 97 100 97 4.2-6.3 4.0/10813=74...(9) HE3 LYS 73 + HA LEU 70 OK 91 99 95 97 4.3-6.7 4.0/10813=74...(8) HE3 LYS 66 - HA LEU 70 far 3 65 5 - 5.4-11.2 HE2 LYS 68 - HA LEU 70 far 0 82 0 - 7.6-11.4 HE3 LYS 68 - HA LEU 70 far 0 79 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 10821 from cnoeabs.peaks (2.88, 0.81, 24.20 ppm; 4.00 A): 2 out of 11 assignments used, quality = 0.99: HE3 LYS 39 + QD2 LEU 70 OK 90 100 95 95 2.0-7.1 3.5/10569=31...(19) HE2 LYS 39 + QD2 LEU 70 OK 90 100 95 95 1.9-7.6 8958=35, 3.5/10569=31...(19) HE3 LYS 66 - QD2 LEU 70 poor 18 88 20 - 2.0-8.3 HE2 LYS 66 - QD2 LEU 70 far 5 95 5 - 3.1-7.4 HE3 LYS 82 - QD1 LEU 57 far 0 46 0 - 6.4-8.5 HE3 LYS 68 - QD2 LEU 70 far 0 77 0 - 7.3-11.5 HE3 LYS 68 - QD1 LEU 57 far 0 38 0 - 8.0-12.5 HE2 LYS 68 - QD2 LEU 70 far 0 73 0 - 8.1-11.4 HE2 LYS 68 - QD1 LEU 57 far 0 36 0 - 8.8-12.8 HB2 ASN 60 - QD1 LEU 57 far 0 53 0 - 9.4-11.3 HE3 LYS 94 - QD1 LEU 57 far 0 35 0 - 9.5-12.5 Violated in 1 structures by 0.12 A. Peak 10822 from cnoeabs.peaks (3.60, 0.81, 24.20 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.82: HA LYS 39 + QD2 LEU 70 OK 82 99 85 98 3.9-5.9 8952=51, 8952/2.1=39...(19) Violated in 12 structures by 0.39 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 4.4-5.0 7168/7173=93...(13) Violated in 0 structures by 0.00 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 5.8-6.4 7166/7172=100...(13) Violated in 5 structures by 0.00 A. Peak 10828 from cnoeabs.peaks (7.74, 3.85, 55.14 ppm; 4.10 A): 2 out of 8 assignments used, quality = 1.00: H MET 74 + HA ALA 71 OK 100 100 100 100 3.4-4.0 10858=77, 7213/9579=48...(18) H ALA 25 + HA ALA 22 OK 38 39 100 98 3.3-3.6 6394=61, 2.9/1154=38...(14) H VAL 78 - HA ALA 71 far 0 98 0 - 5.6-7.0 H LEU 64 - HA ALA 67 far 0 63 0 - 7.0-7.3 H MET 74 - HA ALA 67 far 0 79 0 - 8.3-9.1 H GLU 37 - HA ALA 67 far 0 80 0 - 8.4-10.2 H VAL 78 - HA ALA 67 far 0 75 0 - 9.3-10.6 H ASN 60 - HA ALA 67 far 0 76 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10829 from cnoeabs.peaks (7.56, 3.85, 55.14 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: H ILE 76 + HA ALA 71 OK 100 100 100 100 3.5-4.9 9649=98, 7254/9648=53...(14) H LYS 24 + HA ALA 22 OK 55 55 100 100 4.1-4.8 6376/3.6=73...(13) H LEU 38 - HA ALA 67 far 0 59 0 - 6.2-8.2 H LEU 38 - HA ALA 71 far 0 82 0 - 9.0-10.6 H ILE 76 - HA ALA 67 far 0 80 0 - 9.8-10.7 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 4 assignments used, quality = 1.00: H VAL 78 + QB ALA 71 OK 100 100 100 100 3.5-4.4 9683=97, 7278/9685=71...(10) H MET 74 + QB ALA 71 OK 96 97 100 99 4.5-4.8 10858/2.1=75, 9590=64...(15) H SER 49 - QB ALA 71 far 0 68 0 - 9.6-11.9 H GLU 37 - QB ALA 71 far 0 93 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10831 from cnoeabs.peaks (4.01, 3.85, 55.14 ppm; 4.26 A): 1 out of 7 assignments used, quality = 0.97: HA LEU 70 + HA ALA 71 OK 97 98 100 100 4.7-4.9 4.9=67, 10810/9579=38...(18) HB3 SER 97 - HA ALA 22 far 0 48 0 - 5.3-7.4 HA LEU 70 - HA ALA 67 far 0 75 0 - 5.4-6.2 HA GLU 75 - HA ALA 71 far 0 100 0 - 5.7-7.0 HA GLU 69 - HA ALA 71 far 0 98 0 - 6.5-7.0 HA GLU 69 - HA ALA 67 far 0 75 0 - 6.6-7.1 HA GLU 95 - HA ALA 22 far 0 54 0 - 9.0-10.5 Violated in 20 structures by 0.55 A. Peak 10832 from cnoeabs.peaks (4.00, 1.41, 18.49 ppm; 4.82 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 69 + QB ALA 71 OK 98 100 100 98 4.8-5.6 9559/10842=57...(9) HA LEU 70 + QB ALA 71 OK 92 92 100 100 5.0-5.0 3.6/7165=89...(16) HA GLU 75 - QB ALA 71 far 5 100 5 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 10833 from cnoeabs.peaks (3.99, 4.15, 58.53 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.61: HA GLU 75 + HA GLN 72 OK 61 65 100 93 3.3-4.3 9619=55, 7248/9650=46...(10) HA GLU 69 - HA GLN 72 far 3 68 5 - 4.9-6.0 HA LEU 70 - HA GLN 72 far 0 44 0 - 6.4-6.6 HD3 PRO 86 - HA LYS 13 far 0 98 0 - 7.4-9.0 HD2 PRO 86 - HA LYS 13 far 0 99 0 - 8.6-10.2 Violated in 3 structures by 0.02 A. Peak 10834 from cnoeabs.peaks (1.64, 1.41, 18.49 ppm; 3.95 A): 1 out of 12 assignments used, quality = 0.98: HB ILE 76 + QB ALA 71 OK 98 100 100 98 2.5-4.7 9648/2.1=52, 3422=31...(20) HG2 LYS 68 - QB ALA 71 far 10 100 10 - 4.5-6.6 HD3 LYS 68 - QB ALA 71 far 10 100 10 - 3.9-7.3 HD2 LYS 68 - QB ALA 71 far 10 99 10 - 3.6-8.0 HB3 LEU 6 - QB ALA 71 far 0 100 0 - 6.3-8.3 HB3 ARG 79 - QB ALA 71 far 0 99 0 - 6.3-7.8 HD2 LYS 39 - QB ALA 71 far 0 99 0 - 6.4-8.9 HD3 LYS 73 - QB ALA 71 far 0 91 0 - 6.7-8.6 HD2 LYS 73 - QB ALA 71 far 0 88 0 - 6.7-8.4 HD3 LYS 39 - QB ALA 71 far 0 100 0 - 6.9-9.7 HB ILE 52 - QB ALA 71 far 0 84 0 - 8.6-10.9 HB2 LYS 40 - QB ALA 71 far 0 100 0 - 9.5-11.3 Violated in 7 structures by 0.15 A. Peak 10835 from cnoeabs.peaks (1.78, 1.41, 18.49 ppm; 3.70 A): 1 out of 8 assignments used, quality = 1.00: HB VAL 78 + QB ALA 71 OK 100 100 100 100 1.9-3.9 9685=100, 2.1/10210=75...(21) HB ILE 56 - QB ALA 71 far 0 97 0 - 4.7-5.9 HB2 LEU 42 - QB ALA 71 far 0 77 0 - 4.7-6.9 HG3 ARG 46 - QB ALA 71 far 0 99 0 - 6.3-10.2 HB2 LYS 66 - QB ALA 71 far 0 99 0 - 6.9-8.1 HB2 LYS 39 - QB ALA 71 far 0 91 0 - 7.0-9.0 HB3 GLU 63 - QB ALA 71 far 0 100 0 - 9.6-10.9 HB2 GLU 104 - QB ALA 71 far 0 73 0 - 9.7-19.7 Violated in 5 structures by 0.04 A. Peak 10836 from cnoeabs.peaks (1.63, 3.85, 55.14 ppm; 4.15 A): 2 out of 28 assignments used, quality = 0.98: HB ILE 76 + HA ALA 71 OK 97 97 100 100 2.6-4.5 10834/2.1=71, 9648=60...(21) HG LEU 27 + HA ALA 22 OK 37 37 100 99 3.5-4.4 3.0/8636=55, 3.0/8639=51...(14) HG3 LYS 73 - HA ALA 71 poor 18 73 25 - 4.7-7.8 HB3 LEU 29 - HA ALA 22 far 3 35 10 - 4.7-6.3 HG2 LYS 68 - HA ALA 67 far 0 75 0 - 5.5-6.8 HD2 LYS 39 - HA ALA 71 far 0 87 0 - 5.6-8.9 HD3 LYS 39 - HA ALA 71 far 0 99 0 - 6.2-9.6 HD2 LYS 73 - HA ALA 71 far 0 63 0 - 6.2-8.7 HD3 LYS 73 - HA ALA 71 far 0 68 0 - 6.3-9.3 HD2 LYS 68 - HA ALA 71 far 0 90 0 - 6.6-11.1 HD2 LYS 66 - HA ALA 67 far 0 56 0 - 6.6-7.9 HD3 LYS 68 - HA ALA 67 far 0 67 0 - 6.7-8.1 HB3 LEU 6 - HA ALA 67 far 0 70 0 - 6.9-8.6 HD2 LYS 68 - HA ALA 67 far 0 66 0 - 7.0-8.3 HD3 LYS 68 - HA ALA 71 far 0 91 0 - 7.1-10.6 HD2 LYS 73 - HA ALA 67 far 0 44 0 - 7.3-11.0 HD3 LYS 73 - HA ALA 67 far 0 47 0 - 7.4-11.0 HG3 LYS 73 - HA ALA 67 far 0 51 0 - 7.5-10.5 HD2 LYS 39 - HA ALA 67 far 0 63 0 - 7.5-9.7 HG2 LYS 68 - HA ALA 71 far 0 98 0 - 7.8-9.4 HD3 LYS 94 - HA ALA 22 far 0 37 0 - 7.8-10.0 HD3 LYS 39 - HA ALA 67 far 0 76 0 - 8.1-9.9 HB ILE 76 - HA ALA 67 far 0 74 0 - 8.6-10.4 HB3 LEU 6 - HA ALA 71 far 0 94 0 - 8.8-10.8 HD2 LYS 94 - HA ALA 22 far 0 60 0 - 8.8-10.8 HB2 ARG 79 - HA ALA 71 far 0 77 0 - 9.2-12.3 HB3 ARG 79 - HA ALA 71 far 0 87 0 - 9.6-11.5 HB2 LYS 40 - HA ALA 67 far 0 72 0 - 9.9-12.4 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 3 assignments used, quality = 0.84: HG12 ILE 76 + HA ALA 71 OK 84 99 85 100 3.6-6.8 3.0/9648=67...(18) HG2 LYS 82 - HA ALA 67 far 0 47 0 - 9.9-12.3 HG12 ILE 76 - HA ALA 67 far 0 77 0 - 10.0-12.3 Violated in 10 structures by 0.32 A. Peak 10838 from cnoeabs.peaks (0.74, 3.85, 55.14 ppm; 3.21 A): 6 out of 29 assignments used, quality = 1.00: QG1 VAL 78 + HA ALA 71 OK 79 100 80 98 2.4-4.6 10210/2.1=55, 10658=46...(19) QD2 LEU 42 + HA ALA 71 OK 76 91 100 84 1.9-3.3 8924=42, ~10414=18...(17) QG2 VAL 78 + HA ALA 71 OK 63 87 75 97 2.6-5.5 2.1/10658=44, ~10210=32...(16) QG2 ILE 93 + HA ALA 22 OK 57 60 100 94 1.9-3.1 10028=37, 11002/3.0=29...(25) QD1 LEU 27 + HA ALA 22 OK 44 48 100 92 2.6-4.0 3.1/8636=31, 8641=28...(17) QD1 ILE 56 + HA ALA 67 OK 31 42 85 87 3.0-5.2 ~10677=28, ~10680=23...(16) QD1 ILE 8 - HA ALA 67 far 7 45 15 - 3.7-4.9 QD1 ILE 56 - HA ALA 71 far 6 61 10 - 3.9-6.4 HG13 ILE 93 - HA ALA 22 far 3 61 5 - 4.1-7.2 QD1 ILE 93 - HA ALA 22 far 2 46 5 - 3.7-5.1 HG13 ILE 56 - HA ALA 67 far 0 53 0 - 4.3-6.9 QG1 VAL 58 - HA ALA 67 far 0 62 0 - 4.5-5.4 QD2 LEU 27 - HA ALA 22 far 0 54 0 - 4.8-5.3 QG1 VAL 5 - HA ALA 22 far 0 51 0 - 4.8-6.3 QD2 LEU 42 - HA ALA 67 far 0 67 0 - 4.9-6.3 QG2 VAL 78 - HA ALA 67 far 0 63 0 - 5.1-7.3 QD1 LEU 64 - HA ALA 67 far 0 79 0 - 5.6-6.2 QG1 VAL 78 - HA ALA 67 far 0 80 0 - 5.6-6.9 QD1 LEU 6 - HA ALA 67 far 0 62 0 - 5.6-7.2 QD1 LEU 6 - HA ALA 71 far 0 85 0 - 5.9-7.1 QG1 VAL 54 - HA ALA 71 far 0 96 0 - 6.1-7.7 HG13 ILE 56 - HA ALA 71 far 0 75 0 - 6.1-8.1 QG2 ILE 52 - HA ALA 71 far 0 71 0 - 7.1-9.2 QG1 VAL 54 - HA ALA 67 far 0 72 0 - 7.2-8.1 QD1 ILE 8 - HA ALA 71 far 0 65 0 - 7.8-9.1 QD1 LEU 64 - HA ALA 71 far 0 100 0 - 8.4-9.6 QG1 VAL 58 - HA ALA 71 far 0 85 0 - 8.9-10.1 QG1 VAL 54 - HA ALA 22 far 0 54 0 - 9.0-10.0 QG1 VAL 5 - HA ALA 67 far 0 69 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (1.98, 2.23, 28.06 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.81: HB2 LYS 73 + HB3 GLN 72 OK 81 84 100 96 4.4-5.1 4.1/7199=61...(8) HB3 LYS 73 - HB3 GLN 72 far 0 82 0 - 5.8-6.3 HB3 MET 74 - HB3 GLN 72 far 0 91 0 - 6.6-8.6 QE MET 74 - HB3 GLN 72 far 0 94 0 - 7.4-8.8 Violated in 19 structures by 0.38 A. Peak 10841 from cnoeabs.peaks (1.63, 2.23, 28.06 ppm; 4.92 A): 1 out of 8 assignments used, quality = 0.82: HG3 LYS 73 + HB3 GLN 72 OK 82 82 100 100 4.0-5.4 2.9/10839=75...(7) HD2 LYS 68 - HB3 GLN 72 far 8 82 10 - 4.0-8.0 HG2 LYS 68 - HB3 GLN 72 far 5 95 5 - 5.7-7.9 HD3 LYS 68 - HB3 GLN 72 far 4 84 5 - 5.7-8.8 HB ILE 76 - HB3 GLN 72 far 0 93 0 - 6.9-8.5 HD2 LYS 39 - HB3 GLN 72 far 0 79 0 - 9.0-12.0 HD2 LYS 66 - HB3 GLN 72 far 0 87 0 - 9.5-12.8 HD3 LYS 39 - HB3 GLN 72 far 0 96 0 - 9.8-12.2 Violated in 4 structures by 0.06 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 4.1-4.7 7170/7173=91...(10) HB2 LEU 70 - HB3 GLN 72 far 0 63 0 - 6.5-7.1 HG13 ILE 76 - HB3 GLN 72 far 0 75 0 - 8.0-10.2 HG3 LYS 39 - HB3 GLN 72 far 0 65 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 10845 from cnoeabs.peaks (1.61, 2.16, 28.06 ppm; 5.19 A): 1 out of 5 assignments used, quality = 0.97: HG3 LYS 73 + HB2 GLN 72 OK 97 97 100 100 4.7-5.5 7208/7198=85...(10) HD2 LYS 68 - HB2 GLN 72 far 3 57 5 - 5.6-9.4 HG2 LYS 68 - HB2 GLN 72 far 0 77 0 - 7.1-9.1 HD3 LYS 68 - HB2 GLN 72 far 0 59 0 - 7.2-10.1 HB ILE 76 - HB2 GLN 72 far 0 73 0 - 7.4-8.7 Violated in 8 structures by 0.06 A. Peak 10846 from cnoeabs.peaks (1.41, 2.16, 28.06 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 71 + HB2 GLN 72 OK 100 100 100 100 5.1-5.5 7170/7172=92...(11) HG13 ILE 76 - HB2 GLN 72 far 0 84 0 - 7.8-10.1 HG3 LYS 39 - HB2 GLN 72 far 0 75 0 - 9.8-14.0 Violated in 20 structures by 0.38 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 3.8-4.3 7213/3.6=63...(13) 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 0 100 0 - 5.2-6.6 H LYS 20 - HA LYS 13 far 0 37 0 - 8.3-9.3 H VAL 78 - HA LYS 73 far 0 58 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10850 from cnoeabs.peaks (0.73, 4.17, 57.87 ppm; 5.14 A): 3 out of 12 assignments used, quality = 0.67: QG2 VAL 78 + HA GLN 72 OK 37 57 70 92 4.6-6.8 ~10847=36, 9558/3.0=34...(10) QG1 VAL 78 + HA GLN 72 OK 33 49 75 89 4.1-6.9 10290/5.0=39...(9) QD1 ILE 52 + HA LYS 47 OK 24 35 95 71 5.6-6.1 9036/3.6=60, 2374/2.9=23 QD1 LEU 42 - HA GLN 72 far 0 29 0 - 6.1-7.3 QD1 ILE 56 - HA GLN 72 far 0 49 0 - 6.3-9.2 QD1 LEU 42 - HA LYS 73 far 0 61 0 - 6.5-8.1 QG1 VAL 78 - HA LYS 73 far 0 93 0 - 7.3-9.9 QG2 VAL 78 - HA LYS 73 far 0 100 0 - 7.8-10.2 QG1 VAL 54 - HA GLN 72 far 0 32 0 - 8.8-10.1 QD1 ILE 56 - HA LYS 73 far 0 93 0 - 8.9-11.5 QD1 LEU 64 - HA GLN 72 far 0 52 0 - 8.9-9.9 HG13 ILE 56 - HA GLN 72 far 0 54 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (0.78, 1.96, 32.28 ppm; 4.42 A): 3 out of 34 assignments used, quality = 0.91: QD2 LEU 70 + HB2 LYS 73 OK 70 77 100 91 3.1-5.2 10395/2.9=42...(9) QD2 LEU 70 + HB3 LYS 73 OK 56 77 80 91 3.7-5.7 10395/2.9=42...(9) QD2 LEU 2 + HB2 MET 1 OK 34 37 95 97 4.5-5.5 8010/3.0=34, ~8008=32...(16) QG2 ILE 93 - HB3 LYS 24 far 7 69 10 - 5.0-7.4 QD1 LEU 70 - HB2 LYS 73 far 6 61 10 - 3.8-7.1 QD1 LEU 70 - HB3 LYS 73 far 6 61 10 - 4.3-7.9 QD1 ILE 93 - HB3 LYS 20 far 0 75 0 - 5.4-7.7 QG2 ILE 93 - HB2 LYS 24 far 0 69 0 - 5.4-7.1 QD2 LEU 42 - HB2 LYS 73 far 0 98 0 - 5.5-8.8 QD2 LEU 42 - HB3 LYS 73 far 0 99 0 - 6.1-9.3 QD1 ILE 76 - HB2 LYS 73 far 0 88 0 - 6.1-8.1 QD1 LEU 27 - HB3 LYS 24 far 0 88 0 - 6.2-8.4 QG2 ILE 93 - HB3 LYS 20 far 0 57 0 - 6.3-8.3 QD1 LEU 27 - HB2 LYS 24 far 0 88 0 - 6.3-8.5 QD1 ILE 76 - HB3 LYS 73 far 0 88 0 - 6.6-8.2 QD1 LEU 27 - HB2 MET 1 far 0 57 0 - 6.6-9.8 QG1 VAL 78 - HB2 LYS 73 far 0 73 0 - 6.6-9.0 QD1 ILE 93 - HB3 LYS 24 far 0 88 0 - 6.7-9.5 QG2 ILE 15 - HB3 LYS 20 far 0 49 0 - 6.9-8.3 QG2 ILE 52 - HB2 LYS 47 far 0 91 0 - 7.1-8.2 QD1 ILE 93 - HB2 LYS 24 far 0 88 0 - 7.1-9.1 QD2 LEU 2 - HB2 LYS 47 far 0 63 0 - 7.2-9.1 QD1 ILE 76 - HB2 LYS 47 far 0 75 0 - 7.4-8.9 QG1 VAL 78 - HB3 LYS 73 far 0 73 0 - 7.5-10.0 HG13 ILE 93 - HB3 LYS 20 far 0 46 0 - 7.9-11.4 HG13 ILE 93 - HB3 LYS 24 far 0 57 0 - 8.1-12.1 QG2 ILE 52 - HB2 MET 1 far 0 59 0 - 8.2-9.6 HG13 ILE 93 - HB2 LYS 24 far 0 57 0 - 8.3-11.7 QG2 ILE 7 - HB3 LYS 20 far 0 64 0 - 8.5-10.2 QD1 LEU 27 - HB3 LYS 20 far 0 75 0 - 9.2-10.5 QD1 ILE 15 - HB3 LYS 20 far 0 68 0 - 9.2-11.0 QD2 LEU 57 - HB3 LYS 20 far 0 68 0 - 9.6-12.5 QD1 LEU 6 - HB2 LYS 73 far 0 100 0 - 9.7-11.9 HG13 ILE 15 - HB3 LYS 20 far 0 62 0 - 10.0-12.0 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 = 0.39: QG2 ILE 52 + HG2 LYS 53 OK 39 50 100 78 4.0-4.2 10637/3.9=27, 2355=24...(13) QG2 ILE 52 - HG3 LYS 53 poor 18 62 40 74 4.4-5.5 2355/1.8=33...(11) QD1 ILE 15 - HG3 LYS 33 far 4 89 5 - 4.5-6.4 QG2 ILE 8 - HG3 LYS 33 far 3 66 5 - 4.7-6.2 QG1 VAL 78 - HG3 LYS 53 far 0 68 0 - 5.7-8.2 QG2 ILE 93 - HG3 LYS 24 far 0 89 0 - 5.7-8.5 QD1 ILE 15 - HG3 LYS 13 far 0 100 0 - 5.9-7.4 QG2 ILE 52 - HG2 LYS 47 far 0 92 0 - 5.9-8.6 QG2 VAL 78 - HG2 LYS 53 far 0 31 0 - 6.2-8.2 QG1 VAL 78 - HG2 LYS 53 far 0 56 0 - 6.2-7.7 QD2 LEU 27 - HG3 LYS 53 far 0 51 0 - 6.4-8.8 QG2 VAL 78 - HG3 LYS 53 far 0 39 0 - 6.4-9.2 QD1 LEU 27 - HG3 LYS 53 far 0 70 0 - 6.5-9.1 QD2 LEU 42 - HG2 LYS 73 far 0 99 0 - 6.6-9.3 HG13 ILE 15 - HG3 LYS 33 far 0 89 0 - 6.9-9.1 QD1 ILE 93 - HG3 LYS 24 far 0 87 0 - 7.0-10.0 QD1 LEU 27 - HG3 LYS 24 far 0 87 0 - 7.2-9.2 QG1 VAL 78 - HG2 LYS 73 far 0 98 0 - 7.2-10.9 QG1 VAL 54 - HG3 LYS 53 far 0 73 0 - 7.2-7.9 QG1 VAL 54 - HG2 LYS 53 far 0 60 0 - 7.3-7.7 QD2 LEU 27 - HG2 LYS 53 far 0 40 0 - 7.3-8.3 QD1 LEU 27 - HG2 LYS 53 far 0 57 0 - 7.7-9.0 HG13 ILE 15 - HG3 LYS 13 far 0 99 0 - 7.8-10.1 QG2 VAL 78 - HG2 LYS 73 far 0 63 0 - 7.9-10.3 QD2 LEU 42 - HG2 LYS 53 far 0 58 0 - 8.1-9.8 QD2 LEU 42 - HG3 LYS 53 far 0 71 0 - 8.1-10.1 QD1 LEU 6 - HG3 LYS 33 far 0 85 0 - 8.1-9.6 QG1 VAL 58 - HG3 LYS 33 far 0 49 0 - 8.2-10.3 HG13 ILE 93 - HG3 LYS 24 far 0 84 0 - 8.2-13.1 QD2 LEU 42 - HG2 LYS 47 far 0 99 0 - 8.3-10.5 QD2 LEU 27 - HG3 LYS 24 far 0 65 0 - 8.6-9.8 QG1 VAL 5 - HG3 LYS 53 far 0 46 0 - 8.9-10.3 QG2 ILE 93 - HG3 LYS 53 far 0 71 0 - 9.1-11.3 QG1 VAL 5 - HG3 LYS 24 far 0 60 0 - 9.2-12.2 QG1 VAL 5 - HG2 LYS 53 far 0 37 0 - 9.3-10.6 QG1 VAL 54 - HG2 LYS 47 far 0 100 0 - 9.4-12.2 QD1 LEU 6 - HG2 LYS 53 far 0 56 0 - 9.6-10.9 QD1 LEU 6 - HG3 LYS 53 far 0 69 0 - 9.6-11.1 QG1 VAL 78 - HG2 LYS 47 far 0 98 0 - 9.8-12.6 QD1 LEU 6 - HG2 LYS 47 far 0 98 0 - 9.8-12.4 QG2 VAL 78 - HG2 LYS 47 far 0 63 0 - 9.9-14.5 QD1 LEU 64 - HG2 LYS 73 far 0 95 0 - 10.0-12.4 Violated in 20 structures by 0.12 A. Peak 10853 from cnoeabs.peaks (0.75, 1.60, 25.00 ppm; 4.56 A): 2 out of 24 assignments used, quality = 0.88: QD1 ILE 15 + HG3 LYS 12 OK 85 100 85 100 2.7-6.0 8468/1.8=85, 8446/3.7=71...(13) QD1 ILE 93 + HG3 LYS 90 OK 24 62 45 87 4.5-6.9 10025/4.0=56...(9) QG2 ILE 52 - HG3 LYS 47 far 3 57 5 - 5.4-8.7 HG13 ILE 15 - HG3 LYS 12 far 0 100 0 - 5.5-8.4 QG2 ILE 93 - HG2 LYS 24 far 0 95 0 - 6.1-8.1 QD2 LEU 42 - HG3 LYS 73 far 0 98 0 - 6.2-9.3 QG2 ILE 93 - HG3 LYS 90 far 0 68 0 - 6.2-8.2 HG13 ILE 93 - HG3 LYS 90 far 0 65 0 - 6.3-9.5 QG1 VAL 78 - HG3 LYS 73 far 0 99 0 - 6.5-10.3 QD1 LEU 27 - HG2 LYS 24 far 0 90 0 - 7.0-9.4 QG2 VAL 78 - HG3 LYS 73 far 0 71 0 - 7.7-10.2 QD1 ILE 93 - HG2 LYS 24 far 0 90 0 - 7.7-9.3 QD2 LEU 27 - HG2 LYS 24 far 0 78 0 - 8.2-10.3 QD2 LEU 42 - HG3 LYS 47 far 0 69 0 - 8.2-10.3 QG1 VAL 5 - HG3 LYS 90 far 0 48 0 - 8.6-9.8 HG13 ILE 93 - HG2 LYS 24 far 0 93 0 - 8.9-12.3 QG1 VAL 54 - HG3 LYS 47 far 0 72 0 - 9.0-11.9 QD1 ILE 15 - HG3 LYS 90 far 0 68 0 - 9.0-11.6 QG2 VAL 78 - HG3 LYS 47 far 0 45 0 - 9.0-13.6 QD1 LEU 27 - HG3 LYS 90 far 0 63 0 - 9.1-11.4 QG1 VAL 78 - HG3 LYS 47 far 0 71 0 - 9.4-13.2 QD1 LEU 6 - HG3 LYS 47 far 0 66 0 - 9.4-11.8 QG2 ILE 8 - HG3 LYS 12 far 0 73 0 - 9.4-11.6 QD1 LEU 6 - HG3 LYS 73 far 0 96 0 - 9.4-13.0 Violated in 4 structures by 0.06 A. Peak 10854 from cnoeabs.peaks (0.80, 1.67, 28.90 ppm; 3.88 A): 2 out of 36 assignments used, quality = 0.69: QD2 LEU 70 + HD2 LYS 73 OK 49 98 65 76 2.0-6.6 10395/3.0=44...(8) QD2 LEU 70 + HD3 LYS 73 OK 41 98 55 75 2.2-6.4 10395/3.0=44...(8) QD1 LEU 70 - HD2 LYS 73 far 5 92 5 - 3.6-8.6 QD1 LEU 70 - HD3 LYS 73 far 5 92 5 - 4.7-8.4 QD2 LEU 2 - HD2 LYS 47 far 0 48 0 - 5.6-10.6 QG2 ILE 15 - HD3 LYS 20 far 0 68 0 - 5.8-9.0 QG2 ILE 15 - HD2 LYS 20 far 0 65 0 - 5.8-8.4 QD1 LEU 57 - HB3 ARG 91 far 0 30 0 - 5.9-8.0 QD1 ILE 93 - HB3 ARG 91 far 0 36 0 - 6.1-7.2 QD1 ILE 76 - HD2 LYS 73 far 0 100 0 - 6.2-9.4 QD2 LEU 2 - HD3 LYS 47 far 0 47 0 - 6.4-11.4 QD1 ILE 93 - HD2 LYS 20 far 0 52 0 - 6.5-9.1 QD1 ILE 76 - HD3 LYS 73 far 0 100 0 - 6.6-10.0 QD1 ILE 93 - HD3 LYS 20 far 0 55 0 - 6.8-9.7 QG2 ILE 52 - HD2 LYS 47 far 0 45 0 - 6.8-9.6 QD1 ILE 76 - HD3 LYS 47 far 0 50 0 - 7.0-8.9 QD2 LEU 42 - HD2 LYS 73 far 0 79 0 - 7.1-10.1 QG2 ILE 52 - HD3 LYS 47 far 0 44 0 - 7.3-9.7 QD2 LEU 57 - HB3 ARG 91 far 0 50 0 - 7.3-9.1 QD1 ILE 76 - HD2 LYS 47 far 0 51 0 - 7.4-9.6 QD2 LEU 42 - HD3 LYS 73 far 0 79 0 - 7.4-10.4 QG2 ILE 7 - HD2 LYS 20 far 0 70 0 - 8.0-10.9 QD2 LEU 38 - HD3 LYS 73 far 0 82 0 - 8.4-12.3 QG2 ILE 7 - HD3 LYS 20 far 0 74 0 - 8.4-11.3 QD1 ILE 15 - HD2 LYS 20 far 0 39 0 - 8.5-10.9 QD1 ILE 15 - HD3 LYS 20 far 0 41 0 - 8.6-11.3 QD2 LEU 38 - HD2 LYS 73 far 0 82 0 - 8.7-12.1 QD2 LEU 42 - HD3 LYS 47 far 0 33 0 - 8.9-11.3 QG1 VAL 54 - HD2 LYS 47 far 0 29 0 - 9.1-12.9 QD1 LEU 6 - HD3 LYS 47 far 0 37 0 - 9.2-13.4 QG1 VAL 54 - HD3 LYS 47 far 0 28 0 - 9.3-13.2 QD2 LEU 42 - HD2 LYS 47 far 0 34 0 - 9.3-11.1 QD1 LEU 6 - HD2 LYS 47 far 0 38 0 - 9.4-13.4 QD1 LEU 27 - HB3 ARG 91 far 0 35 0 - 9.5-10.8 QD1 LEU 6 - HD3 LYS 73 far 0 85 0 - 9.5-13.7 QG2 VAL 32 - HD3 LYS 73 far 0 65 0 - 10.0-14.9 Violated in 9 structures by 0.55 A. Peak 10859 from cnoeabs.peaks (4.17, 4.40, 55.19 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 73 + HA MET 74 OK 99 100 100 99 4.6-4.7 4.8=78, ~7213=39...(18) HA GLN 72 - HA MET 74 far 0 94 0 - 6.1-6.5 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 3.2-5.6 9551/2.9=93, 9552/2.9=89...(11) HA GLU 43 + HB2 MET 74 OK 55 75 100 73 4.6-6.1 9610/4.2=54...(3) HB3 SER 49 - HB2 MET 74 far 0 100 0 - 7.8-10.2 HA LYS 40 - HB2 MET 74 far 0 98 0 - 8.5-9.7 HA ALA 67 - HB2 MET 74 far 0 100 0 - 8.6-10.9 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 2.7-5.3 9551/2.9=91, 9552/2.9=86...(19) HB3 SER 49 - HB3 MET 74 far 0 93 0 - 8.0-11.0 HA LYS 68 - HB3 MET 74 far 0 73 0 - 8.1-11.2 HA ALA 67 - HB3 MET 74 far 0 96 0 - 8.5-10.7 HA LYS 40 - HB3 MET 74 far 0 82 0 - 8.7-10.0 HA LEU 38 - HB3 MET 74 far 0 65 0 - 9.0-10.9 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 3 assignments used, quality = 1.00: HA LYS 73 + HG3 MET 74 OK 100 100 100 100 5.3-6.8 3.6/7229=97...(12) HB2 SER 59 + HB VAL 58 OK 64 64 100 100 4.6-5.9 6963/4.4=86, ~10726=78...(8) HA GLN 72 + HG3 MET 74 OK 47 98 55 87 6.1-7.9 10848/7229=57...(4) Violated in 0 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (4.05, 2.62, 33.04 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.93: HA LEU 70 + HG3 MET 74 OK 80 81 100 100 3.9-6.1 10282/3.4=80...(12) HB3 SER 59 + HB VAL 58 OK 63 63 100 100 4.5-5.3 6964/4.4=90, ~10726=84...(9) HA ARG 46 - HG3 MET 74 far 8 84 10 - 7.1-9.8 HB2 SER 49 - HG3 MET 74 far 0 99 0 - 9.1-13.1 HA LYS 66 - HB VAL 58 far 0 44 0 - 9.1-10.0 HA LYS 66 - HG3 MET 74 far 0 77 0 - 9.4-11.8 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 = 0.99: HG3 GLU 75 + HA MET 74 OK 78 99 95 83 3.3-5.6 10864/3.0=25...(11) HG2 GLU 75 + HA MET 74 OK 77 100 95 81 4.0-6.5 3402/3.6=24, 4.0/9624=21...(10) HB3 GLU 75 + HA MET 74 OK 72 88 95 86 4.3-5.2 ~9625=27, 2.9/9624=25...(12) HB2 GLU 75 - HA MET 74 far 4 75 5 - 3.9-5.8 HG2 GLU 43 - HA MET 74 far 0 90 0 - 6.6-8.6 HB2 GLN 72 - HA MET 74 far 0 100 0 - 7.2-7.7 Violated in 1 structures by 0.02 A. Peak 10868 from cnoeabs.peaks (0.89, 2.00, 17.28 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.90: QG2 ILE 76 + QE MET 74 OK 79 99 80 99 4.0-6.1 3.2/9606=59...(23) QD1 LEU 38 + QE MET 74 OK 54 75 85 85 3.9-6.9 8912/9587=45...(9) QG1 VAL 32 - QE MET 74 far 0 96 0 - 7.1-8.3 HG13 ILE 8 - QE MET 74 far 0 100 0 - 9.6-11.3 QD1 LEU 2 - QE MET 74 far 0 99 0 - 9.7-12.5 Violated in 2 structures by 0.02 A. Peak 10869 from cnoeabs.peaks (2.89, 2.00, 17.28 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.86: HE2 LYS 39 + QE MET 74 OK 64 96 70 95 3.6-5.6 3.5/12073=58...(9) HE3 LYS 39 + QE MET 74 OK 61 99 65 95 2.5-6.0 3.5/12073=58...(9) HE3 LYS 66 - QE MET 74 far 0 96 0 - 8.7-13.4 HE2 LYS 66 - QE MET 74 far 0 99 0 - 9.5-12.7 Violated in 9 structures by 0.19 A. Peak 10870 from cnoeabs.peaks (3.73, 2.00, 17.28 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.90: HA LEU 42 + QE MET 74 OK 90 90 100 100 3.8-4.2 10343=81, 3.6/12303=76...(18) HA GLU 37 - QE MET 74 far 0 94 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 10871 from cnoeabs.peaks (1.41, 4.40, 55.19 ppm; 5.36 A): 1 out of 3 assignments used, quality = 0.84: HG13 ILE 76 + HA MET 74 OK 84 84 100 100 3.8-6.0 ~9664=53, ~9591=51...(23) HG3 LYS 39 - HA MET 74 far 4 75 5 - 6.1-8.8 QB ALA 71 - HA MET 74 far 0 100 0 - 6.4-7.1 Violated in 8 structures by 0.12 A. Peak 10875 from cnoeabs.peaks (3.87, 1.44, 26.75 ppm; 4.04 A): 4 out of 19 assignments used, quality = 0.97: HA ARG 91 + HG3 ARG 91 OK 84 84 100 100 2.9-3.8 4.0=100 HA LEU 38 + HG LEU 38 OK 58 58 100 100 2.9-3.7 3.7=100 HA GLU 35 + HG LEU 38 OK 51 54 100 95 2.4-4.4 10168/2.1=42...(23) HA ALA 67 + HG LEU 38 OK 22 48 60 76 2.0-6.7 1659/2.1=33, ~9526=22...(13) HB3 SER 49 - HG13 ILE 76 poor 19 95 20 - 4.2-8.5 HA ALA 71 - HG13 ILE 76 poor 16 81 20 - 4.0-6.9 HA GLU 43 - HG13 ILE 76 far 10 99 10 - 4.6-6.3 HA ALA 89 - HG3 ARG 91 far 7 68 10 - 4.6-7.9 HA GLU 63 - HG LEU 38 far 0 26 0 - 6.0-9.1 HA ALA 71 - HG LEU 38 far 0 40 0 - 6.2-9.7 HA LYS 40 - HG LEU 38 far 0 56 0 - 7.0-9.6 HA LYS 94 - HG3 ARG 91 far 0 88 0 - 7.1-9.3 HB2 SER 85 - HG3 ARG 91 far 0 65 0 - 7.3-10.4 HB2 SER 102 - HG3 ARG 91 far 0 78 0 - 8.8-20.4 HA ALA 89 - HG LEU 29 far 0 64 0 - 8.8-9.7 HA LEU 38 - HG LEU 29 far 0 85 0 - 9.8-10.8 HA GLU 43 - HG LEU 38 far 0 56 0 - 9.8-11.9 HA LYS 12 - HG LEU 29 far 0 74 0 - 10.0-11.5 HA LYS 40 - HG13 ILE 76 far 0 99 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 10876 from cnoeabs.peaks (1.97, 1.44, 26.75 ppm; 4.31 A): 5 out of 20 assignments used, quality = 1.00: HB3 MET 74 + HG13 ILE 76 OK 100 100 100 100 2.0-4.5 9665/1.8=49, ~9664=46...(27) HB3 ARG 46 + HG13 ILE 76 OK 70 100 70 100 2.5-6.3 3.0/10177=52, ~9639=41...(30) HB2 ARG 46 + HG13 ILE 76 OK 69 99 70 100 2.0-6.5 3.0/10177=52, ~9639=41...(30) QE MET 74 + HG13 ILE 76 OK 41 65 65 97 3.6-5.8 9606/1.8=39, 9604/2.1=30...(20) HB2 GLU 37 + HG LEU 38 OK 21 54 40 95 3.1-6.5 8837/2.1=74, 6581/5.3=41...(10) HB VAL 32 - HG LEU 38 poor 17 43 40 - 4.0-6.5 HB3 ARG 19 - HG LEU 29 poor 12 49 25 - 4.5-7.7 QE MET 74 - HG LEU 38 far 0 31 0 - 5.7-8.0 HG3 GLU 88 - HG3 ARG 91 far 0 75 0 - 5.8-8.0 HB2 LYS 73 - HG13 ILE 76 far 0 99 0 - 7.0-9.8 HB2 GLU 17 - HG3 ARG 91 far 0 72 0 - 7.1-13.0 HB3 LYS 73 - HG13 ILE 76 far 0 99 0 - 7.2-9.8 HB2 LYS 73 - HG LEU 38 far 0 56 0 - 7.9-12.5 HB VAL 32 - HG LEU 29 far 0 66 0 - 8.1-8.9 HB2 GLU 44 - HG13 ILE 76 far 0 68 0 - 8.7-10.3 HB3 MET 74 - HG LEU 38 far 0 58 0 - 8.8-11.3 HB2 LYS 47 - HG13 ILE 76 far 0 100 0 - 9.1-12.0 HB3 LYS 73 - HG LEU 38 far 0 56 0 - 9.2-13.5 HB3 LYS 20 - HG LEU 29 far 0 57 0 - 9.3-10.6 HB3 GLU 44 - HG13 ILE 76 far 0 68 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 10877 from cnoeabs.peaks (0.69, 0.88, 17.57 ppm; 3.25 A): 3 out of 11 assignments used, quality = 0.81: QD1 ILE 52 + QG2 ILE 76 OK 53 100 60 89 3.0-4.7 10640=28, 9027/9025=28...(18) QG2 VAL 54 + QG2 ILE 76 OK 45 57 100 79 2.8-3.7 11070=38, 2.1/9233=32...(14) QG2 VAL 78 + QG2 ILE 76 OK 28 82 35 97 2.1-5.1 2.1/10906=64...(19) QD1 LEU 42 - QG2 ILE 76 far 5 100 5 - 4.0-5.6 QD1 ILE 56 - QG2 ILE 76 far 0 98 0 - 5.3-6.5 HG13 ILE 56 - QG2 ILE 76 far 0 92 0 - 6.8-8.6 QD2 LEU 6 - QG2 ILE 76 far 0 99 0 - 7.0-8.5 QG1 VAL 5 - QG2 ILE 76 far 0 73 0 - 8.8-9.8 QD1 ILE 8 - QG2 ILE 76 far 0 96 0 - 9.0-10.8 QD2 LEU 27 - QG2 ILE 76 far 0 68 0 - 9.5-10.4 QG1 VAL 58 - QG2 ILE 76 far 0 84 0 - 9.8-11.3 Violated in 2 structures by 0.01 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 2.7-3.8 3.0/10286=66...(23) HA GLU 37 - QD1 ILE 76 far 0 97 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 10879 from cnoeabs.peaks (2.63, 0.80, 13.65 ppm; 5.45 A): 1 out of 3 assignments used, quality = 1.00: HG3 MET 74 + QD1 ILE 76 OK 100 100 100 100 2.7-4.3 1.8/10880=78...(28) HB3 TYR 41 - QD1 ILE 76 far 0 98 0 - 6.4-7.2 HB3 ASP 77 - QD1 ILE 76 far 0 99 0 - 6.4-7.3 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 3.7-4.6 1.8/10879=86...(25) HG3 GLN 72 - QD1 ILE 76 far 0 98 0 - 7.4-9.5 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 2.0-3.7 9020=99, 1.8/9017=76...(27) HB2 ASP 77 - QD1 ILE 76 far 0 93 0 - 6.4-7.7 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 2.0-3.4 1.8/9020=94, 9017=88...(27) 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 2 assignments used, quality = 0.98: HB3 LEU 42 + QG2 ILE 76 OK 98 98 100 100 3.2-5.0 10884/2.1=57...(27) HG LEU 3 - QG2 ILE 76 far 0 99 0 - 8.4-10.6 Violated in 3 structures by 0.02 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 3.6-4.8 10883/2.1=90...(28) QB ALA 67 - HB ILE 76 far 0 63 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (5.17, 0.80, 13.65 ppm; 6.29 A): 1 out of 4 assignments used, quality = 0.85: HA VAL 78 + QD1 ILE 76 OK 85 85 100 100 6.7-7.0 9635/3452=85, ~10906=71...(16) HA VAL 54 - QD1 ILE 76 far 0 99 0 - 7.6-8.8 HA LEU 3 - QD1 ILE 76 far 0 59 0 - 9.3-10.6 HA TYR 4 - QD1 ILE 76 far 0 87 0 - 9.6-10.9 Violated in 20 structures by 0.62 A. Peak 10886 from cnoeabs.peaks (6.99, 1.09, 26.75 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.96: HE ARG 91 + HG2 ARG 91 OK 96 96 100 100 2.1-3.2 4.0=100 QD PHE 96 - HG2 ARG 91 far 0 53 0 - 9.1-11.6 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 3.6-4.8 6741/9630=77...(14) H ALA 71 + QD1 ILE 76 OK 59 99 60 99 5.2-7.0 ~10837=52, ~10834=48...(12) Violated in 0 structures by 0.00 A. Peak 10888 from cnoeabs.peaks (8.50, 0.80, 13.65 ppm; 5.81 A): 0 out of 5 assignments used, quality = 0.00: H VAL 54 - QD1 ILE 76 far 15 98 15 - 6.5-8.0 H LYS 53 - QD1 ILE 76 far 0 65 0 - 7.6-9.2 H ARG 79 - QD1 ILE 76 far 0 100 0 - 8.2-8.6 H ASN 51 - QD1 ILE 76 far 0 75 0 - 8.3-10.8 H ALA 67 - QD1 ILE 76 far 0 88 0 - 9.8-11.6 Violated in 20 structures by 0.49 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 4.8-7.0 3.0/9673=87...(12) HG2 ARG 46 - HB2 ASP 77 far 0 96 0 - 7.4-11.3 HB2 GLU 104 - HB2 ASP 77 far 0 73 0 - 9.2-18.9 Violated in 11 structures by 0.27 A. Peak 10893 from cnoeabs.peaks (1.66, 3.21, 40.23 ppm; 5.48 A): 3 out of 4 assignments used, quality = 0.98: HB ILE 76 + HB2 ASP 77 OK 89 94 95 100 5.5-6.8 7263/7269=80...(13) HB ILE 52 + HB2 ASP 77 OK 55 99 90 62 4.3-7.4 ~12317=30, 2349/9679=26...(5) HB3 LYS 53 + HB2 ASP 77 OK 53 88 60 100 5.8-8.0 3.0/9673=88...(12) HB3 ARG 79 - HB2 ASP 77 far 0 99 0 - 6.9-10.0 Violated in 1 structures by 0.01 A. Peak 10894 from cnoeabs.peaks (0.86, 3.21, 40.23 ppm; 5.66 A): 1 out of 5 assignments used, quality = 0.87: QG2 ILE 76 + HB2 ASP 77 OK 87 87 100 100 3.4-4.9 4.3/7269=84, 9676/3.0=80...(16) QD2 LEU 103 - HB2 ASP 77 far 7 71 10 - 4.8-13.8 QD1 LEU 103 - HB2 ASP 77 far 5 100 5 - 4.6-13.8 QD1 LEU 2 - HB2 ASP 77 far 0 88 0 - 7.3-10.5 QD1 LEU 38 - HB2 ASP 77 far 0 100 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 10895 from cnoeabs.peaks (0.73, 3.21, 40.23 ppm; 5.99 A): 3 out of 8 assignments used, quality = 1.00: QG1 VAL 78 + HB2 ASP 77 OK 97 97 100 100 4.3-6.2 10906/10894=74, ~8181=66...(13) QG2 VAL 78 + HB2 ASP 77 OK 94 99 95 100 4.3-7.0 8181/3.0=88, ~9682=63...(14) QD1 ILE 52 + HB2 ASP 77 OK 40 63 85 74 5.1-8.0 ~12317=31, 10897/7269=22...(8) QG1 VAL 54 - HB2 ASP 77 far 4 77 5 - 6.9-9.0 QD2 LEU 42 - HB2 ASP 77 lone 1 68 65 2 6.2-7.7 QD1 ILE 56 - HB2 ASP 77 far 0 87 0 - 7.8-9.3 QD1 LEU 6 - HB2 ASP 77 far 0 59 0 - 8.5-11.2 HG13 ILE 56 - HB2 ASP 77 far 0 95 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 10900 from cnoeabs.peaks (4.69, 0.74, 21.24 ppm; 4.44 A): 4 out of 9 assignments used, quality = 0.97: HA ARG 79 + QG1 VAL 78 OK 83 94 90 98 3.7-5.5 ~7285=46, ~7286=39...(20) HA LEU 55 + QG1 VAL 54 OK 64 66 100 97 3.6-4.3 2.9/6905=46, ~6904=45...(12) HA ARG 79 + QG2 VAL 78 OK 43 59 75 98 3.3-5.5 3.0/7286=53, ~7285=46...(19) HA LEU 55 + QG2 VAL 78 OK 26 52 70 71 3.1-5.9 11117/4.3=46...(14) HA LEU 55 - QG1 VAL 78 poor 18 87 30 69 3.1-6.4 11117/4.3=46, ~12107=13...(9) HA ARG 79 - QG1 VAL 54 far 0 74 0 - 6.2-7.3 HA LYS 82 - QG2 VAL 78 far 0 66 0 - 8.5-11.8 HA LYS 82 - QG1 VAL 78 far 0 100 0 - 9.0-12.0 HA LYS 82 - QG1 VAL 54 far 0 82 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10901 from cnoeabs.peaks (4.69, 0.72, 21.10 ppm; 4.53 A): 4 out of 10 assignments used, quality = 0.98: HA ARG 79 + QG2 VAL 78 OK 75 90 85 99 3.3-5.5 3.0/7286=66, ~7285=48...(20) HA LEU 55 + QG1 VAL 5 OK 64 64 100 100 4.2-4.9 ~8198=43, ~12108=41...(22) HA LEU 55 + QG2 VAL 78 OK 53 92 70 83 3.1-5.9 11117/4.3=52...(15) HA ARG 79 + QG1 VAL 78 OK 51 55 95 98 3.7-5.5 ~7285=48, ~7286=40...(20) HA LEU 55 - QG1 VAL 78 poor 20 57 35 - 3.1-6.4 HA LEU 27 - QG1 VAL 5 far 0 40 0 - 6.7-8.5 HA LYS 82 - QG1 VAL 5 far 0 72 0 - 7.9-9.4 HA ARG 79 - QG1 VAL 5 far 0 62 0 - 8.0-9.1 HA LYS 82 - QG2 VAL 78 far 0 99 0 - 8.5-11.8 HA LYS 82 - QG1 VAL 78 far 0 64 0 - 9.0-12.0 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 6 assignments used, quality = 0.99: HA ASP 77 + QG2 VAL 78 OK 97 98 100 99 3.5-5.4 7274/4.0=76, 9682/2.1=63...(12) HA ASP 77 + QG1 VAL 78 OK 60 64 95 99 3.2-5.5 7274/4.0=76, 9682/2.1=63...(13) HA PHE 45 - QG2 VAL 78 far 0 63 0 - 6.3-9.7 HA PHE 45 - QG1 VAL 78 far 0 36 0 - 6.8-8.4 HA HIS 105 - QG2 VAL 78 far 0 65 0 - 9.2-17.8 HA HIS 105 - QG1 VAL 78 far 0 37 0 - 9.9-16.6 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 95 95 100 100 3.2-5.5 7274/4.0=75, 9682/2.1=66...(13) HA ASP 77 + QG2 VAL 78 OK 59 60 100 99 3.5-5.4 7274/4.0=75, 9682/2.1=66...(11) HA PHE 45 - QG1 VAL 54 far 0 54 0 - 5.9-7.0 HA PHE 45 - QG2 VAL 78 far 0 42 0 - 6.3-9.7 HA PHE 45 - QG1 VAL 78 far 0 73 0 - 6.8-8.4 HA ASP 77 - QG1 VAL 54 far 0 75 0 - 7.2-8.0 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 15 assignments used, quality = 0.92: HA ALA 71 + QG1 VAL 78 OK 75 75 100 100 2.4-4.6 2.1/10210=60, ~9685=53...(18) HA ALA 71 + QG2 VAL 78 OK 39 44 90 100 2.6-5.5 ~10210=57, ~9685=53...(16) HA LYS 68 + QG2 VAL 78 OK 27 65 75 55 2.9-6.3 8509=19, 9687/2.1=10...(8) HA LYS 68 + QG1 VAL 78 OK 25 99 45 57 4.3-5.6 8509/2.1=16...(7) HA ALA 67 - QG2 VAL 78 far 2 33 5 - 5.1-7.3 HA ALA 67 - QG1 VAL 78 far 0 59 0 - 5.6-6.9 HA ALA 71 - QG1 VAL 54 far 0 56 0 - 6.1-7.7 HB3 SER 102 - QG1 VAL 78 far 0 100 0 - 6.5-16.1 HA ALA 67 - QG1 VAL 54 far 0 43 0 - 7.2-8.1 HA LYS 68 - QG1 VAL 54 far 0 81 0 - 7.3-8.5 HB3 SER 102 - QG1 VAL 54 far 0 83 0 - 7.9-16.2 HB3 SER 102 - QG2 VAL 78 far 0 67 0 - 8.2-16.9 HA ALA 22 - QG1 VAL 54 far 0 79 0 - 9.0-10.0 HA SER 97 - QG1 VAL 54 far 0 83 0 - 9.2-10.3 HA ARG 19 - QG1 VAL 54 far 0 83 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10905 from cnoeabs.peaks (3.82, 0.72, 21.10 ppm; 4.02 A): 3 out of 15 assignments used, quality = 0.92: HA ALA 71 + QG2 VAL 78 OK 74 82 90 99 2.6-5.5 ~10210=51, ~9685=48...(17) HA ALA 71 + QG1 VAL 78 OK 48 49 100 99 2.4-4.6 ~9685=48, ~10835=48...(19) HA LYS 68 + QG2 VAL 78 OK 43 98 75 59 2.9-6.3 4.9/10194=18, 8509=12...(9) HA LYS 68 - QG1 VAL 78 poor 13 63 20 - 4.3-5.6 HA ALA 22 - QG1 VAL 5 far 4 74 5 - 4.8-6.3 HA ARG 19 - QG1 VAL 5 far 0 74 0 - 4.9-6.0 HA ALA 67 - QG2 VAL 78 far 0 68 0 - 5.1-7.3 HA ALA 67 - QG1 VAL 78 far 0 38 0 - 5.6-6.9 HB3 SER 102 - QG1 VAL 78 far 0 66 0 - 6.5-16.1 HB3 SER 49 - QG1 VAL 78 far 0 34 0 - 7.0-11.3 HA SER 97 - QG1 VAL 5 far 0 76 0 - 7.1-8.8 HB3 SER 49 - QG2 VAL 78 far 0 61 0 - 7.5-11.6 HB3 SER 102 - QG1 VAL 5 far 0 74 0 - 8.0-15.6 HB3 SER 102 - QG2 VAL 78 far 0 99 0 - 8.2-16.9 HA ALA 67 - QG1 VAL 5 far 0 44 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (0.86, 0.74, 21.24 ppm; 2.95 A): 1 out of 29 assignments used, quality = 0.60: QG2 ILE 76 + QG1 VAL 78 OK 60 92 75 87 1.9-4.8 10287/2.1=23...(23) QG2 ILE 76 - QG2 VAL 78 poor 17 57 30 - 2.1-5.1 QD1 LEU 38 - QG1 VAL 78 far 5 100 5 - 3.8-7.0 QD1 LEU 38 - QG1 VAL 54 far 4 83 5 - 3.7-7.3 QD1 LEU 38 - QG2 VAL 78 lone 0 67 35 1 3.6-6.6 QG2 ILE 76 - QG1 VAL 54 far 0 71 0 - 4.6-5.5 QG2 VAL 32 - QG1 VAL 54 far 0 54 0 - 4.9-5.6 QD1 LEU 103 - QG2 VAL 78 far 0 68 0 - 5.6-14.5 QD1 LEU 57 - QG1 VAL 78 far 0 65 0 - 5.7-9.8 QD1 LEU 57 - QG1 VAL 54 far 0 48 0 - 5.7-7.7 QD1 LEU 57 - QG2 VAL 78 far 0 37 0 - 5.8-9.8 QD1 LEU 103 - QG1 VAL 78 far 0 100 0 - 6.1-14.8 QG2 VAL 32 - QG1 VAL 78 far 0 73 0 - 6.2-8.0 QD2 LEU 103 - QG2 VAL 78 far 0 36 0 - 6.3-13.2 QG2 VAL 32 - QG2 VAL 78 far 0 42 0 - 6.4-7.7 QD2 LEU 103 - QG1 VAL 78 far 0 63 0 - 6.8-13.3 QD1 LEU 2 - QG1 VAL 54 far 0 72 0 - 6.9-9.3 HG13 ILE 8 - QG1 VAL 54 far 0 66 0 - 7.0-8.8 QD2 LEU 64 - QG2 VAL 78 far 0 68 0 - 7.2-10.2 HG13 ILE 8 - QG2 VAL 78 far 0 52 0 - 7.3-10.3 HG13 ILE 8 - QG1 VAL 78 far 0 87 0 - 7.6-10.8 QD1 LEU 103 - QG1 VAL 54 far 0 83 0 - 7.9-16.1 QD2 LEU 64 - QG1 VAL 78 far 0 100 0 - 8.2-10.0 QD1 LEU 2 - QG1 VAL 78 far 0 93 0 - 8.2-10.3 QD1 LEU 2 - QG2 VAL 78 far 0 58 0 - 8.5-11.4 HG13 ILE 7 - QG1 VAL 54 far 0 57 0 - 8.7-9.8 QD2 LEU 103 - QG1 VAL 54 far 0 46 0 - 9.1-15.2 QD2 LEU 64 - QG1 VAL 54 far 0 83 0 - 9.8-10.9 HG13 ILE 7 - QG1 VAL 78 far 0 77 0 - 10.0-13.4 Violated in 5 structures by 0.38 A. Peak 10907 from cnoeabs.peaks (0.95, 0.72, 21.10 ppm; 2.94 A): 2 out of 15 assignments used, quality = 0.90: 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 63 73 95 91 2.3-3.9 2.1/8195=26, ~8197=24...(25) QG2 THR 80 - QG2 VAL 78 poor 13 84 40 38 3.3-6.4 10288/2.1=10...(8) QG2 THR 80 - QG1 VAL 78 far 0 50 0 - 3.9-6.3 HG LEU 55 - QG1 VAL 78 far 0 65 0 - 5.3-8.7 HG LEU 55 - QG2 VAL 78 far 0 99 0 - 5.6-8.2 QG2 VAL 5 - QG1 VAL 78 far 0 66 0 - 5.7-8.1 QG2 VAL 83 - QG1 VAL 5 far 0 74 0 - 5.7-6.9 QG2 VAL 5 - QG2 VAL 78 far 0 99 0 - 6.1-8.7 HB2 ARG 81 - QG1 VAL 5 far 0 62 0 - 6.3-8.6 QG2 THR 80 - QG1 VAL 5 far 0 57 0 - 6.6-7.5 HB2 ARG 81 - QG2 VAL 78 far 0 90 0 - 7.3-10.9 HB2 ARG 81 - QG1 VAL 78 far 0 55 0 - 8.2-11.3 QG2 VAL 83 - QG2 VAL 78 far 0 99 0 - 9.2-11.7 QG2 VAL 83 - QG1 VAL 78 far 0 65 0 - 9.3-12.0 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 = 0.97: QG2 VAL 78 + HB3 ARG 79 OK 74 100 75 99 3.9-6.9 4.3/7290=77, 3.2/9690=29...(19) HG3 ARG 81 + HB3 ARG 79 OK 68 90 90 84 4.0-8.0 1.8/9694=41...(8) QG1 VAL 78 + HB3 ARG 79 OK 44 81 55 99 4.5-6.9 4.3/7290=77, 3.2/9690=29...(19) QD1 ILE 56 + HB3 ARG 79 OK 35 99 55 64 5.7-7.3 5.0/9699=42...(6) HG13 ILE 56 - HB3 ARG 79 far 15 100 15 - 5.3-9.4 QG1 VAL 5 - HB3 ARG 79 far 5 99 5 - 6.0-8.6 QD1 LEU 64 - HB3 ARG 79 far 0 87 0 - 6.4-8.0 QG2 ILE 93 - HB3 ARG 79 far 0 71 0 - 7.7-11.1 HG13 ILE 93 - HB3 ARG 79 far 0 84 0 - 7.8-11.9 QG1 VAL 58 - HB3 ARG 79 far 0 100 0 - 8.0-10.0 QD1 ILE 8 - HB3 ARG 79 far 0 99 0 - 8.7-11.4 QD2 LEU 27 - HB3 ARG 79 far 0 98 0 - 9.0-12.0 QD2 LEU 6 - HB3 ARG 79 far 0 75 0 - 9.2-12.0 QD1 LEU 42 - HB3 ARG 79 far 0 79 0 - 9.4-11.0 QD1 ILE 52 - HB3 ARG 79 far 0 88 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 10909 from cnoeabs.peaks (0.73, 1.60, 31.20 ppm; 5.57 A): 4 out of 16 assignments used, quality = 0.99: QG2 VAL 78 + HB2 ARG 79 OK 79 100 80 99 4.1-6.8 4.3/7289=80, 3.2/9690=30...(18) HG3 ARG 81 + HB2 ARG 79 OK 77 98 95 83 3.4-7.1 1.8/9693=37, ~9694=33...(8) QG1 VAL 78 + HB2 ARG 79 OK 60 93 65 99 4.2-6.9 4.3/7289=80, 3.2/9690=30...(20) QD1 ILE 56 + HB2 ARG 79 OK 38 93 60 68 5.5-7.2 5.0/9698=46...(5) HG13 ILE 56 - HB2 ARG 79 poor 20 98 25 81 5.1-8.9 4.9/9698=46...(6) QG1 VAL 5 - HB2 ARG 79 far 15 100 15 - 5.9-8.7 QG1 VAL 54 - HB2 ARG 79 poor 12 68 40 43 5.5-7.4 10662/9698=19...(5) QD1 LEU 64 - HB2 ARG 79 far 10 96 10 - 6.2-7.8 QG2 ILE 93 - HB2 ARG 79 far 0 87 0 - 8.3-10.8 QG1 VAL 58 - HB2 ARG 79 far 0 100 0 - 8.4-10.0 HG13 ILE 93 - HB2 ARG 79 far 0 95 0 - 8.5-11.6 QD2 LEU 6 - HB2 ARG 79 far 0 57 0 - 8.7-11.7 QD1 ILE 8 - HB2 ARG 79 far 0 95 0 - 8.8-11.6 QD2 LEU 27 - HB2 ARG 79 far 0 100 0 - 9.2-11.2 QD1 LEU 42 - HB2 ARG 79 far 0 61 0 - 9.2-11.0 QD1 ILE 52 - HB2 ARG 79 far 0 73 0 - 9.9-12.1 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 = 0.96: QG2 VAL 78 + HD2 ARG 79 OK 79 97 90 91 3.5-6.3 7286/5.8=31...(18) QG2 VAL 78 + HD3 ARG 79 OK 52 97 60 90 4.3-6.0 7286/5.8=31...(17) QG1 VAL 78 + HD2 ARG 79 OK 48 99 55 88 4.0-7.1 4.3/7293=28...(13) QG1 VAL 78 + HD3 ARG 79 OK 30 99 35 88 4.5-7.1 4.3/7293=29...(13) QG1 VAL 54 - HD3 ARG 79 far 13 84 15 - 5.3-8.3 QG1 VAL 54 - HD2 ARG 79 far 8 84 10 - 4.7-7.7 HG3 ARG 81 - HD3 ARG 79 far 5 100 5 - 4.9-10.3 QD1 ILE 56 - HD2 ARG 79 far 4 81 5 - 5.1-7.9 QD1 ILE 56 - HD3 ARG 79 far 0 80 0 - 5.5-8.9 QG1 VAL 5 - HD3 ARG 79 far 0 99 0 - 5.6-10.1 HG3 ARG 81 - HD2 ARG 79 far 0 100 0 - 5.7-11.2 QG1 VAL 5 - HD2 ARG 79 far 0 99 0 - 5.9-9.7 HG13 ILE 56 - HD3 ARG 79 far 0 91 0 - 6.0-11.0 HG13 ILE 56 - HD2 ARG 79 far 0 91 0 - 6.5-9.9 QD2 LEU 42 - HD2 ARG 79 far 0 75 0 - 6.7-9.3 QD1 LEU 27 - HD3 ARG 79 far 0 71 0 - 6.8-10.9 QD2 LEU 42 - HD3 ARG 79 far 0 75 0 - 7.1-9.7 QD1 LEU 6 - HD2 ARG 79 far 0 68 0 - 7.5-10.3 QD1 LEU 64 - HD3 ARG 79 far 0 100 0 - 7.5-9.4 QD1 LEU 6 - HD3 ARG 79 far 0 67 0 - 7.6-10.9 QG2 ILE 93 - HD3 ARG 79 far 0 96 0 - 7.7-12.1 HG13 ILE 93 - HD3 ARG 79 far 0 99 0 - 7.7-14.0 QD2 LEU 27 - HD3 ARG 79 far 0 100 0 - 8.0-11.7 QD1 LEU 27 - HD2 ARG 79 far 0 71 0 - 8.0-10.0 QD1 LEU 64 - HD2 ARG 79 far 0 100 0 - 8.1-9.7 QD1 ILE 93 - HD3 ARG 79 far 0 69 0 - 8.3-12.4 HG13 ILE 93 - HD2 ARG 79 far 0 99 0 - 8.7-14.0 QG2 ILE 93 - HD2 ARG 79 far 0 96 0 - 8.8-11.0 QG1 VAL 58 - HD2 ARG 79 far 0 96 0 - 8.9-12.0 QD2 LEU 27 - HD2 ARG 79 far 0 100 0 - 9.0-10.8 QD1 ILE 93 - HD2 ARG 79 far 0 70 0 - 9.1-12.0 QD1 ILE 8 - HD3 ARG 79 far 0 84 0 - 9.6-12.4 QG1 VAL 58 - HD3 ARG 79 far 0 96 0 - 9.6-11.8 QD1 ILE 8 - HD2 ARG 79 far 0 84 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 10911 from cnoeabs.peaks (0.99, 3.07, 43.09 ppm; 5.69 A): 2 out of 8 assignments used, quality = 0.43: HB3 LEU 55 + HD3 ARG 79 OK 26 65 40 99 3.5-8.5 3.1/9696=44, ~12330=43...(16) HG LEU 55 + HD3 ARG 79 OK 24 82 30 97 4.4-9.1 2.1/9696=48, ~9696=39...(11) HG LEU 55 - HD2 ARG 79 poor 16 82 20 - 4.8-8.7 HB3 LEU 55 - HD2 ARG 79 poor 16 65 25 - 4.2-7.8 QG2 THR 80 - HD2 ARG 79 far 5 99 5 - 6.3-8.5 QG2 THR 80 - HD3 ARG 79 far 0 98 0 - 7.0-8.4 QG1 VAL 83 - HD3 ARG 79 far 0 93 0 - 8.7-11.5 QG1 VAL 83 - HD2 ARG 79 far 0 93 0 - 9.2-11.7 Violated in 15 structures by 0.88 A. Peak 10912 from cnoeabs.peaks (6.96, 3.07, 43.09 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.99: QE PHE 96 + HD2 ARG 79 OK 89 100 100 89 2.5-4.6 10669/12330=29...(18) QE PHE 96 + HD3 ARG 79 OK 87 100 100 87 2.0-4.8 2.2/9700=24, ~9700=19...(18) Violated in 0 structures by 0.00 A. Peak 10914 from cnoeabs.peaks (9.20, 0.98, 22.13 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: H ILE 56 + QG2 THR 80 OK 100 100 100 100 3.7-4.4 9299/3.2=69...(15) H GLU 35 - QG2 THR 80 far 0 91 0 - 9.4-11.2 H THR 84 - QG2 THR 80 far 0 100 0 - 9.7-10.6 Violated in 4 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 4.7-5.8 4.1/9734=78, 4.4/9729=75...(15) H ASP 77 - QG2 THR 80 far 0 95 0 - 9.8-11.5 H VAL 5 - QG2 THR 80 far 0 98 0 - 9.8-10.7 Violated in 14 structures by 0.13 A. Peak 10916 from cnoeabs.peaks (3.78, 3.68, 69.77 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.97: HA LYS 68 + HB THR 80 OK 88 88 100 100 2.5-5.1 10260/2.1=63, ~9529=41...(18) HA LEU 64 + HB THR 80 OK 73 73 100 100 4.2-5.2 4.0/9724=63, 9476/2.1=53...(15) HB3 SER 102 - HB THR 80 far 0 81 0 - 8.4-20.7 Violated in 1 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 = 0.84: HG2 ARG 81 + QG2 THR 80 OK 64 97 75 88 4.4-6.8 4.9/7313=46, ~10923=28...(10) QD1 LEU 55 + QG2 THR 80 OK 55 90 65 94 4.4-5.8 6919/10914=48...(10) Violated in 20 structures by 0.16 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 5.0-6.0 7311/4.9=83, 9714/3.9=67...(9) Violated in 3 structures by 0.04 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 3.5-6.4 7311/4.9=93...(14) Violated in 0 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 = 0.78: HZ2 TRP 92 + HD2 ARG 81 OK 78 99 80 98 2.6-8.4 2.8/9975=71, 10003=47...(8) Violated in 11 structures by 0.52 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 3.7-5.2 6953/9760=94...(12) H ASP 61 + HG2 LYS 82 OK 58 61 95 100 4.5-7.0 4.6/9418=63, ~9766=56...(13) 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 2.2-5.8 9418=100, 9417/1.8=98...(19) H LEU 64 + HG2 LYS 82 OK 87 93 95 98 3.8-6.8 9467/9760=46...(13) 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 3.5-5.7 9417=99, 9418/1.8=85...(13) H LEU 64 + HG3 LYS 82 OK 78 99 85 93 5.5-6.8 9467/10222=49...(8) H SER 85 - HG3 LYS 82 poor 10 59 70 24 6.0-7.0 9778/7347=23 H GLU 37 - HG2 LYS 40 far 0 45 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 10930 from cnoeabs.peaks (7.75, 1.46, 28.90 ppm; 5.81 A): 4 out of 4 assignments used, quality = 1.00: H ASN 60 + HD2 LYS 82 OK 96 96 100 100 2.7-4.8 3.0/10581=95...(16) H GLU 37 + HD3 LYS 40 OK 89 99 90 100 4.9-7.5 ~1794=57, ~1782=56...(19) H LEU 64 + HD2 LYS 82 OK 79 81 100 99 4.6-5.9 4.5/10940=69...(12) H GLU 37 + HD2 LYS 40 OK 45 99 45 100 5.3-7.9 ~1794=57, ~1782=56...(18) 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 3.8-5.6 9443=99, 9444/1.8=90...(15) H VAL 58 + HD3 LYS 82 OK 63 81 80 98 5.6-7.0 4.0/9768=64...(8) 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 = 0.91: H GLU 62 + HD3 LYS 82 OK 75 95 80 99 5.3-7.8 3.6/9767=84...(7) H GLU 63 + HD3 LYS 82 OK 66 100 70 94 5.3-8.0 9456/9767=64...(6) Violated in 6 structures by 0.14 A. Peak 10933 from cnoeabs.peaks (7.71, 1.57, 28.90 ppm; 5.73 A): 2 out of 3 assignments used, quality = 0.99: H ASN 60 + HD3 LYS 82 OK 95 95 100 100 3.4-6.0 3.0/10938=97...(17) H LEU 64 + HD3 LYS 82 OK 90 100 90 100 4.1-6.8 9470/9767=72...(13) H SER 85 - HD3 LYS 82 far 0 85 0 - 7.0-9.7 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 95 100 95 100 3.8-6.1 10938/2.9=79...(12) HA VAL 83 + HG2 LYS 82 OK 93 98 95 100 3.9-6.0 3.0/7346=87, ~7347=60...(12) 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 2.2-4.3 10727/1.8=89...(8) Violated in 0 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 VAL 83 + HG3 LYS 82 OK 99 99 100 100 3.5-4.8 3.0/7347=89, ~7346=66...(12) HA ASN 60 + HG3 LYS 82 OK 95 100 95 100 4.3-6.0 10938/2.9=87...(11) 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 2.1-3.6 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 = 0.77: HA ASN 60 + HD3 LYS 82 OK 77 96 85 95 3.4-5.5 10581/1.8=66...(11) HA VAL 83 - HD3 LYS 82 far 5 100 5 - 4.5-7.0 Violated in 14 structures by 0.49 A. Peak 10940 from cnoeabs.peaks (0.85, 1.46, 28.90 ppm; 4.81 A): 1 out of 14 assignments used, quality = 0.99: QD2 LEU 64 + HD2 LYS 82 OK 99 99 100 100 4.1-5.0 10252/3.5=78...(15) QG2 VAL 32 - HD2 LYS 40 far 4 87 5 - 5.4-8.9 QG2 VAL 32 - HD3 LYS 40 far 4 86 5 - 5.6-8.0 QD1 LEU 57 - HB2 ARG 91 far 0 23 0 - 6.0-8.8 QD1 LEU 57 - HD2 LYS 82 far 0 82 0 - 7.3-8.8 QD2 LEU 38 - HD3 LYS 40 far 0 71 0 - 7.5-9.9 QD1 LEU 38 - HD3 LYS 40 far 0 99 0 - 7.7-9.3 QD2 LEU 38 - HD2 LYS 40 far 0 72 0 - 7.8-10.2 QD1 LEU 38 - HD2 LYS 40 far 0 99 0 - 8.0-9.7 QD1 LEU 70 - HD3 LYS 40 far 0 58 0 - 8.5-11.2 QD1 LEU 70 - HD2 LYS 40 far 0 58 0 - 8.5-11.2 QD1 LEU 103 - HB2 ARG 91 far 0 32 0 - 9.1-20.3 HG13 ILE 8 - HD2 LYS 82 far 0 71 0 - 9.8-12.2 HG13 ILE 7 - HD2 LYS 82 far 0 59 0 - 9.9-11.2 Violated in 6 structures by 0.04 A. Peak 10941 from cnoeabs.peaks (0.66, 1.46, 28.90 ppm; 5.71 A): 1 out of 9 assignments used, quality = 0.94: QG2 VAL 58 + HD2 LYS 82 OK 94 94 100 100 3.2-3.9 9763/2.9=93, 9760/2.9=91...(17) QD2 LEU 6 - HD2 LYS 40 poor 16 78 20 - 6.0-9.6 QD2 LEU 6 - HD3 LYS 40 far 8 77 10 - 6.0-8.9 QD1 LEU 14 - HD2 LYS 82 far 0 92 0 - 7.1-8.8 QD1 LEU 14 - HB2 ARG 91 far 0 28 0 - 8.0-10.6 QD1 LEU 42 - HD3 LYS 40 far 0 73 0 - 8.1-9.5 QD1 LEU 42 - HD2 LYS 40 far 0 74 0 - 8.3-9.4 QD1 LEU 29 - HB2 ARG 91 far 0 34 0 - 8.9-11.2 QD1 ILE 7 - HD2 LYS 82 far 0 63 0 - 9.2-10.2 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 2.5-4.7 10940/1.8=87...(16) QD1 LEU 57 - HD3 LYS 82 far 0 90 0 - 6.8-8.4 HG13 ILE 8 - HD3 LYS 82 far 0 61 0 - 9.7-12.6 QD2 LEU 38 - HD3 LYS 82 far 0 82 0 - 9.8-11.9 QD1 LEU 38 - HD3 LYS 82 far 0 99 0 - 9.8-13.3 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 3.9-4.5 3.0/9813=98, 3.6/9794=91...(26) HA LYS 90 + QG1 VAL 83 OK 63 100 65 97 6.1-7.1 4.8/9824=83...(5) HA LEU 14 - QG1 VAL 83 far 0 92 0 - 7.4-8.3 HB THR 80 - QG1 VAL 83 far 0 95 0 - 7.8-8.8 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 4.3-4.8 3.9/9796=96...(11) HB2 HIS 106 - QG1 VAL 83 far 0 99 0 - 10.0-21.7 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 4 assignments used, quality = 1.00: HB2 TRP 92 + QG1 VAL 83 OK 100 100 100 100 3.5-4.0 3.9/9796=95...(14) HB2 PHE 96 - QG1 VAL 83 far 0 100 0 - 8.5-9.4 HD3 ARG 79 - QG1 VAL 83 far 0 79 0 - 8.7-11.5 HD2 ARG 79 - QG1 VAL 83 far 0 75 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 10947 from cnoeabs.peaks (1.78, 1.24, 21.00 ppm; 5.17 A): 1 out of 4 assignments used, quality = 0.65: HB3 LYS 82 + QG2 THR 84 OK 65 98 70 95 4.7-7.6 3.5/9838=70...(3) HB2 GLU 88 - QG2 THR 84 poor 19 71 30 87 3.9-6.5 9831/7365=60...(6) HB3 GLU 63 - QG2 THR 84 far 0 100 0 - 7.6-11.1 HD2 LYS 90 - QG2 THR 84 far 0 63 0 - 8.7-13.2 Violated in 13 structures by 0.63 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 98 99 100 99 4.6-4.9 7361/7365=67...(8) QG1 VAL 83 + QG2 THR 84 OK 46 61 80 94 4.7-5.5 4.0/7365=64, 2.1/9839=48...(7) HB2 ARG 81 - QG2 THR 84 far 0 57 0 - 7.8-9.2 QG2 THR 80 - QG2 THR 84 far 0 99 0 - 8.6-10.6 Violated in 5 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (8.07, 2.10, 31.71 ppm; 5.02 A): 5 out of 8 assignments used, quality = 0.99: H LYS 90 + HB3 PRO 86 OK 87 92 95 100 4.6-6.6 9944=86, 9950/2.3=69...(15) H ILE 15 + HB2 PRO 86 OK 59 90 80 82 5.3-7.4 3.6/9886=32...(8) H LYS 90 + HB2 PRO 86 OK 52 80 65 100 4.8-6.5 9944/1.8=82, 9950/2.3=69...(13) H GLU 17 + HB3 PRO 86 OK 47 100 95 50 4.5-6.6 6258/12333=27...(6) H GLU 17 + HB2 PRO 86 OK 43 92 95 49 4.2-6.5 6258/12333=30...(4) H ILE 15 - HB3 PRO 86 far 5 99 5 - 5.5-7.4 H LYS 13 - HB2 PRO 86 far 0 90 0 - 6.2-9.0 H LYS 13 - HB3 PRO 86 far 0 99 0 - 6.7-8.6 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 1 assignment used, quality = 1.00: H ASP 87 + HA SER 85 OK 100 100 100 100 4.1-4.5 9898=98, 9849/3.0=83...(13) Violated in 0 structures by 0.00 A. Peak 10955 from cnoeabs.peaks (0.69, 3.90, 64.38 ppm; 4.52 A): 3 out of 12 assignments used, quality = 0.99: QD1 LEU 14 + HB2 SER 85 OK 95 96 100 99 4.5-5.4 8424/3.0=64...(15) QD2 LEU 14 + HB3 SER 9 OK 65 65 100 100 2.2-3.7 10408=61, 8414/1.8=58...(25) QD1 LEU 14 + HB3 SER 9 OK 64 65 100 100 3.2-4.8 8403/2.8=58...(15) QG1 VAL 58 - HB3 SER 9 far 0 52 0 - 5.6-7.6 QD1 ILE 8 - HB3 SER 9 far 0 65 0 - 6.1-7.7 QG2 VAL 58 - HB3 SER 9 far 0 63 0 - 6.3-8.5 QD2 LEU 14 - HB2 SER 85 far 0 96 0 - 6.4-7.4 QD1 LEU 29 - HB3 SER 9 far 0 34 0 - 7.9-8.7 QG1 VAL 5 - HB3 SER 9 far 0 44 0 - 8.3-9.5 QD2 LEU 6 - HB3 SER 9 far 0 71 0 - 8.9-10.3 QD1 ILE 56 - HB3 SER 9 far 0 66 0 - 9.6-11.9 QG2 VAL 58 - HB2 SER 85 far 0 94 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10956 from cnoeabs.peaks (1.70, 5.14, 55.20 ppm; 5.05 A): 1 out of 5 assignments used, quality = 1.00: HG2 PRO 86 + HA SER 85 OK 100 100 100 100 4.5-4.7 1.8/9891=74, 9875/3.0=63...(13) HD3 LYS 90 - HA SER 85 far 0 100 0 - 7.6-10.2 HD2 LYS 13 - HA SER 85 far 0 100 0 - 8.4-11.9 HB3 ARG 91 - HA SER 85 far 0 96 0 - 9.3-11.9 HD3 LYS 13 - HA SER 85 far 0 100 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 10957 from cnoeabs.peaks (1.48, 2.12, 31.71 ppm; 5.26 A): 0 out of 10 assignments used, quality = 0.00: HG3 LYS 13 - HB2 PRO 86 far 0 96 0 - 6.5-9.4 HG3 LYS 13 - HB3 PRO 86 far 0 85 0 - 7.2-8.8 HG3 ARG 91 - HB3 PRO 86 far 0 65 0 - 7.8-12.8 HG2 LYS 20 - HB3 PRO 86 far 0 73 0 - 8.0-11.6 HB2 ARG 91 - HB3 PRO 86 far 0 91 0 - 8.1-11.0 HG2 LYS 20 - HB2 PRO 86 far 0 85 0 - 8.6-12.3 HG LEU 57 - HB2 PRO 86 far 0 93 0 - 8.6-10.0 HG LEU 57 - HB3 PRO 86 far 0 81 0 - 8.9-10.1 HB2 ARG 91 - HB2 PRO 86 far 0 100 0 - 9.1-11.9 HG3 ARG 91 - HB2 PRO 86 far 0 77 0 - 9.2-12.7 Violated in 20 structures by 0.76 A. Peak 10958 from cnoeabs.peaks (1.55, 2.12, 31.71 ppm; 5.52 A): 4 out of 8 assignments used, quality = 0.98: HB2 LEU 14 + HB2 PRO 86 OK 79 79 100 100 2.6-5.3 ~8411=66, ~8407=65...(45) HB2 LEU 14 + HB3 PRO 86 OK 67 67 100 100 3.0-6.3 ~8411=66, ~8407=65...(42) HG3 LYS 90 + HB3 PRO 86 OK 54 60 95 95 3.9-6.5 1.8/11077=52...(9) HG3 LYS 90 + HB2 PRO 86 OK 38 71 60 89 4.0-7.6 ~11077=60, 9910/4.9=29...(10) HB ILE 7 - HB2 PRO 86 far 0 79 0 - 9.0-10.6 HB ILE 7 - HB3 PRO 86 far 0 67 0 - 9.5-10.7 HG2 ARG 19 - HB2 PRO 86 far 0 70 0 - 9.7-12.3 HG2 ARG 19 - HB3 PRO 86 far 0 58 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 10959 from cnoeabs.peaks (1.50, 1.70, 27.00 ppm; 3.44 A): 0 out of 9 assignments used, quality = 0.00: HG2 LYS 66 - HG LEU 70 far 10 100 10 - 3.8-6.9 HB2 LEU 14 - HG2 PRO 86 far 6 56 10 - 4.3-6.4 HG3 LYS 66 - HG LEU 70 far 5 100 5 - 4.2-6.8 HG LEU 38 - HG LEU 70 far 3 63 5 - 3.7-8.0 HG2 LYS 73 - HG LEU 70 far 0 100 0 - 4.8-7.1 HG3 LYS 13 - HG2 PRO 86 far 0 75 0 - 6.9-8.7 HB2 ARG 91 - HG2 PRO 86 far 0 72 0 - 8.6-12.7 HG12 ILE 56 - HG LEU 70 far 0 68 0 - 9.0-10.7 HG LEU 64 - HG LEU 70 far 0 96 0 - 9.6-11.0 Violated in 19 structures by 0.58 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 3.4-3.9 9951=99, 10963/2.9=49...(19) H GLU 17 - HA ASP 87 far 0 96 0 - 7.1-9.5 H ILE 15 - HA ASP 87 far 0 84 0 - 9.5-10.9 H GLU 16 - HA ASP 87 far 0 73 0 - 9.6-11.7 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 5 assignments used, quality = 0.98: HB THR 34 + HB2 ASP 36 OK 92 96 100 96 3.8-5.3 8794/3.6=73, 8822/4.0=50...(7) HB THR 34 + HB3 ASP 36 OK 73 95 80 96 3.8-6.0 8794/3.6=73, 8822/4.0=50...(7) HA THR 84 - HB2 ASP 87 far 0 93 0 - 8.7-10.7 HA THR 84 - HB3 ASP 87 far 0 93 0 - 9.2-10.9 HA THR 84 - HB2 ASP 61 far 0 62 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (1.98, 2.50, 40.10 ppm; 4.47 A): 6 out of 13 assignments used, quality = 0.87: HB2 GLU 37 + HB3 ASP 36 OK 40 95 45 93 4.9-6.7 6572/4.0=65, 3.0/8789=33...(8) HG3 GLU 88 + HB2 ASP 87 OK 33 59 80 69 3.6-6.8 3.0/8790=30, 4.9/7390=28...(5) HB2 GLU 37 + HB2 ASP 36 OK 31 95 35 92 5.0-6.9 6572/4.0=65, 3.0/8833=28...(8) HG3 GLU 88 + HB3 ASP 87 OK 27 59 75 62 3.7-7.3 4.9/7390=25, ~8790=23...(5) HB2 GLU 35 + HB2 ASP 36 OK 21 78 30 90 4.8-6.3 6558/3.6=61...(8) HB2 GLU 35 + HB3 ASP 36 OK 21 77 30 89 5.1-7.2 6558/3.6=61...(7) HB2 GLU 62 - HB2 ASP 61 poor 17 45 45 84 4.1-6.8 7006/4.4=45, ~10743=32...(8) HB3 GLU 17 - HB3 ASP 87 far 0 87 0 - 7.1-8.8 HB3 GLU 17 - HB2 ASP 87 far 0 87 0 - 7.3-9.7 QE MET 74 - HB3 ASP 36 far 0 85 0 - 7.8-9.5 QE MET 74 - HB2 ASP 36 far 0 86 0 - 7.9-9.6 HB3 LYS 94 - HB3 ASP 87 far 0 57 0 - 9.1-11.5 HB3 LYS 94 - HB2 ASP 87 far 0 57 0 - 9.5-12.5 Violated in 1 structures by 0.00 A. Peak 10967 from cnoeabs.peaks (2.11, 4.22, 57.31 ppm; 4.13 A): 1 out of 6 assignments used, quality = 0.90: HB3 PRO 86 + HA ASP 87 OK 90 100 90 100 4.0-5.6 4.9=58, 9944/10962=44...(23) HB2 PRO 86 - HA ASP 87 far 10 99 10 - 4.0-5.6 HG2 GLU 88 - HA ASP 87 far 0 71 0 - 5.2-7.3 HB3 GLU 88 - HA ASP 87 far 0 75 0 - 5.6-6.6 QE MET 21 - HA ASP 87 far 0 99 0 - 7.0-8.8 HB VAL 83 - HA ASP 87 far 0 100 0 - 7.3-7.8 Violated in 3 structures by 0.14 A. Peak 10968 from cnoeabs.peaks (2.48, 3.66, 58.73 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: HD2 ARG 91 + HA GLU 88 OK 100 100 100 100 2.5-5.6 9961=78, 3.5/4024=71...(20) HB3 ASP 87 + HA GLU 88 OK 96 96 100 100 4.0-5.6 3.0/9904=66, 6381/3.0=43...(21) HB2 ASP 87 + HA GLU 88 OK 96 96 100 100 4.2-5.6 3.0/9904=66, 6381/3.0=49...(21) HB2 ASP 87 - HA LEU 14 far 0 50 0 - 7.9-9.7 HB3 ASP 87 - HA LEU 14 far 0 50 0 - 8.2-9.7 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 7 assignments used, quality = 0.98: HA ALA 89 + HA GLU 88 OK 97 98 100 100 4.7-4.9 10306/3.0=51, ~7397=39...(16) HA ARG 91 + HA GLU 88 OK 25 100 25 100 5.0-5.8 3.0/4024=68, 3.0/3869=67...(19) HB2 SER 85 + HA GLU 88 OK 23 96 25 97 5.0-5.9 8599/3.0=68...(10) HB3 SER 9 - HA LEU 14 far 0 27 0 - 5.9-7.3 HA LYS 12 - HA LEU 14 far 0 33 0 - 6.3-6.5 HA ALA 89 - HA LEU 14 far 0 51 0 - 7.2-8.4 HB2 SER 85 - HA LEU 14 far 0 50 0 - 7.5-9.3 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 1 assignment used, quality = 0.95: HA PRO 86 + QB ALA 89 OK 95 99 100 96 2.4-3.1 9880=50, 9923/7407=45...(15) 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 4.7-4.9 3.0/10306=65, 10970=64...(16) 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 0 85 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (1.82, 3.90, 55.61 ppm; 4.92 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 88 + HA ALA 89 OK 99 99 100 100 3.9-4.6 7402/3.0=87...(16) HB3 LEU 57 + HA ALA 89 OK 99 100 100 99 4.4-5.7 3.1/10698=63...(15) HB ILE 93 + HA ALA 89 OK 38 97 40 97 5.2-7.1 ~9932=59, ~10321=54...(9) HB2 LYS 90 - HA ALA 89 far 5 100 5 - 5.7-6.6 HB3 LYS 90 - HA ALA 89 far 0 95 0 - 5.9-6.6 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 6 assignments used, quality = 1.00: HB VAL 83 + HA ALA 89 OK 100 100 100 100 4.0-4.9 2.1/9824=96, 2.1/9825=90...(18) HB3 GLU 88 + HA ALA 89 OK 79 79 100 100 4.0-5.4 ~7402=57, 10306=53...(15) HG2 GLU 88 - HA ALA 89 far 0 68 0 - 6.0-6.6 QE MET 21 - HA ALA 89 far 0 99 0 - 6.9-8.6 HB3 PRO 86 - HA ALA 89 far 0 100 0 - 7.0-8.0 HB2 PRO 86 - HA ALA 89 far 0 98 0 - 7.2-8.1 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 3.9-4.2 7453/3.0=96, 7448/3.6=92...(12) H ASP 87 - HA LYS 90 far 0 100 0 - 7.3-8.0 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 3 assignments used, quality = 0.99: H LYS 94 + HA LYS 90 OK 99 99 100 100 3.1-5.2 7501=98, 7507/4129=74...(15) H GLU 23 - HA LYS 90 far 0 90 0 - 7.6-8.7 H SER 97 - HA LYS 90 far 0 61 0 - 8.1-9.7 Violated in 2 structures by 0.01 A. Peak 10992 from cnoeabs.peaks (4.04, 1.08, 26.80 ppm; 5.89 A): 4 out of 6 assignments used, quality = 0.93: HA GLU 75 + HG12 ILE 76 OK 59 59 100 100 4.3-6.0 3.5/7256=94, ~9888=67...(11) HA ARG 46 + HG12 ILE 76 OK 57 57 100 100 3.4-5.7 ~9630=70, 4.1/10176=69...(19) HB2 SER 49 + HG12 ILE 76 OK 42 84 50 100 4.1-9.6 9065/3.2=79, 9064/1.8=78...(11) HA GLU 95 + HG2 ARG 91 OK 33 97 45 76 6.0-9.6 4.1/10040=55...(6) HA LEU 70 - HG12 ILE 76 far 0 88 0 - 7.1-9.8 HA GLU 17 - HG2 ARG 91 far 0 96 0 - 8.7-14.7 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: QG1 VAL 5 + HB3 TRP 92 OK 93 100 100 93 4.1-6.3 8195/9992=76...(8) HG13 ILE 93 + HB3 TRP 92 OK 92 98 100 95 3.4-5.6 10019/9992=61...(10) QG2 ILE 93 + HB3 TRP 92 OK 87 92 100 95 5.4-6.1 10014/9992=50, ~4127=30...(11) HG3 ARG 81 + HB3 TRP 92 OK 84 99 90 94 3.4-6.9 1.8/12215=63...(7) QD1 ILE 93 + HB3 TRP 92 OK 51 59 100 86 3.3-5.6 4162/4.5=35...(8) QD1 LEU 27 - HB3 TRP 92 far 0 61 0 - 6.8-8.2 QD1 LEU 64 - HB2 HIS 106 far 0 81 0 - 7.3-18.9 QD2 LEU 14 - HB3 TRP 92 far 0 90 0 - 7.3-9.1 HG3 ARG 81 - HB2 HIS 106 far 0 82 0 - 7.9-19.6 QG1 VAL 54 - HB3 TRP 92 far 0 75 0 - 8.3-9.7 QG1 VAL 58 - HB3 TRP 92 far 0 99 0 - 8.3-9.7 QD1 ILE 56 - HB3 TRP 92 far 0 88 0 - 8.6-10.2 QD1 LEU 64 - HB3 TRP 92 far 0 99 0 - 8.6-10.0 QG2 VAL 78 - HB3 TRP 92 far 0 99 0 - 8.6-11.8 QG1 VAL 78 - HB3 TRP 92 far 0 96 0 - 8.9-12.2 QD2 LEU 27 - HB3 TRP 92 far 0 100 0 - 9.2-10.1 HG13 ILE 56 - HB3 TRP 92 far 0 96 0 - 9.2-11.1 QD1 ILE 8 - HB3 TRP 92 far 0 91 0 - 9.5-11.6 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 4 assignments used, quality = 1.00: HB3 MET 21 + QD1 ILE 93 OK 99 99 100 100 2.6-4.2 3.0/10024=73...(31) HG3 MET 21 + QD1 ILE 93 OK 94 99 95 100 2.0-6.2 1.8/10024=87...(30) HG3 GLU 17 - QD1 ILE 93 far 0 91 0 - 6.7-8.7 HG3 GLU 99 - QD1 ILE 93 far 0 77 0 - 9.3-12.6 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 5 assignments used, quality = 0.99: HB2 PHE 96 + QD1 ILE 93 OK 92 94 100 98 4.4-6.0 4325/4163=73, ~10031=49...(13) HB2 TRP 92 + QD1 ILE 93 OK 91 92 100 99 3.4-4.5 4.5/4162=74...(14) HD3 ARG 79 - QD1 ILE 93 far 0 100 0 - 8.3-12.4 HD3 ARG 30 - QD1 ILE 93 far 0 100 0 - 9.1-11.0 HD2 ARG 79 - QD1 ILE 93 far 0 99 0 - 9.1-12.0 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 = 0.99: HA ALA 22 + HA ILE 93 OK 92 99 95 98 5.2-6.6 10028/3.2=57...(11) HA LYS 94 + HA ILE 93 OK 79 79 100 100 4.8-4.9 3.6/7527=63, ~7507=58...(20) HA SER 97 + HA ILE 93 OK 45 92 50 97 5.9-7.0 3.0/7565=85...(7) HA ARG 19 - HA ILE 93 far 0 82 0 - 7.7-10.1 HB3 SER 102 - HA ILE 93 far 0 84 0 - 7.9-16.1 HA2 GLY 100 - HA ILE 93 far 0 79 0 - 8.5-12.0 HA2 GLY 101 - HA ILE 93 far 0 79 0 - 8.6-14.2 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 11 assignments used, quality = 0.24: HB ILE 7 + HG12 ILE 93 OK 24 87 55 50 5.6-7.1 10196/10198=32...(5) HG3 LYS 90 - HG12 ILE 93 far 0 61 0 - 7.0-9.5 HB2 LEU 3 - HG12 ILE 93 far 0 100 0 - 7.2-10.1 HG2 ARG 19 - HG12 ILE 93 far 0 59 0 - 7.3-10.3 HG3 LYS 24 - HG12 ILE 93 far 0 61 0 - 7.4-13.2 HG2 ARG 79 - HG12 ILE 93 far 0 98 0 - 8.2-13.4 HG3 ARG 79 - HG12 ILE 93 far 0 99 0 - 8.4-14.7 HG LEU 6 - HG12 ILE 93 far 0 91 0 - 8.5-10.8 HB3 GLU 28 - HG12 ILE 93 far 0 95 0 - 8.8-11.2 HG12 ILE 56 - HG12 ILE 93 far 0 96 0 - 9.0-12.2 HG3 ARG 30 - HG12 ILE 93 far 0 96 0 - 9.9-12.6 Violated in 20 structures by 0.81 A. Peak 11000 from cnoeabs.peaks (1.57, 0.75, 17.00 ppm; 4.99 A): 2 out of 13 assignments used, quality = 0.95: HG LEU 27 + QG2 ILE 93 OK 83 84 100 98 3.7-5.0 3.0/10326=41...(18) HB3 LEU 29 + QG2 ILE 93 OK 71 87 95 86 4.6-5.9 8571/11002=31, 10497=28...(11) HB2 LEU 3 - QG2 ILE 93 poor 14 93 40 37 5.0-7.1 8065/10031=23...(3) HD3 LYS 94 - QG2 ILE 93 far 0 84 0 - 5.9-6.9 HG2 LYS 24 - QG2 ILE 93 far 0 97 0 - 6.1-8.1 HG3 LYS 90 - QG2 ILE 93 far 0 98 0 - 6.2-8.2 HG2 ARG 19 - QG2 ILE 93 far 0 98 0 - 6.9-9.0 HB3 GLU 28 - QG2 ILE 93 far 0 99 0 - 7.3-8.3 HG3 ARG 79 - QG2 ILE 93 far 0 63 0 - 8.0-11.5 HB2 ARG 79 - QG2 ILE 93 far 0 81 0 - 8.3-10.8 HG2 ARG 79 - QG2 ILE 93 far 0 61 0 - 8.4-10.4 HD3 LYS 53 - QG2 ILE 93 far 0 92 0 - 8.9-10.4 HB2 ARG 30 - QG2 ILE 93 far 0 75 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 11001 from cnoeabs.peaks (7.70, 0.77, 14.14 ppm; 5.75 A): 1 out of 3 assignments used, quality = 0.98: H MET 21 + QD1 ILE 93 OK 98 98 100 100 3.8-5.7 769/8480=85...(18) H ALA 25 - QD1 ILE 93 far 10 98 10 - 6.5-7.4 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 2.2-3.5 6351/10319=68...(23) H ILE 8 - QG2 ILE 93 far 0 91 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 11003 from cnoeabs.peaks (8.65, 0.77, 14.14 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: H ALA 18 + QD1 ILE 93 OK 100 100 100 100 4.1-5.2 2.9/10020=100...(16) H LEU 55 - QD1 ILE 93 far 14 94 15 - 5.8-7.8 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 3.0-4.4 6353/10327=72...(26) H ILE 8 - QD1 ILE 93 far 0 99 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 11005 from cnoeabs.peaks (8.91, 0.77, 14.14 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.98: H ARG 19 + QD1 ILE 93 OK 98 99 100 100 3.9-5.4 6283/10020=96...(10) H VAL 5 - QD1 ILE 93 poor 10 100 25 41 5.7-7.7 8186/10327=30...(4) H LEU 57 - QD1 ILE 93 lone 5 94 45 13 5.4-6.8 4.9/2630=10, 10377/276=2 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 4.4-4.5 369/2.9=100, 8390/3.6=73...(13) HA ILE 8 - HA LYS 12 far 0 63 0 - 8.6-9.4 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 28 assignments used, quality = 0.94: QD2 LEU 70 + HD3 LYS 39 OK 70 84 90 92 2.2-6.2 10822/4.9=31...(18) QD2 LEU 70 + HD2 LYS 39 OK 45 54 90 92 1.9-6.2 10822/4.9=31...(20) QD1 LEU 70 + HD2 LYS 39 OK 41 57 80 91 3.0-5.3 10569/3.0=24, 12071=21...(19) QD1 LEU 70 + HD3 LYS 39 OK 40 88 50 90 3.3-5.7 10569/3.0=24...(19) QD1 ILE 76 - HD3 LYS 39 far 0 78 0 - 5.2-8.3 QD1 ILE 76 - HD2 LYS 39 far 0 48 0 - 5.6-8.6 QD2 LEU 38 - HD3 LYS 39 far 0 88 0 - 5.7-9.1 QD2 LEU 38 - HD2 LYS 39 far 0 57 0 - 5.9-8.6 QD2 LEU 70 - HD2 LYS 68 far 0 52 0 - 7.4-10.0 QD1 LEU 70 - HD3 LYS 68 far 0 58 0 - 7.5-10.2 QD1 LEU 70 - HD2 LYS 68 far 0 56 0 - 7.8-9.9 QD2 LEU 38 - HD3 LYS 68 far 0 58 0 - 7.8-10.5 QD2 LEU 70 - HD3 LYS 68 far 0 55 0 - 7.9-10.3 QD2 LEU 103 - HD2 LYS 68 far 0 55 0 - 8.0-17.9 QD2 LEU 103 - HD3 LYS 68 far 0 57 0 - 8.1-18.1 QG2 VAL 32 - HD3 LYS 39 far 0 84 0 - 8.3-9.8 QD2 LEU 38 - HD2 LYS 68 far 0 56 0 - 8.4-10.5 QG2 VAL 32 - HD2 LYS 39 far 0 54 0 - 8.6-10.1 QD2 LEU 57 - HD3 LYS 68 far 0 45 0 - 8.6-12.3 QD1 LEU 57 - HD3 LYS 68 far 0 57 0 - 8.7-11.0 QD1 LEU 57 - HD3 LYS 94 far 0 66 0 - 9.0-10.4 QD1 ILE 76 - HD2 LYS 68 far 0 47 0 - 9.2-13.9 QG2 ILE 8 - HD3 LYS 68 far 0 35 0 - 9.4-11.8 QD1 ILE 76 - HD3 LYS 68 far 0 50 0 - 9.5-13.5 QD2 LEU 57 - HD3 LYS 94 far 0 53 0 - 9.5-10.8 QD1 LEU 57 - HD2 LYS 94 far 0 99 0 - 9.6-11.5 QD2 LEU 57 - HD2 LYS 68 far 0 43 0 - 9.9-13.0 QD2 LEU 57 - HD2 LYS 94 far 0 87 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 11010 from cnoeabs.peaks (0.75, 1.62, 29.36 ppm; 3.99 A): 2 out of 38 assignments used, quality = 0.79: QD1 LEU 64 + HD3 LYS 68 OK 55 55 100 99 1.9-4.0 2.1/10242=45, ~12320=31...(36) QD1 LEU 64 + HD2 LYS 68 OK 52 53 100 99 3.2-4.5 2.1/10242=32, ~12320=31...(39) QG2 VAL 78 - HD3 LYS 68 far 2 37 5 - 4.2-9.9 QG2 VAL 78 - HD2 LYS 68 far 0 35 0 - 5.0-10.8 QG1 VAL 78 - HD3 LYS 68 far 0 57 0 - 5.5-9.6 QG1 VAL 78 - HD2 LYS 68 far 0 55 0 - 5.7-10.0 QG1 VAL 58 - HD3 LYS 68 far 0 36 0 - 5.8-8.6 QG2 ILE 93 - HD3 LYS 94 far 0 68 0 - 5.9-6.9 QG2 ILE 93 - HD2 LYS 94 far 0 100 0 - 6.1-7.7 QD1 ILE 93 - HD3 LYS 94 far 0 60 0 - 6.4-7.4 QD1 ILE 93 - HD2 LYS 94 far 0 95 0 - 6.6-8.7 QD2 LEU 42 - HD2 LYS 39 far 0 52 0 - 6.6-8.0 QD2 LEU 42 - HD3 LYS 39 far 0 83 0 - 6.7-7.9 HG13 ILE 93 - HD3 LYS 94 far 0 66 0 - 6.8-9.5 QG1 VAL 58 - HD2 LYS 68 far 0 34 0 - 7.0-8.7 QD1 LEU 27 - HD3 LYS 94 far 0 61 0 - 7.4-9.0 HG13 ILE 56 - HD3 LYS 68 far 0 29 0 - 7.5-12.4 QD2 LEU 42 - HD3 LYS 68 far 0 54 0 - 7.7-10.6 QD2 LEU 42 - HD2 LYS 68 far 0 51 0 - 7.8-11.1 HG13 ILE 93 - HD2 LYS 94 far 0 99 0 - 8.1-10.4 QD1 LEU 27 - HD2 LYS 94 far 0 96 0 - 8.1-9.3 QG1 VAL 78 - HD2 LYS 39 far 0 56 0 - 8.2-11.0 QD1 LEU 6 - HD3 LYS 39 far 0 79 0 - 8.3-9.8 HG13 ILE 56 - HD2 LYS 68 far 0 28 0 - 8.4-13.1 QG1 VAL 54 - HD3 LYS 68 far 0 56 0 - 8.4-12.1 QG1 VAL 78 - HD3 LYS 39 far 0 87 0 - 8.4-11.1 QD1 LEU 6 - HD2 LYS 39 far 0 49 0 - 8.4-9.7 QG2 VAL 78 - HD2 LYS 39 far 0 36 0 - 8.6-10.7 HG3 ARG 81 - HD3 LYS 68 far 0 54 0 - 8.7-11.4 QG1 VAL 54 - HD2 LYS 68 far 0 54 0 - 9.2-12.9 QG2 VAL 78 - HD3 LYS 39 far 0 61 0 - 9.2-11.5 QG2 ILE 8 - HD3 LYS 68 far 0 34 0 - 9.4-11.8 QD2 LEU 27 - HD3 LYS 94 far 0 54 0 - 9.4-11.4 QG1 VAL 5 - HD3 LYS 94 far 0 50 0 - 9.4-10.9 QD1 LEU 6 - HD3 LYS 68 far 0 50 0 - 9.5-12.4 QG1 VAL 5 - HD2 LYS 94 far 0 84 0 - 9.5-11.6 QD1 LEU 6 - HD2 LYS 68 far 0 48 0 - 9.9-12.9 HG3 ARG 81 - HD2 LYS 68 far 0 52 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 11012 from cnoeabs.peaks (1.33, 4.02, 59.37 ppm; 4.65 A): 1 out of 11 assignments used, quality = 0.99: HG2 LYS 94 + HA GLU 95 OK 99 99 100 100 3.5-4.6 7532/3.0=70...(16) HG3 LYS 68 - HA GLU 69 poor 19 29 65 - 3.1-6.4 QB ALA 25 - HA GLU 95 far 0 99 0 - 5.8-6.8 QB ALA 67 - HA GLU 69 far 0 35 0 - 6.6-6.9 QB ALA 89 - HA GLU 16 far 0 46 0 - 7.1-7.9 QB ALA 25 - HA LYS 20 far 0 56 0 - 7.2-7.8 HG LEU 14 - HA GLU 16 far 0 39 0 - 7.3-8.7 QB ALA 89 - HA LYS 20 far 0 56 0 - 8.3-10.0 HG2 LYS 39 - HA GLU 69 far 0 32 0 - 8.9-11.4 HB3 LEU 27 - HA LYS 20 far 0 53 0 - 9.8-11.0 HB3 LEU 42 - HA GLU 69 far 0 25 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 11013 from cnoeabs.peaks (0.68, 2.27, 36.23 ppm; 4.61 A): 3 out of 25 assignments used, quality = 0.78: QG2 VAL 58 + HG2 GLU 63 OK 55 55 100 100 3.8-5.2 2.1/10716=75...(22) QD1 ILE 8 + HG2 GLU 63 OK 31 41 80 95 3.7-6.5 8308/3.0=44, ~10746=34...(10) QG1 VAL 58 + HG2 GLU 63 OK 29 29 100 100 3.1-4.8 10716=53, 2.1/10718=49...(23) QD1 LEU 29 - HG2 GLU 23 far 12 77 15 - 5.2-6.5 QD1 LEU 14 - HG2 GLU 17 far 8 53 15 - 5.2-6.9 QD2 LEU 14 - HG2 GLU 17 far 0 40 0 - 5.6-7.4 QG1 VAL 58 - HG2 GLU 62 far 0 28 0 - 6.2-8.8 QG1 VAL 58 - HG3 GLU 62 far 0 28 0 - 6.3-8.9 QD2 LEU 14 - HG3 GLU 16 far 0 37 0 - 6.4-8.1 QG2 VAL 58 - HG3 GLU 62 far 0 54 0 - 6.6-8.5 QG2 VAL 58 - HG2 GLU 62 far 0 54 0 - 6.6-8.1 QD1 ILE 8 - HG3 GLU 62 far 0 40 0 - 6.7-10.6 QD1 ILE 8 - HG2 GLU 62 far 0 40 0 - 6.8-9.7 QD1 LEU 14 - HG3 GLU 16 far 0 49 0 - 6.8-9.0 QD2 LEU 14 - HG2 GLU 63 far 0 42 0 - 7.3-10.2 QD1 LEU 29 - HG3 GLU 16 far 0 32 0 - 7.6-8.9 QD1 LEU 29 - HG2 GLU 17 far 0 35 0 - 7.7-8.7 QD1 ILE 56 - HG2 GLU 63 far 0 43 0 - 8.3-10.4 QD1 LEU 14 - HG2 GLU 63 far 0 56 0 - 8.3-10.9 QD1 LEU 29 - HG2 GLU 95 far 0 61 0 - 9.3-12.4 QD2 LEU 6 - HG2 GLU 23 far 0 100 0 - 9.6-12.0 QD1 ILE 56 - HG3 GLU 62 far 0 42 0 - 9.7-13.3 HG13 ILE 56 - HG2 GLU 63 far 0 36 0 - 9.9-12.4 QD2 LEU 6 - HG2 GLU 63 far 0 56 0 - 9.9-12.6 QD1 ILE 56 - HG2 GLU 62 far 0 42 0 - 10.0-12.0 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 13 assignments used, quality = 0.68: HA LYS 94 + HA GLU 95 OK 68 100 70 97 4.7-4.7 3.7/11012=37...(15) HA LYS 12 - HA GLU 16 far 0 45 0 - 5.6-6.3 HA ARG 91 - HA GLU 95 far 0 90 0 - 6.0-7.4 HA ALA 71 - HA GLU 69 far 0 29 0 - 6.5-7.0 HA ALA 67 - HA GLU 69 far 0 33 0 - 6.6-7.1 HA ALA 22 - HA LYS 20 far 0 28 0 - 6.6-7.0 HB2 SER 102 - HA GLU 95 far 0 81 0 - 7.4-14.8 HA2 GLY 100 - HA GLU 95 far 0 100 0 - 7.6-9.5 HA2 GLY 101 - HA GLU 95 far 0 100 0 - 8.9-12.3 HA ALA 22 - HA GLU 95 far 0 59 0 - 9.0-10.5 HA LYS 94 - HA LYS 20 far 0 59 0 - 9.7-10.9 HA3 GLY 101 - HA GLU 95 far 0 82 0 - 9.8-12.3 HA GLU 35 - HA GLU 69 far 0 29 0 - 9.8-12.3 Violated in 20 structures by 0.90 A. Peak 11015 from cnoeabs.peaks (7.42, 2.52, 36.47 ppm; 5.96 A): 1 out of 2 assignments used, quality = 0.73: HE3 TRP 92 + HG3 GLU 95 OK 73 99 75 99 2.9-10.5 12282/2.9=80...(5) H ALA 89 - HG3 GLU 95 far 0 100 0 - 9.9-11.9 Violated in 14 structures by 0.73 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 4.4-4.5 2.2/4318=90, 5.6=45...(8) Violated in 20 structures by 0.11 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 4.6-4.9 7601/3.6=68...(12) HB3 SER 102 - HA GLU 98 far 5 100 5 - 5.8-13.6 HA ALA 22 - HA GLU 98 far 0 98 0 - 9.8-11.3 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 = 0.78: HB3 SER 97 + HA GLU 98 OK 70 97 85 85 3.8-5.5 3.0/11022=46...(7) HA GLU 95 + HA GLU 98 OK 26 85 40 75 4.7-5.6 7583/2.9=38, 4368/3.0=28...(4) Violated in 8 structures by 0.03 A. Peak 11024 from cnoeabs.peaks (2.96, 2.24, 36.00 ppm; 4.88 A): 1 out of 13 assignments used, quality = 0.46: HE3 LYS 90 + HG2 GLU 17 OK 46 85 70 77 3.2-8.4 9045/1.8=28, ~12236=22...(12) HE2 LYS 13 - HG2 GLU 17 far 15 100 15 - 4.0-10.0 HE2 LYS 24 - HG2 GLU 23 far 5 54 10 - 4.1-10.5 HE3 LYS 13 - HG2 GLU 17 far 5 100 5 - 5.5-10.2 HE3 LYS 24 - HG2 GLU 23 far 3 54 5 - 4.7-11.0 HG2 MET 21 - HG2 GLU 17 far 0 91 0 - 6.8-10.7 HB3 ASP 11 - HG2 GLU 17 far 0 71 0 - 7.1-8.3 HG2 MET 21 - HG2 GLU 23 far 0 44 0 - 7.6-10.1 HE2 LYS 24 - HG2 GLU 98 far 0 60 0 - 8.6-15.4 HE3 LYS 12 - HG2 GLU 17 far 0 100 0 - 9.0-13.8 HB2 SER 9 - HG2 GLU 17 far 0 77 0 - 9.2-10.6 HE3 LYS 90 - HG2 GLU 23 far 0 40 0 - 9.7-14.9 HE3 LYS 24 - HG2 GLU 17 far 0 100 0 - 9.8-16.5 Violated in 12 structures by 0.92 A. Peak 11025 from cnoeabs.peaks (4.51, 2.22, 36.00 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.94: HA PHE 96 + HG2 GLU 99 OK 94 100 100 95 2.1-5.9 7599/7611=61...(6) HA PHE 96 - HG2 GLU 98 far 5 99 5 - 6.0-8.5 Violated in 9 structures by 0.15 A. Peak 11026 from cnoeabs.peaks (8.16, 4.19, 57.07 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.86: H GLY 100 + HA GLU 98 OK 86 90 100 96 3.7-5.4 7613/3.6=61, 7618=55...(9) Violated in 14 structures by 0.20 A. Peak 11027 from cnoeabs.peaks (8.55, 2.43, 36.00 ppm; 5.23 A): 1 out of 3 assignments used, quality = 0.41: H GLN 50 + HG3 GLU 48 OK 41 84 50 98 4.8-6.7 12314/4.1=71...(9) H ASN 51 - HG3 GLU 48 far 0 75 0 - 6.4-10.0 H LYS 12 - HG3 GLU 17 far 0 99 0 - 8.7-10.4 Violated in 13 structures by 0.75 A. Peak 11028 from cnoeabs.peaks (1.83, 3.87, 45.30 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.72: HB2 LYS 53 + HA2 GLY 100 OK 53 98 70 78 5.6-9.7 8115/10094=58...(5) HB2 LYS 53 + HA2 GLY 101 OK 40 78 85 60 3.3-10.6 8115/12053=23, ~10616=16...(9) HB2 LYS 53 - HA3 GLY 101 poor 18 44 75 55 3.9-10.1 8115/12053=19, ~10102=10...(9) HB2 GLU 104 - HA2 GLY 101 far 11 70 15 - 4.5-11.5 HB2 GLU 104 - HA3 GLY 101 far 6 39 15 - 3.1-11.5 HB2 GLU 104 - HA2 GLY 100 far 0 92 0 - 8.2-14.1 Violated in 2 structures by 0.04 A. Peak 11029 from cnoeabs.peaks (8.26, 3.89, 45.04 ppm; 5.74 A): 2 out of 3 assignments used, quality = 0.54: H LEU 103 + HA2 GLY 101 OK 35 50 95 73 3.4-6.8 7644/3.6=67, 4.7/10124=9 H LEU 103 + HA3 GLY 101 OK 29 87 45 75 3.5-7.1 7644/3.6=67...(5) H LEU 103 - HA2 GLY 100 far 2 36 5 - 6.0-10.5 Violated in 14 structures by 0.09 A. Peak 11033 from cnoeabs.peaks (1.46, 1.30, 27.70 ppm; 4.10 A): 1 out of 6 assignments used, quality = 0.54: HG3 LYS 53 + HG LEU 3 OK 54 98 55 100 2.9-7.3 3.0/8118=52, ~8114=41...(28) HD2 LYS 53 - HG LEU 3 poor 20 100 20 - 4.4-7.6 HG2 LYS 53 - HG LEU 3 far 10 100 10 - 4.4-6.4 HG13 ILE 52 - HG LEU 3 far 0 100 0 - 5.5-7.4 HB2 LEU 27 - HG LEU 3 far 0 100 0 - 6.4-8.3 QB ALA 22 - HG LEU 3 far 0 91 0 - 7.5-9.3 Violated in 17 structures by 1.37 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 96 100 100 96 4.5-5.7 5.0/8064=56, 3.0/9202=39...(11) HG13 ILE 52 + HA LEU 3 OK 78 99 100 78 3.4-5.1 3.8/8105=40...(8) HG3 LYS 53 + HA LEU 3 OK 59 100 60 99 3.9-6.7 11033/3.7=72...(12) HD2 LYS 53 + HA LEU 3 OK 34 100 35 98 4.8-7.1 9192/125=74, 5.9/8064=46...(8) HB2 LEU 27 - HA LEU 3 far 0 99 0 - 6.6-7.7 QB ALA 22 - HA LEU 3 far 0 77 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (4.41, 1.70, 28.93 ppm; 4.09 A): 1 out of 16 assignments used, quality = 0.59: HA MET 21 + HD3 LYS 24 OK 59 99 65 92 3.7-6.2 8565/3.0=38, 8564/1.8=30...(11) HA ALA 25 - HD3 LYS 24 far 5 99 5 - 5.0-7.9 HA MET 21 - HD2 LYS 24 far 5 99 5 - 4.5-6.0 HA ALA 25 - HD2 LYS 24 far 5 98 5 - 4.7-7.6 HA VAL 32 - HD3 LYS 33 far 0 54 0 - 5.4-6.4 HA GLU 48 - HD2 LYS 47 far 0 39 0 - 5.6-8.3 HA VAL 32 - HD2 LYS 33 far 0 54 0 - 5.7-6.0 HA MET 21 - HD3 LYS 20 far 0 46 0 - 5.9-7.9 HA GLU 48 - HD3 LYS 47 far 0 40 0 - 6.0-8.0 HA MET 21 - HD2 LYS 20 far 0 53 0 - 6.1-7.9 HA SER 9 - HD2 LYS 33 far 0 44 0 - 7.4-11.3 HA SER 9 - HD2 LYS 12 far 0 84 0 - 7.4-11.7 HA SER 9 - HD3 LYS 33 far 0 44 0 - 8.1-10.6 HA SER 9 - HD3 LYS 12 far 0 84 0 - 8.4-11.9 HA MET 21 - HB3 ARG 91 far 0 51 0 - 9.3-10.7 HA GLN 50 - HD2 LYS 47 far 0 45 0 - 10.0-14.2 Violated in 19 structures by 0.92 A. Peak 11065 from cnoeabs.peaks (8.50, 4.24, 69.49 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * H THR 31 + HB THR 31 OK 95 100 100 95 3.5-3.7 6500=62, 6501/2.1=61...(7) H VAL 32 + HB THR 31 OK 92 96 100 96 2.4-3.2 6506=66, 6505/3.0=52...(9) H ILE 7 - HB THR 31 far 0 61 0 - 4.9-5.7 Violated in 0 structures by 0.00 A. Peak 11067 from cnoeabs.peaks (1.38, 2.26, 36.95 ppm; 5.77 A): 1 out of 11 assignments used, quality = 0.40: HG3 LYS 40 + HG2 GLU 37 OK 40 91 45 98 5.5-9.3 ~8846=66, 8963/1602=62...(9) HG12 ILE 8 - HG2 GLU 37 far 9 95 10 - 6.1-8.9 HB3 ARG 30 - HG2 GLU 37 far 0 99 0 - 8.0-10.0 HG3 LYS 68 - HG2 GLU 62 far 0 47 0 - 8.7-12.6 HG3 LYS 68 - HG3 GLU 62 far 0 47 0 - 9.2-13.6 HB2 LYS 82 - HG3 GLU 62 far 0 39 0 - 9.5-11.3 HB2 LYS 82 - HG2 GLU 62 far 0 39 0 - 9.6-11.5 HB2 LEU 70 - HG3 GLU 62 far 0 69 0 - 9.7-13.8 HG2 LYS 39 - HG2 GLU 37 far 0 68 0 - 9.7-11.3 HG12 ILE 8 - HG3 GLU 62 far 0 64 0 - 9.8-14.5 HG12 ILE 8 - HG2 GLU 62 far 0 64 0 - 9.9-13.5 Violated in 19 structures by 1.43 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 6 assignments used, quality = 0.90: QG2 ILE 76 + QG2 VAL 54 OK 90 100 100 90 2.8-3.7 9233/2.1=36...(17) QD1 LEU 38 - QG2 VAL 54 far 0 91 0 - 5.0-8.4 QD1 LEU 2 - QG2 VAL 54 far 0 100 0 - 5.3-7.4 QD1 LEU 103 - QG2 VAL 54 far 0 95 0 - 7.8-15.1 QG1 VAL 32 - QG2 VAL 54 far 0 84 0 - 8.1-8.9 HG13 ILE 8 - QG2 VAL 54 far 0 100 0 - 9.4-11.1 Violated in 4 structures by 0.02 A. Peak 11071 from cnoeabs.peaks (5.23, 0.60, 16.63 ppm; 6.03 A): 1 out of 2 assignments used, quality = 0.87: HA VAL 58 + QG2 ILE 56 OK 87 87 100 100 4.1-5.3 3.0/9324=79...(16) HA VAL 78 - QG2 ILE 56 far 10 63 15 - 6.7-7.9 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 5 assignments used, quality = 0.83: HG2 GLU 43 + HD3 ARG 46 OK 83 97 95 90 4.8-7.3 3.7/10171=75...(7) HB3 GLU 75 - HD3 ARG 46 poor 13 96 30 45 4.8-7.7 10175/1.8=24...(3) HG3 GLU 75 - HD3 ARG 46 far 10 100 10 - 5.2-8.3 HB2 GLU 75 - HD3 ARG 46 far 3 59 5 - 5.4-9.4 HG2 GLU 75 - HD3 ARG 46 far 0 100 0 - 6.3-9.8 Violated in 2 structures by 0.13 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 0 84 0 - 9.5-13.1 HE ARG 91 - HA GLU 104 far 0 98 0 - 9.6-24.1 Violated in 20 structures by 5.99 A. Peak 11076 from cnoeabs.peaks (0.86, 4.13, 56.52 ppm; 5.79 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 103 + HA GLU 104 OK 99 100 100 99 2.7-6.6 ~7661=70, ~7659=59...(8) QD2 LEU 103 + HA GLU 104 OK 74 75 100 98 4.4-6.2 7661/3.0=70, ~7659=59...(6) QD2 LEU 64 - HA GLU 104 far 0 100 0 - 8.8-20.2 QD1 LEU 57 - HA GLU 104 far 0 77 0 - 8.9-18.5 Violated in 0 structures by 0.00 A. Peak 11077 from cnoeabs.peaks (2.09, 1.29, 25.29 ppm; 4.64 A): 2 out of 7 assignments used, quality = 0.85: HB3 PRO 86 + HG2 LYS 90 OK 80 96 90 92 3.9-6.1 9944/7419=64...(10) HB2 MET 21 + HG2 LYS 90 OK 23 59 40 98 3.9-7.0 4.0/8561=36...(26) QE MET 21 - HG2 LYS 90 poor 20 99 20 - 4.6-7.0 HB2 PRO 86 - HG2 LYS 90 far 12 77 15 - 4.6-6.6 HB3 GLU 88 - HG2 LYS 90 far 0 98 0 - 5.9-8.2 HB VAL 83 - HG2 LYS 90 far 0 88 0 - 6.9-8.8 HB2 GLU 16 - HG2 LYS 90 far 0 97 0 - 8.1-11.2 Violated in 9 structures by 0.09 A. Peak 11079 from cnoeabs.peaks (0.60, 1.35, 28.11 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 7 + HG LEU 14 OK 92 92 100 100 2.4-4.1 ~10273=65, ~12015=65...(20) QG2 ILE 56 - HG LEU 14 far 0 100 0 - 8.6-11.2 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 - 8.3-10.7 HB2 GLU 28 - HB2 GLU 48 far 0 58 0 - 9.8-13.1 Violated in 20 structures by 4.29 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 = 0.97: HA ARG 19 + HA LYS 20 OK 95 97 100 98 4.7-4.9 786/6344=41, ~6291=33...(17) HA ARG 19 + HA GLU 16 OK 39 62 65 97 4.9-5.6 3.0/6278=44, 3.0/798=40...(15) HA LYS 12 - HA GLU 16 far 0 36 0 - 5.6-6.3 HA SER 97 - HA GLU 95 far 0 65 0 - 6.2-6.4 HA ALA 22 - HA LYS 20 far 0 98 0 - 6.6-7.0 HB3 SER 102 - HA GLU 95 far 0 63 0 - 6.7-14.9 HA ALA 22 - HA GLU 95 far 0 64 0 - 9.0-10.5 Violated in 20 structures by 0.21 A. Peak 11090 from cnoeabs.peaks (0.73, 3.80, 63.76 ppm; 5.35 A): 0 out of 11 assignments used, quality = 0.00: HG3 ARG 81 - HB3 SER 102 far 4 79 5 - 3.9-15.5 QG1 VAL 78 - HB3 SER 102 far 0 74 0 - 6.5-16.1 QD1 ILE 56 - HB3 SER 102 far 0 74 0 - 7.8-18.2 QG1 VAL 54 - HB3 SER 102 far 0 50 0 - 7.9-16.2 QG1 VAL 5 - HB3 SER 102 far 0 85 0 - 8.0-15.6 QG2 VAL 78 - HB3 SER 102 far 0 84 0 - 8.2-16.9 QD1 LEU 64 - HB3 SER 102 far 0 78 0 - 8.6-18.3 QG2 ILE 93 - HB3 SER 102 far 0 67 0 - 8.8-14.8 HG13 ILE 56 - HB3 SER 102 far 0 80 0 - 8.9-20.7 HG13 ILE 93 - HB3 SER 102 far 0 76 0 - 9.4-18.4 QD2 LEU 27 - HB3 SER 102 far 0 84 0 - 9.5-13.4 Violated in 19 structures by 2.72 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 2 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 MET 21 far 0 91 0 - 8.6-9.2 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 3 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 - HB3 TRP 92 far 0 63 0 - 6.5-16.8 HA SER 102 - HB2 HIS 106 far 0 82 0 - 9.3-15.0 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 4 assignments used, quality = 1.00: * HA HIS 106 + HB3 HIS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 106 - HB3 HIS 105 poor 9 97 25 38 4.3-6.1 2.9/11097=24, ~4095=10, 11095=9 HA SER 102 - HB3 HIS 105 far 0 76 0 - 7.7-11.8 HA SER 102 - HB3 HIS 106 far 0 82 0 - 9.2-15.2 Violated in 0 structures by 0.00 A. Peak 11095 from cnoeabs.peaks (3.05, 4.41, 56.92 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 106 + HA HIS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 105 - HA HIS 106 poor 12 99 30 42 4.3-6.1 11097/2.9=27, ~4095=12, 11094=8 HD3 ARG 79 - HA HIS 106 far 0 92 0 - 8.0-17.1 HD2 ARG 79 - HA HIS 106 far 0 94 0 - 9.3-18.2 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 91 3.0-4.3 6886/11101=72...(5) Violated in 0 structures by 0.00 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 2.6-3.7 10348=99, 11101/6896=60...(19) 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 1.9-4.5 10349=99, 3.0/10348=71...(19) HB ILE 56 - HB VAL 54 far 0 92 0 - 5.8-7.2 HB2 LEU 42 - HB VAL 54 far 0 87 0 - 7.2-8.6 HG3 ARG 46 - HB VAL 54 far 0 100 0 - 8.2-11.8 Violated in 4 structures by 0.03 A. Peak 11105 from cnoeabs.peaks (7.75, 1.89, 35.51 ppm; 6.22 A): 1 out of 3 assignments used, quality = 1.00: H VAL 78 + HB VAL 54 OK 100 100 100 100 5.2-5.8 3.0/10348=100, 9684=96...(11) H SER 49 - HB VAL 54 far 0 84 0 - 9.2-11.4 H MET 74 - HB VAL 54 far 0 100 0 - 9.5-11.1 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 4.6-5.8 10371/3.1=85...(10) 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 4.1-4.5 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 3.4-4.3 9372/6945=96...(11) HA LEU 55 + HA LEU 57 OK 30 63 65 72 6.4-6.8 4.0/9351=32...(7) HA ARG 79 - HA LEU 57 far 0 100 0 - 8.2-9.3 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 2.9-3.4 10147=99, 8346/6102=64...(14) H ILE 7 + HA ILE 8 OK 93 95 100 98 4.7-5.3 6084/3.0=55, ~6087=39...(15) H THR 31 - HA ILE 8 far 0 91 0 - 7.2-7.9 H ALA 67 - HA ILE 8 far 0 100 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (8.49, 4.67, 52.29 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.99: H ARG 79 + HA LEU 55 OK 99 100 100 100 2.4-3.3 11118=93, 9697/6915=45...(15) H VAL 54 - HA LEU 55 far 15 100 15 - 4.6-5.2 H LYS 53 - HA LEU 55 far 0 84 0 - 8.1-8.5 H ILE 7 - HA LEU 55 far 0 68 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 11120 from cnoeabs.peaks (8.90, 5.33, 59.69 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.81: H LEU 57 + HA THR 80 OK 81 81 100 100 5.0-6.1 4.4/10293=79...(12) H ASP 77 - HA ILE 52 far 0 65 0 - 6.8-7.9 H VAL 5 - HA ILE 52 far 0 61 0 - 9.1-10.2 Violated in 7 structures by 0.06 A. Peak 11121 from cnoeabs.peaks (4.70, 3.68, 69.77 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.88: HA ARG 79 + HB THR 80 OK 88 96 100 92 4.5-5.3 7298/7306=86...(5) HA LYS 82 - HB THR 80 far 0 100 0 - 6.5-7.7 HA LEU 55 - HB THR 80 far 0 84 0 - 6.7-7.5 Violated in 14 structures by 0.19 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 2.0-2.8 9372=94, 6953/10228=67...(17) Violated in 0 structures by 0.00 A. Peak 11126 from cnoeabs.peaks (8.51, 5.34, 59.36 ppm; 3.68 A): 2 out of 9 assignments used, quality = 0.86: H LEU 2 + HA ILE 52 OK 63 100 65 98 3.0-5.3 8044=63, 8/8004=35...(14) H LYS 53 + HA ILE 52 OK 61 61 100 100 2.2-2.2 3.6=100 H ASN 51 - HA ILE 52 poor 20 79 25 - 4.2-5.4 H ARG 79 - HA THR 80 far 7 69 10 - 4.5-5.3 H VAL 58 - HA THR 80 far 0 37 0 - 5.0-6.4 H VAL 54 - HA ILE 52 far 0 96 0 - 5.9-6.4 H ALA 67 - HA THR 80 far 0 53 0 - 6.8-7.7 H VAL 54 - HA THR 80 far 0 63 0 - 7.7-9.0 H ARG 79 - HA ILE 52 far 0 100 0 - 9.0-10.3 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: HE2 LYS 53 + HA3 GLY 101 OK 94 100 100 94 2.0-6.7 3.0/10101=31...(18) HE3 LYS 53 + HA3 GLY 101 OK 89 100 95 94 2.0-7.6 3.0/10101=31...(18) Violated in 1 structures by 0.01 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 3.5-5.7 2.3/12221=92...(34) HD2 PRO 86 + HB2 LEU 14 OK 83 88 95 100 5.3-7.3 2.3/12221=92...(34) HB3 SER 9 + HB2 LEU 14 OK 63 63 100 100 2.9-5.7 2.8/12009=62, ~8403=62...(18) HB3 SER 9 + HB ILE 7 OK 55 55 100 100 5.9-7.1 ~8267=93, ~8322=76...(14) 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 = 0.94: HD3 PRO 86 + HB3 LEU 14 OK 73 73 100 100 4.4-6.3 ~12221=83, ~12011=76...(34) HD2 PRO 86 + HB3 LEU 14 OK 54 72 75 100 6.1-7.8 ~12221=83, ~12018=78...(33) HB3 SER 9 + HB3 LEU 14 OK 52 52 100 100 3.0-4.5 ~8403=66, ~8401=65...(21) 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 3.6-5.5 8403/3.1=95...(19) HG SER 9 - HB ILE 7 far 0 94 0 - 7.8-8.6 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 = 0.95: HG3 PRO 86 + HB2 LEU 14 OK 95 100 95 100 3.9-7.5 12221=100, 9890/3.0=78...(31) HB3 GLU 16 - HB2 LEU 14 far 0 85 0 - 6.8-9.1 HB3 GLU 16 - HB ILE 7 far 0 75 0 - 9.5-10.3 HB2 GLU 63 - HB ILE 7 far 0 92 0 - 9.6-10.4 Violated in 12 structures by 0.26 A. Peak 12012 from cnoeabs.peaks (1.23, 0.68, 25.60 ppm; 3.77 A): 0 out of 3 assignments used, quality = 0.00: QB ALA 18 - QD1 LEU 14 far 10 99 10 - 4.2-5.8 HB2 LEU 57 - QD1 LEU 14 far 3 60 5 - 4.6-5.9 QG2 THR 84 - QD1 LEU 14 far 0 98 0 - 5.0-6.3 Violated in 20 structures by 0.63 A. Peak 12013 from cnoeabs.peaks (1.23, 0.71, 24.40 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.96: QB ALA 18 + QD2 LEU 14 OK 94 100 100 94 2.8-4.3 12031=54, 643/12020=49...(17) HB2 LEU 57 + QD2 LEU 14 OK 34 67 85 61 3.5-4.5 9819/10403=26...(10) QG2 THR 84 - QD2 LEU 14 far 0 97 0 - 6.2-7.3 QB ALA 18 - QD2 LEU 6 far 0 63 0 - 6.5-7.4 HB2 LEU 57 - QD2 LEU 6 far 0 35 0 - 8.0-9.0 Violated in 9 structures by 0.03 A. Peak 12014 from cnoeabs.peaks (1.42, 0.68, 25.60 ppm; 3.44 A): 4 out of 14 assignments used, quality = 0.99: QB ALA 71 + QD1 LEU 42 OK 89 96 100 92 2.1-3.9 7165/10414=33...(19) HG3 LYS 39 + QD1 LEU 42 OK 81 87 95 98 2.5-4.6 1.8/10570=77...(13) HG LEU 38 + QD1 LEU 42 OK 35 56 75 83 3.8-5.3 ~12068=33, ~8921=21...(17) HB2 LEU 38 + QD1 LEU 42 OK 33 64 60 86 2.5-4.8 ~12068=24, 4.6/8947=20...(19) HG13 ILE 76 - QD1 LEU 42 far 0 92 0 - 4.8-6.8 HG12 ILE 7 - QD1 LEU 14 far 0 100 0 - 4.9-5.8 HG2 LYS 13 - QD1 LEU 14 far 0 98 0 - 6.7-7.6 HD2 LYS 82 - QD1 LEU 14 far 0 58 0 - 7.1-8.8 HG3 ARG 91 - QD1 LEU 14 far 0 72 0 - 7.9-11.6 HG13 ILE 52 - QD1 LEU 42 far 0 60 0 - 8.1-10.6 HG2 LYS 12 - QD1 LEU 14 far 0 84 0 - 8.6-9.6 QB ALA 22 - QD1 LEU 14 far 0 96 0 - 8.9-10.2 HG LEU 29 - QD1 LEU 14 far 0 96 0 - 9.2-10.6 HG2 LYS 20 - QD1 LEU 14 far 0 62 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 12015 from cnoeabs.peaks (1.42, 0.71, 24.40 ppm; 3.68 A): 1 out of 17 assignments used, quality = 1.00: HG12 ILE 7 + QD2 LEU 14 OK 100 100 100 100 2.9-3.5 10273=99, 2.1/10272=52...(21) HG LEU 29 - QD2 LEU 6 poor 17 57 30 - 3.9-5.5 HB2 LEU 38 - QD2 LEU 6 far 4 35 10 - 4.0-7.2 HG LEU 38 - QD2 LEU 6 far 2 31 5 - 4.4-7.5 QB ALA 22 - QD2 LEU 6 far 0 57 0 - 6.2-7.7 HG12 ILE 7 - QD2 LEU 6 far 0 63 0 - 6.6-7.6 QB ALA 71 - QD2 LEU 6 far 0 61 0 - 6.6-7.9 HG2 LYS 12 - QD2 LEU 14 far 0 85 0 - 7.3-8.6 HG LEU 29 - QD2 LEU 14 far 0 96 0 - 7.4-8.2 HG2 LYS 13 - QD2 LEU 14 far 0 98 0 - 7.4-8.2 HD2 LYS 82 - QD2 LEU 14 far 0 59 0 - 7.5-9.1 HB2 LEU 27 - QD2 LEU 6 far 0 33 0 - 7.6-10.1 HG13 ILE 52 - QD2 LEU 6 far 0 33 0 - 7.8-10.0 QB ALA 22 - QD2 LEU 14 far 0 96 0 - 7.8-8.9 HG3 LYS 39 - QD2 LEU 6 far 0 52 0 - 8.2-9.7 HG3 ARG 91 - QD2 LEU 14 far 0 73 0 - 8.4-11.4 HG2 LYS 20 - QD2 LEU 14 far 0 63 0 - 8.7-11.5 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 2.0-3.1 3.6/8411=54...(33) HD2 PRO 86 + QD1 LEU 14 OK 99 99 100 100 3.3-4.4 3.6/8411=54, 3.8/8424=42...(32) HA GLU 69 - QD1 LEU 42 far 0 76 0 - 6.4-7.6 HA GLU 75 - QD1 LEU 42 far 0 66 0 - 7.2-8.4 HA GLU 44 - QD1 LEU 42 far 0 57 0 - 8.6-8.7 Violated in 0 structures by 0.00 A. Peak 12018 from cnoeabs.peaks (3.98, 0.71, 24.40 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.80: HD3 PRO 86 + QD2 LEU 14 OK 80 100 80 100 4.8-5.7 3.6/8412=62...(32) HD2 PRO 86 - QD2 LEU 14 far 0 100 0 - 5.7-6.8 Violated in 20 structures by 0.55 A. Peak 12020 from cnoeabs.peaks (0.71, 3.26, 65.90 ppm; 3.40 A): 1 out of 9 assignments used, quality = 0.99: QD2 LEU 14 + HA ILE 15 OK 99 100 100 99 2.8-3.5 8413=58, 6215/3.0=50...(27) QD1 LEU 14 - HA ILE 15 far 0 70 0 - 5.1-5.8 QG1 VAL 5 - HA ILE 15 far 0 95 0 - 6.2-7.5 QD2 LEU 6 - HA ILE 15 far 0 86 0 - 7.8-9.2 QD1 ILE 8 - HA ILE 15 far 0 100 0 - 8.0-9.5 HG13 ILE 93 - HA ILE 15 far 0 70 0 - 8.2-9.1 QG1 VAL 58 - HA ILE 15 far 0 98 0 - 8.6-9.7 QD1 ILE 56 - HA ILE 15 far 0 100 0 - 9.7-12.6 QG2 VAL 58 - HA ILE 15 far 0 66 0 - 9.8-10.4 Violated in 9 structures by 0.03 A. Peak 12021 from cnoeabs.peaks (0.68, 3.26, 65.90 ppm; 3.98 A): 3 out of 9 assignments used, quality = 0.95: QD2 LEU 14 + HA ILE 15 OK 79 79 100 100 2.8-3.5 8413=69, 6215/3.0=54...(29) QD1 LEU 29 + HA ILE 15 OK 61 81 90 83 4.1-5.1 8672/772=47, 8689=25...(11) QD2 LEU 29 + HA ILE 15 OK 37 60 80 77 4.0-5.2 2.1/8689=33...(11) QD1 LEU 14 - HA ILE 15 far 0 100 0 - 5.1-5.8 QD2 LEU 6 - HA ILE 15 far 0 99 0 - 7.8-9.2 QD1 ILE 8 - HA ILE 15 far 0 78 0 - 8.0-9.5 QG1 VAL 58 - HA ILE 15 far 0 56 0 - 8.6-9.7 QD1 ILE 56 - HA ILE 15 far 0 81 0 - 9.7-12.6 QG2 VAL 58 - HA ILE 15 far 0 99 0 - 9.8-10.4 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 11 assignments used, quality = 0.94: HG13 ILE 7 + HG12 ILE 15 OK 94 94 100 100 3.2-5.4 10118/1.8=91, ~8469=74...(19) QD1 LEU 2 - HD2 LYS 47 far 5 94 5 - 6.1-11.0 QD1 LEU 2 - HD3 LYS 47 far 0 95 0 - 6.7-9.7 QG1 VAL 32 - HG12 ILE 15 far 0 74 0 - 7.2-8.2 HG13 ILE 8 - HG12 ILE 15 far 0 98 0 - 7.4-8.9 QG2 ILE 76 - HD3 LYS 47 far 0 94 0 - 7.7-9.6 QG2 ILE 76 - HD2 LYS 47 far 0 93 0 - 7.9-9.8 HG13 ILE 7 - HD2 LYS 12 far 0 61 0 - 8.1-12.3 HG13 ILE 7 - HD3 LYS 12 far 0 61 0 - 8.4-12.5 QD1 LEU 38 - HG12 ILE 15 far 0 95 0 - 8.5-13.0 HG13 ILE 7 - HD3 LYS 90 far 0 92 0 - 8.8-12.8 Violated in 1 structures by 0.01 A. Peak 12025 from cnoeabs.peaks (1.42, 1.69, 29.40 ppm; 3.50 A): 5 out of 36 assignments used, quality = 0.98: HG3 ARG 91 + HB3 ARG 91 OK 65 65 100 100 2.2-2.9 2.8=100 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 2.4-3.0 3.0=100 HG2 LYS 20 + HD2 LYS 20 OK 45 45 100 100 2.2-2.9 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 42 42 100 100 2.3-3.0 2.8=100 HG3 ARG 91 - HD3 LYS 90 poor 14 71 35 57 2.1-10.3 4.8/7438=12, 1.8/4039=12...(11) HG2 LYS 12 - HG12 ILE 15 far 0 85 0 - 4.6-6.6 HG12 ILE 7 - HG12 ILE 15 far 0 100 0 - 4.8-6.8 QB ALA 22 - HD3 LYS 20 far 0 71 0 - 6.0-8.8 HG2 LYS 13 - HD3 LYS 12 far 0 67 0 - 6.1-9.8 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.1-12.4 QB ALA 22 - HD2 LYS 20 far 0 75 0 - 6.1-8.7 QB ALA 22 - HD3 LYS 90 far 0 94 0 - 6.3-10.0 HG LEU 29 - HG12 ILE 15 far 0 96 0 - 6.3-8.2 HG2 LYS 13 - HD2 LYS 12 far 0 67 0 - 6.8-10.0 HG13 ILE 52 - HD2 LYS 47 far 0 55 0 - 6.8-11.5 HG13 ILE 52 - HD3 LYS 47 far 0 56 0 - 7.5-12.1 QB ALA 22 - HG12 ILE 15 far 0 96 0 - 8.8-10.3 HG2 LYS 12 - HD2 LYS 20 far 0 64 0 - 8.8-13.1 HG LEU 29 - HD2 LYS 20 far 0 75 0 - 8.9-12.4 HG12 ILE 7 - HD3 LYS 90 far 0 99 0 - 9.0-12.0 HG2 LYS 13 - HD2 LYS 20 far 0 79 0 - 9.0-12.9 HG2 LYS 13 - HD3 LYS 20 far 0 75 0 - 9.0-13.6 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 9.1-12.4 HG2 LYS 20 - HD3 LYS 12 far 0 37 0 - 9.1-14.0 HG LEU 29 - HD3 LYS 20 far 0 71 0 - 9.3-12.9 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 9.4-12.2 HG LEU 29 - HD3 LYS 90 far 0 94 0 - 9.4-13.5 HG2 LYS 13 - HG12 ILE 15 far 0 98 0 - 9.5-11.0 HG2 LYS 20 - HD2 LYS 12 far 0 37 0 - 9.5-14.5 HB2 LEU 27 - HD3 LYS 90 far 0 61 0 - 9.7-13.7 HG2 LYS 12 - HD3 LYS 20 far 0 60 0 - 9.8-13.3 HG2 LYS 20 - HG12 ILE 15 far 0 63 0 - 9.8-12.6 HG12 ILE 7 - HD2 LYS 12 far 0 69 0 - 9.9-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 97 0 - 9.9-14.9 QB ALA 22 - HB3 ARG 91 far 0 89 0 - 9.9-11.4 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 2.6-5.2 1.8/12027=96, ~12029=65...(14) QB ALA 89 + HB2 GLU 17 OK 76 88 100 86 3.5-5.2 9940/742=55, 3.6/736=35...(6) HG LEU 14 + HB2 GLU 17 OK 67 69 100 97 5.1-6.1 ~10429=47, ~9103=42...(13) QB ALA 25 - HB2 GLU 17 far 0 88 0 - 9.6-10.8 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 4 assignments used, quality = 0.98: HG3 LYS 90 + HB2 GLU 17 OK 98 100 100 98 2.2-4.7 12029/1.8=67, ~12028=49...(15) HG2 ARG 19 - HB2 GLU 17 far 0 100 0 - 7.2-9.4 HD3 LYS 94 - HB2 GLU 17 far 0 94 0 - 8.3-10.8 HG2 LYS 24 - HB2 GLU 17 far 0 100 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 12028 from cnoeabs.peaks (1.29, 2.01, 29.00 ppm; 5.69 A): 1 out of 7 assignments used, quality = 0.99: HG2 LYS 90 + HB3 GLU 17 OK 99 100 100 100 3.6-5.5 1.8/12029=78, ~12027=78...(19) HG2 ARG 30 - HB2 GLU 44 far 3 62 5 - 6.4-11.1 HB3 LEU 42 - HB2 GLU 44 far 0 58 0 - 7.0-8.3 HG LEU 3 - HB3 GLU 99 far 0 33 0 - 7.0-11.2 HG2 ARG 30 - HB3 GLU 44 far 0 62 0 - 7.4-11.0 HB3 LEU 42 - HB3 GLU 44 far 0 58 0 - 8.4-8.9 HG LEU 3 - HB2 GLN 50 far 0 92 0 - 10.0-12.5 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 = 0.94: HG3 LYS 90 + HB3 GLU 17 OK 92 100 95 97 3.7-5.9 12027/1.8=75...(12) HD2 LYS 66 + HB2 GLU 35 OK 23 50 50 91 3.4-9.2 12289/2.9=54...(11) HG LEU 103 - HB3 GLU 99 far 3 35 10 - 4.3-11.2 HD3 LYS 53 - HB3 GLU 99 far 2 23 10 - 4.9-8.8 HB2 LEU 103 - HB3 GLU 99 far 2 34 5 - 2.7-12.5 HG2 ARG 19 - HB3 GLU 17 far 0 100 0 - 6.9-8.6 HB2 ARG 79 - HB3 GLU 99 far 0 28 0 - 7.2-11.7 HB2 ARG 30 - HB2 GLU 44 far 0 49 0 - 7.6-10.2 HB2 LEU 3 - HB3 GLU 99 far 0 24 0 - 7.8-11.5 HB3 GLU 28 - HB2 GLU 44 far 0 55 0 - 8.2-11.2 HB3 GLU 28 - HB3 GLU 44 far 0 55 0 - 8.4-11.0 HB2 ARG 30 - HB3 GLU 44 far 0 49 0 - 8.8-10.4 HG LEU 27 - HB3 GLU 99 far 0 29 0 - 9.0-12.3 HG3 LYS 73 - HB2 GLU 35 far 0 53 0 - 9.0-13.6 HD3 LYS 94 - HB3 GLU 17 far 0 93 0 - 9.5-12.2 HB3 LEU 29 - HB3 GLU 17 far 0 95 0 - 9.6-10.7 HG2 LYS 33 - HB2 GLU 35 far 0 38 0 - 9.6-10.5 HD3 LYS 53 - HB2 GLN 50 far 0 71 0 - 9.7-12.1 Violated in 4 structures by 0.04 A. Peak 12030 from cnoeabs.peaks (1.34, 3.77, 55.00 ppm; 4.30 A): 1 out of 6 assignments used, quality = 0.95: QB ALA 89 + HA ALA 18 OK 95 99 100 96 2.8-4.3 9932/8480=77...(11) HG LEU 14 - HA ALA 18 far 0 98 0 - 5.7-7.4 QB ALA 25 - HA ALA 18 far 0 99 0 - 7.0-8.2 HG2 LYS 94 - HA ALA 18 far 0 99 0 - 8.0-11.1 HG3 LYS 94 - HA ALA 18 far 0 56 0 - 9.0-10.7 HB3 LEU 27 - HA ALA 18 far 0 99 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 12031 from cnoeabs.peaks (0.71, 1.23, 18.00 ppm; 3.23 A): 3 out of 14 assignments used, quality = 0.95: QD2 LEU 14 + QB ALA 18 OK 87 100 95 92 2.8-4.3 12013=58, 12020/643=41...(16) HG13 ILE 93 + QB ALA 18 OK 45 71 70 91 3.4-4.7 2.1/10020=64, ~8480=32...(10) QG1 VAL 5 + QB ALA 18 OK 30 95 95 33 3.2-4.4 2.1/8486=14...(7) QD1 LEU 14 - QB ALA 18 far 0 71 0 - 4.2-5.8 QD2 LEU 6 - QB ALA 18 far 0 86 0 - 6.5-7.4 QD1 ILE 8 - QB ALA 18 far 0 100 0 - 7.0-8.7 QG1 VAL 58 - QB ALA 18 far 0 98 0 - 7.4-8.2 QD1 ILE 56 - QB ALA 18 far 0 100 0 - 7.6-9.7 QG2 VAL 58 - QB ALA 18 far 0 67 0 - 8.2-8.7 HG13 ILE 56 - QB ALA 18 far 0 100 0 - 8.3-10.6 QD2 LEU 27 - QB ALA 18 far 0 92 0 - 8.3-9.3 HG3 ARG 81 - QB ALA 18 far 0 78 0 - 8.7-10.9 QG1 VAL 78 - QB ALA 18 far 0 67 0 - 9.4-12.0 QG2 VAL 78 - QB ALA 18 far 0 98 0 - 9.4-11.7 Violated in 1 structures by 0.01 A. Peak 12032 from cnoeabs.peaks (0.68, 1.23, 18.00 ppm; 3.03 A): 3 out of 11 assignments used, quality = 0.94: QD1 LEU 29 + QB ALA 18 OK 73 81 100 90 1.8-2.3 8672=58, 8691/6283=13...(19) QD2 LEU 29 + QB ALA 18 OK 55 61 100 91 2.9-3.5 2.1/8672=53...(22) QD2 LEU 14 + QB ALA 18 OK 50 80 85 74 2.8-4.3 12013=33, 8413/643=21...(14) QD1 LEU 14 - QB ALA 18 far 0 100 0 - 4.2-5.8 QD2 LEU 6 - QB ALA 18 far 0 99 0 - 6.5-7.4 QD1 ILE 8 - QB ALA 18 far 0 78 0 - 7.0-8.7 QG1 VAL 58 - QB ALA 18 far 0 56 0 - 7.4-8.2 QD1 ILE 56 - QB ALA 18 far 0 81 0 - 7.6-9.7 QG2 VAL 58 - QB ALA 18 far 0 100 0 - 8.2-8.7 HG13 ILE 56 - QB ALA 18 far 0 69 0 - 8.3-10.6 QG2 VAL 54 - QB ALA 18 far 0 83 0 - 9.3-10.2 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 2.3-4.0 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): 0 out of 3 assignments used, quality = 0.00: QE PHE 96 - QD2 LEU 2 poor 12 61 20 - 5.9-7.5 HE21 GLN 50 - QD2 LEU 2 far 10 100 10 - 5.8-9.5 QE PHE 96 - QD2 LEU 103 far 1 29 5 - 6.2-11.7 Violated in 20 structures by 0.61 A. Peak 12039 from cnoeabs.peaks (1.46, 0.88, 24.80 ppm; 3.47 A): 1 out of 13 assignments used, quality = 0.49: HG13 ILE 52 + QD1 LEU 2 OK 49 100 50 98 2.3-5.9 12040/2.1=68...(19) HD2 LYS 53 - QD1 LEU 103 far 0 68 0 - 5.2-12.0 HG2 LYS 47 - QD1 LEU 2 far 0 75 0 - 5.3-10.0 HG2 LYS 53 - QD1 LEU 103 far 0 68 0 - 6.1-13.4 HG3 LYS 53 - QD1 LEU 103 far 0 66 0 - 6.1-13.0 HG3 LYS 53 - QD1 LEU 2 far 0 99 0 - 6.2-8.5 HG2 LYS 53 - QD1 LEU 2 far 0 100 0 - 6.6-7.3 HD2 LYS 53 - QD1 LEU 2 far 0 100 0 - 7.1-9.0 HG13 ILE 76 - QD1 LEU 2 far 0 87 0 - 8.7-12.4 HB2 LEU 27 - QD1 LEU 2 far 0 100 0 - 9.0-10.6 QB ALA 22 - QD1 LEU 2 far 0 85 0 - 9.1-10.8 HB2 ARG 91 - QD1 LEU 103 far 0 50 0 - 9.1-20.3 HG3 ARG 91 - QD1 LEU 103 far 0 66 0 - 9.8-20.2 Violated in 12 structures by 0.88 A. Peak 12040 from cnoeabs.peaks (1.46, 0.81, 23.50 ppm; 3.42 A): 1 out of 15 assignments used, quality = 0.93: HG13 ILE 52 + QD2 LEU 2 OK 93 100 95 98 1.9-4.6 12039/2.1=65, ~8051=24...(18) HG3 LYS 53 - QD2 LEU 2 far 5 99 5 - 4.2-6.6 HG2 LYS 53 - QD2 LEU 2 far 0 100 0 - 4.4-5.4 HD2 LYS 53 - QD2 LEU 2 far 0 100 0 - 5.2-7.1 HD2 LYS 53 - QD2 LEU 103 far 0 59 0 - 5.3-11.4 HG2 LYS 47 - QD2 LEU 2 far 0 75 0 - 5.5-10.0 HG2 LYS 53 - QD2 LEU 103 far 0 58 0 - 5.7-12.2 HG3 LYS 53 - QD2 LEU 103 far 0 57 0 - 6.9-11.4 HB2 LEU 27 - QD2 LEU 2 far 0 100 0 - 8.0-10.1 HG13 ILE 76 - QD2 LEU 2 far 0 87 0 - 8.2-11.2 QB ALA 22 - QD2 LEU 2 far 0 85 0 - 8.4-10.2 HG13 ILE 52 - QD2 LEU 103 far 0 58 0 - 9.1-16.5 HG13 ILE 76 - QD2 LEU 103 far 0 45 0 - 9.5-19.5 HG3 ARG 91 - QD2 LEU 103 far 0 57 0 - 9.9-20.7 HG LEU 64 - QD2 LEU 103 far 0 49 0 - 10.0-20.4 Violated in 3 structures by 0.09 A. Peak 12041 from cnoeabs.peaks (1.45, 2.93, 31.90 ppm; 6.45 A): 2 out of 7 assignments used, quality = 0.94: QB ALA 22 + HG2 MET 21 OK 93 93 100 100 3.6-6.2 2.9/6349=94, ~6347=79...(20) HG2 LYS 20 + HG2 MET 21 OK 22 96 35 67 5.0-8.5 892/6335=53, ~12166=13...(4) HG3 ARG 91 - HG2 MET 21 poor 15 97 45 34 6.0-10.1 4.0/12238=20...(4) HB2 ARG 91 - HG2 MET 21 poor 11 59 60 33 5.3-9.3 3.0/12238=23, ~8541=6 HB2 LEU 27 - HG2 MET 21 far 5 96 5 - 5.5-9.6 HG LEU 29 - HG2 MET 21 far 0 93 0 - 8.2-10.8 HG12 ILE 7 - HG2 MET 21 far 0 80 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 12042 from cnoeabs.peaks (1.67, 2.94, 31.90 ppm; 5.39 A): 1 out of 8 assignments used, quality = 0.83: HD3 LYS 90 + HG2 MET 21 OK 83 84 100 100 2.5-6.2 5.2/3920=63...(16) HG3 LYS 20 - HG2 MET 21 poor 20 100 20 - 5.0-9.1 HB3 ARG 91 - HG2 MET 21 poor 20 98 20 - 6.0-9.2 HD3 LYS 20 - HG2 MET 21 far 5 100 5 - 6.0-9.2 HD3 LYS 24 - HG2 MET 21 far 0 84 0 - 6.4-9.5 HD2 LYS 20 - HG2 MET 21 far 0 100 0 - 6.6-10.0 HD2 LYS 24 - HG2 MET 21 far 0 85 0 - 6.9-9.2 HG2 PRO 86 - HG2 MET 21 far 0 90 0 - 9.2-12.8 Violated in 2 structures by 0.05 A. Peak 12043 from cnoeabs.peaks (1.44, 2.40, 31.90 ppm; 5.24 A): 2 out of 12 assignments used, quality = 0.99: QB ALA 22 + HB3 MET 21 OK 97 97 100 100 3.8-4.4 6353/4.6=81, ~6347=74...(20) QB ALA 22 + HG3 MET 21 OK 65 100 65 100 4.2-6.2 ~6349=57, ~6347=55...(18) HG2 LYS 20 - HG3 MET 21 poor 19 94 20 - 3.5-8.8 HG2 LYS 20 - HB3 MET 21 far 14 90 15 - 3.8-8.4 HG3 ARG 91 - HG3 MET 21 far 5 98 5 - 5.6-10.9 HB2 LEU 27 - HB3 MET 21 far 0 90 0 - 6.2-7.6 HB2 LEU 27 - HG3 MET 21 far 0 94 0 - 6.7-9.7 HG LEU 29 - HB3 MET 21 far 0 97 0 - 7.2-9.5 HG3 ARG 91 - HB3 MET 21 far 0 94 0 - 7.7-11.0 HG LEU 29 - HG3 MET 21 far 0 100 0 - 8.0-11.2 HG12 ILE 7 - HG3 MET 21 far 0 95 0 - 9.1-12.6 HG12 ILE 7 - HB3 MET 21 far 0 91 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 12044 from cnoeabs.peaks (1.68, 2.40, 31.90 ppm; 5.30 A): 2 out of 15 assignments used, quality = 0.93: HD3 LYS 90 + HG3 MET 21 OK 90 91 100 99 3.3-5.8 12042/1.8=79, ~8557=37...(20) HD3 LYS 90 + HB3 MET 21 OK 25 86 30 99 3.0-7.8 12042/3.0=67, ~8557=29...(23) HD3 LYS 20 - HG3 MET 21 poor 20 100 20 - 4.5-8.9 HG3 LYS 20 - HG3 MET 21 poor 15 100 25 61 3.2-9.6 903/5.1=44, 3.0/12166=10...(5) HG3 LYS 20 - HB3 MET 21 far 15 98 15 - 4.3-8.5 HD3 LYS 20 - HB3 MET 21 far 15 98 15 - 5.6-9.6 HD2 LYS 20 - HG3 MET 21 poor 11 100 30 36 5.2-10.0 925/5.1=17, 3.5/12166=9...(4) HD2 LYS 20 - HB3 MET 21 far 10 98 10 - 5.7-9.6 HD3 LYS 24 - HB3 MET 21 far 0 86 0 - 6.2-9.1 HD3 LYS 24 - HG3 MET 21 far 0 91 0 - 6.3-8.5 HD2 LYS 24 - HG3 MET 21 far 0 92 0 - 6.5-8.9 HB3 ARG 91 - HG3 MET 21 far 0 100 0 - 6.6-9.0 HD2 LYS 24 - HB3 MET 21 far 0 87 0 - 6.8-8.9 HB3 ARG 91 - HB3 MET 21 far 0 97 0 - 7.8-9.6 HG2 PRO 86 - HG3 MET 21 far 0 95 0 - 9.3-11.5 Violated in 3 structures by 0.02 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 1.9-4.5 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 3.0-4.6 1.8/10072=99, 10077=96...(14) HB3 SER 97 + HG LEU 27 OK 90 90 100 100 2.4-5.2 1.8/10077=100, 10072=87...(15) Violated in 0 structures by 0.00 A. Peak 12049 from cnoeabs.peaks (8.50, 0.65, 26.60 ppm; 4.87 A): 0 out of 4 assignments used, quality = 0.00: H THR 31 - QD1 LEU 29 far 0 100 0 - 6.1-6.8 H VAL 32 - QD1 LEU 29 far 0 91 0 - 6.7-7.6 H ARG 79 - QD1 LEU 29 far 0 100 0 - 9.6-10.6 H VAL 54 - QD1 LEU 29 far 0 98 0 - 9.7-10.6 Violated in 20 structures by 1.03 A. Peak 12050 from cnoeabs.peaks (8.50, 0.64, 24.70 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.94: H THR 31 + QD2 LEU 29 OK 94 100 100 94 4.0-4.5 6501/8731=50...(11) H VAL 32 - QD2 LEU 29 far 0 92 0 - 5.5-6.4 Violated in 20 structures by 0.25 A. Peak 12051 from cnoeabs.peaks (3.87, 0.46, 24.70 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.99: HA2 GLY 100 + QD1 LEU 3 OK 99 100 100 100 2.5-5.1 10093=69, 1.8/10089=62...(13) HA2 GLY 101 - QD1 LEU 3 far 0 100 0 - 5.4-7.7 HA3 GLY 101 - QD1 LEU 3 far 0 89 0 - 5.6-8.2 HA LYS 94 - QD1 LEU 3 far 0 100 0 - 6.3-8.8 HB2 SER 102 - QD1 LEU 3 far 0 88 0 - 7.5-11.5 Violated in 9 structures by 0.18 A. Peak 12053 from cnoeabs.peaks (3.87, 0.26, 24.10 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.98: HA2 GLY 100 + QD2 LEU 3 OK 95 100 95 100 2.9-5.6 12051/2.1=84...(18) HA2 GLY 101 + QD2 LEU 3 OK 45 100 50 91 4.3-7.1 ~10104=38, 3.0/10105=35...(15) HA3 GLY 101 + QD2 LEU 3 OK 37 89 45 93 3.7-7.2 ~10104=38, 3.0/10105=35...(15) HB2 SER 102 - QD2 LEU 3 far 0 88 0 - 6.3-10.3 HA LYS 94 - QD2 LEU 3 far 0 100 0 - 8.0-9.5 HB3 SER 49 - QD2 LEU 3 far 0 96 0 - 9.7-11.8 Violated in 1 structures by 0.01 A. Peak 12055 from cnoeabs.peaks (4.61, 1.94, 34.50 ppm; 4.35 A): 3 out of 6 assignments used, quality = 1.00: HA ILE 8 + HB VAL 32 OK 100 100 100 100 2.8-4.0 10163/2.1=67...(13) HB THR 34 + HB3 LYS 33 OK 33 59 60 93 5.0-6.3 ~8755=45, 2.1/8757=42...(6) HB THR 34 + HB2 LYS 33 OK 24 63 40 93 5.0-6.5 ~8755=45, 2.1/8757=42...(6) HA ILE 8 - HB2 LYS 33 far 0 70 0 - 5.5-7.5 HA ILE 8 - HB3 LYS 33 far 0 65 0 - 5.9-7.9 HB THR 34 - HB VAL 32 far 0 96 0 - 8.1-8.8 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 31 assignments used, quality = 1.00: QG2 ILE 8 + HB VAL 32 OK 100 100 100 100 3.3-4.3 3.0/12200=68, 12205=64...(19) QG2 ILE 7 + HB VAL 32 OK 68 99 85 81 4.2-5.1 6077/8270=38...(7) QD2 LEU 38 + HB VAL 32 OK 65 73 100 89 2.2-4.8 3.1/10158=29, ~8944=27...(17) QD1 LEU 6 + HB VAL 32 OK 62 92 70 97 3.9-5.6 ~10159=47, ~10337=37...(14) QG2 ILE 8 - HB3 LYS 33 poor 16 64 25 - 4.7-6.6 QG2 ILE 8 - HB2 LYS 33 far 10 69 15 - 4.2-6.3 QD1 ILE 15 - HB3 LYS 33 far 0 41 0 - 5.8-8.5 QD1 LEU 70 - HB VAL 32 far 0 85 0 - 6.1-9.6 QD1 ILE 15 - HB2 LYS 33 far 0 45 0 - 6.2-8.2 QD1 ILE 15 - HB VAL 32 far 0 75 0 - 6.3-7.6 QD2 LEU 57 - HB VAL 32 far 0 100 0 - 6.8-8.3 QD2 LEU 38 - HB3 LYS 33 far 0 40 0 - 6.8-8.5 QD2 LEU 38 - HB2 LYS 33 far 0 44 0 - 7.0-8.3 QG1 VAL 54 - HB VAL 32 far 0 79 0 - 7.0-8.2 QG2 ILE 15 - HB VAL 32 far 0 93 0 - 7.1-8.1 HG13 ILE 15 - HB VAL 32 far 0 65 0 - 7.1-9.1 QG2 ILE 7 - HB2 LYS 33 far 0 68 0 - 7.2-8.5 QG2 ILE 7 - HB3 LYS 33 far 0 63 0 - 7.4-8.6 QD2 LEU 42 - HB VAL 32 far 0 87 0 - 7.8-9.1 QG2 ILE 15 - HB3 LYS 33 far 0 55 0 - 7.9-9.9 QD2 LEU 70 - HB VAL 32 far 0 95 0 - 8.1-10.6 QG2 ILE 15 - HB2 LYS 33 far 0 60 0 - 8.2-9.7 QD1 LEU 57 - HB VAL 32 far 0 63 0 - 8.3-9.4 QD1 LEU 70 - HB3 LYS 33 far 0 49 0 - 8.5-11.8 HG13 ILE 15 - HB3 LYS 33 far 0 35 0 - 8.7-11.6 HG13 ILE 15 - HB2 LYS 33 far 0 38 0 - 8.8-11.4 QD1 LEU 6 - HB3 LYS 33 far 0 54 0 - 8.9-10.5 QD1 LEU 6 - HB2 LYS 33 far 0 59 0 - 8.9-11.0 QD1 LEU 70 - HB2 LYS 33 far 0 53 0 - 9.1-12.2 QD1 ILE 93 - HB VAL 32 far 0 91 0 - 9.5-10.8 QD2 LEU 70 - HB3 LYS 33 far 0 57 0 - 9.7-12.6 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 3 assignments used, quality = 0.98: H LEU 38 + HA GLU 35 OK 98 100 100 98 3.2-3.8 6585=44, 8941/3.6=42...(18) H LEU 38 - HA LYS 40 far 0 56 0 - 6.6-7.1 H ILE 76 - HA GLU 43 far 0 72 0 - 7.2-9.0 Violated in 0 structures by 0.00 A. Peak 12058 from cnoeabs.peaks (1.68, 2.08, 29.40 ppm; 3.50 A): 5 out of 35 assignments used, quality = 0.89: HD2 LYS 20 + HB2 GLU 16 OK 56 90 80 78 2.3-6.3 12146=30, 1.8/12146=22...(20) HD3 LYS 20 + HB2 GLU 16 OK 49 90 70 78 2.2-7.5 12146=26, 1.8/12145=25...(20) HG LEU 70 + HB3 GLU 35 OK 24 94 30 84 3.1-7.1 2.1/10527=21...(18) HG3 LYS 20 + HB2 GLU 16 OK 22 90 35 70 3.2-6.8 2.8/12146=20...(15) HD2 LYS 24 + HB2 GLU 23 OK 21 78 55 48 2.9-7.7 6387/4.6=10, ~10461=10...(12) HD3 LYS 24 - HB2 GLU 23 poor 17 77 45 48 3.2-7.5 6387/4.6=11, ~10461=10...(12) HD3 LYS 66 - HB3 GLU 35 far 5 91 5 - 3.7-8.0 HD2 LYS 12 - HB2 GLU 16 far 4 79 5 - 3.6-9.7 HD3 LYS 13 - HB2 GLU 16 far 0 76 0 - 4.6-8.4 HD2 LYS 39 - HB3 GLU 35 far 0 84 0 - 4.8-8.6 HB3 LYS 40 - HB3 GLU 43 far 0 83 0 - 4.8-6.2 HB3 LEU 70 - HB3 GLU 35 far 0 67 0 - 5.0-8.1 HD2 LYS 13 - HB2 GLU 16 far 0 79 0 - 5.1-9.2 HD3 LYS 12 - HB2 GLU 16 far 0 79 0 - 5.3-9.7 HD2 LYS 47 - HB3 GLU 43 far 0 83 0 - 5.4-9.6 HB2 LYS 40 - HB3 GLU 43 far 0 51 0 - 5.5-6.6 HD3 LYS 47 - HB3 GLU 43 far 0 83 0 - 5.6-9.0 HG3 LYS 20 - HB2 GLU 23 far 0 84 0 - 6.0-8.2 HD3 LYS 39 - HB3 GLU 35 far 0 59 0 - 6.0-8.9 HD3 LYS 20 - HB2 GLU 23 far 0 84 0 - 6.1-9.3 HD3 LYS 73 - HB3 GLU 35 far 0 96 0 - 6.1-14.0 HD2 LYS 20 - HB2 GLU 23 far 0 85 0 - 6.2-9.2 HD3 LYS 39 - HB3 GLU 43 far 0 43 0 - 6.6-9.2 HD2 LYS 39 - HB3 GLU 43 far 0 63 0 - 6.7-9.8 HD2 LYS 73 - HB3 GLU 35 far 0 97 0 - 6.8-14.4 HG12 ILE 15 - HB2 GLU 16 far 0 86 0 - 6.9-8.5 HD3 LYS 90 - HB2 GLU 16 far 0 83 0 - 7.9-12.3 HB2 LYS 40 - HB3 GLU 35 far 0 69 0 - 8.3-10.0 HG2 PRO 86 - HB2 GLU 16 far 0 86 0 - 8.4-11.2 HB ILE 76 - HB3 GLU 43 far 0 48 0 - 8.5-9.8 HB3 LEU 70 - HB3 GLU 43 far 0 49 0 - 8.9-12.2 HB3 LYS 40 - HB3 GLU 35 far 0 100 0 - 9.1-11.2 HG2 LYS 68 - HB3 GLU 35 far 0 61 0 - 9.2-14.0 HD3 LYS 24 - HB2 GLU 16 far 0 83 0 - 9.9-15.4 HB3 LEU 6 - HB3 GLU 35 far 0 73 0 - 10.0-12.2 Violated in 1 structures by 0.00 A. Peak 12060 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.99 A): 8 out of 21 assignments used, quality = 1.00: HB2 LYS 39 + HG3 GLU 35 OK 94 100 95 100 3.1-7.0 3.0/10532=73, 10576=46...(17) HB2 LEU 42 + HG2 GLU 43 OK 89 92 100 97 3.6-4.6 6673/10591=65...(9) HB2 LYS 39 + HG2 GLU 35 OK 89 100 90 99 3.4-6.2 ~10532=61, 10576/1.8=40...(18) HB2 LYS 39 + HG2 GLU 43 OK 50 93 55 97 5.0-7.1 3.6/12308=71, ~10574=46...(10) HB2 LYS 66 + HG2 GLU 35 OK 30 69 50 88 3.0-7.5 3.6/12289=62, ~10434=23...(10) HB2 LYS 66 + HG3 GLU 35 OK 29 69 60 69 3.2-6.8 ~10434=23, ~12158=16...(10) HG2 ARG 46 + HG2 GLU 43 OK 28 75 45 82 4.1-8.0 3.0/11072=42...(7) HG3 ARG 46 + HG2 GLU 43 OK 21 89 30 81 3.9-7.6 10173/3.7=46...(7) HB2 GLU 104 - HG2 GLU 99 far 2 38 5 - 5.9-13.5 HG3 ARG 46 - HG3 GLU 75 far 0 41 0 - 6.1-9.9 HG2 ARG 46 - HG3 GLU 75 far 0 33 0 - 6.6-9.9 HB2 LEU 42 - HG3 GLU 35 far 0 99 0 - 7.2-11.4 HG3 ARG 46 - HG2 GLU 75 far 0 37 0 - 7.4-10.3 HG2 ARG 46 - HG2 GLU 75 far 0 30 0 - 7.8-10.3 HB2 LEU 42 - HG2 GLU 35 far 0 99 0 - 8.1-10.6 HB ILE 93 - HG2 GLU 98 far 0 47 0 - 8.4-11.2 HB3 GLU 63 - HG2 GLU 35 far 0 89 0 - 8.7-13.2 HB ILE 56 - HG2 GLU 35 far 0 63 0 - 9.4-14.4 HB3 GLU 63 - HG3 GLU 35 far 0 89 0 - 9.4-13.0 HB2 LEU 42 - HG3 GLU 75 far 0 43 0 - 9.4-12.2 HB ILE 93 - HG2 GLU 99 far 0 39 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 12061 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.99 A): 8 out of 21 assignments used, quality = 1.00: HB2 LYS 39 + HG3 GLU 35 OK 94 100 95 100 3.1-7.0 3.0/10532=73, 10576=46...(17) HB2 LEU 42 + HG2 GLU 43 OK 89 92 100 97 3.6-4.6 6673/10591=65...(9) HB2 LYS 39 + HG2 GLU 35 OK 89 100 90 99 3.4-6.2 ~10532=61, 10576/1.8=40...(18) HB2 LYS 39 + HG2 GLU 43 OK 50 93 55 97 5.0-7.1 3.6/12308=71, ~10574=46...(10) HB2 LYS 66 + HG2 GLU 35 OK 30 69 50 88 3.0-7.5 3.6/12289=62, ~10434=23...(10) HB2 LYS 66 + HG3 GLU 35 OK 29 69 60 69 3.2-6.8 ~10434=23, ~12158=16...(10) HG2 ARG 46 + HG2 GLU 43 OK 28 75 45 82 4.1-8.0 3.0/11072=42...(7) HG3 ARG 46 + HG2 GLU 43 OK 21 89 30 81 3.9-7.6 10173/3.7=46...(7) HB2 GLU 104 - HG2 GLU 99 far 2 38 5 - 5.9-13.5 HG3 ARG 46 - HG3 GLU 75 far 0 41 0 - 6.1-9.9 HG2 ARG 46 - HG3 GLU 75 far 0 33 0 - 6.6-9.9 HB2 LEU 42 - HG3 GLU 35 far 0 99 0 - 7.2-11.4 HG3 ARG 46 - HG2 GLU 75 far 0 37 0 - 7.4-10.3 HG2 ARG 46 - HG2 GLU 75 far 0 30 0 - 7.8-10.3 HB2 LEU 42 - HG2 GLU 35 far 0 99 0 - 8.1-10.6 HB ILE 93 - HG2 GLU 98 far 0 47 0 - 8.4-11.2 HB3 GLU 63 - HG2 GLU 35 far 0 89 0 - 8.7-13.2 HB ILE 56 - HG2 GLU 35 far 0 63 0 - 9.4-14.4 HB3 GLU 63 - HG3 GLU 35 far 0 89 0 - 9.4-13.0 HB2 LEU 42 - HG3 GLU 75 far 0 43 0 - 9.4-12.2 HB ILE 93 - HG2 GLU 99 far 0 39 0 - 9.6-12.3 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: HG3 GLU 35 + HB2 LEU 38 OK 76 94 90 91 3.8-7.7 2.9/10462=40...(16) HG2 GLU 35 + HB2 LEU 38 OK 46 94 55 89 3.8-8.8 2.9/10462=40...(16) HB2 GLU 63 - HB2 LEU 38 far 0 93 0 - 6.9-8.8 HG2 GLU 43 - HB2 LEU 38 far 0 99 0 - 8.3-9.9 Violated in 6 structures by 0.14 A. Peak 12065 from cnoeabs.peaks (6.83, 0.86, 23.60 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: QD TYR 41 + QD1 LEU 38 OK 100 100 100 100 3.9-5.8 2.5/10549=73...(21) QE TYR 41 - QD1 LEU 38 far 13 85 15 - 4.9-7.2 HE21 GLN 72 - QD1 LEU 38 far 0 89 0 - 9.3-12.4 Violated in 8 structures by 0.18 A. Peak 12068 from cnoeabs.peaks (1.90, 0.86, 23.60 ppm; 3.81 A): 1 out of 10 assignments used, quality = 0.87: HG LEU 42 + QD1 LEU 38 OK 87 100 90 97 2.3-6.0 8921=55, 6675/8912=39...(22) HB3 LYS 39 - QD1 LEU 38 poor 15 61 25 - 3.0-7.4 HB ILE 8 - QD1 LEU 38 far 10 100 10 - 4.4-7.9 HB3 LYS 66 - QD1 LEU 38 far 3 59 5 - 4.1-6.9 HB VAL 54 - QD1 LEU 38 far 0 96 0 - 5.0-9.0 HB3 LYS 68 - QD1 LEU 38 far 0 79 0 - 6.2-8.6 HB2 LYS 33 - QD1 LEU 38 far 0 95 0 - 7.6-10.5 HB3 LYS 33 - QD1 LEU 38 far 0 96 0 - 7.6-10.6 HB VAL 5 - QD1 LEU 38 far 0 59 0 - 8.2-11.9 HB2 GLU 43 - QD1 LEU 38 far 0 100 0 - 8.6-11.1 Violated in 4 structures by 0.23 A. Peak 12069 from cnoeabs.peaks (1.90, 0.82, 25.50 ppm; 4.28 A): 4 out of 28 assignments used, quality = 0.92: HG LEU 42 + QD2 LEU 38 OK 64 100 65 98 4.1-6.2 12068/2.1=83...(18) HB ILE 8 + QD2 LEU 38 OK 59 100 80 74 4.3-6.1 10673/10674=16...(13) HB3 LYS 66 + QD1 LEU 70 OK 35 39 90 99 3.1-6.5 3.0/9517=72, 4.0/9506=43...(21) HB3 LYS 39 + QD1 LEU 70 OK 22 41 55 99 2.1-5.7 ~10822=40, 3.0/8952=35...(21) HB VAL 5 - QD2 LEU 57 poor 14 35 60 65 4.1-6.2 ~10695=21, ~10196=17...(10) HG LEU 42 - QD1 LEU 70 far 12 77 15 - 4.8-6.4 HB3 LYS 66 - QD2 LEU 38 poor 5 58 35 22 3.7-6.8 4.7/9519=11, 1.8/9514=4...(5) HB3 LYS 39 - QD2 LEU 38 far 3 61 5 - 4.5-7.5 HB VAL 54 - QD2 LEU 38 far 0 96 0 - 5.8-9.5 HB3 LYS 68 - QD1 LEU 70 far 0 54 0 - 6.2-9.1 HB ILE 8 - QD2 LEU 57 far 0 70 0 - 6.3-7.1 HB VAL 54 - QD2 LEU 57 far 0 64 0 - 6.7-7.8 HB3 LYS 33 - QD2 LEU 38 far 0 96 0 - 6.8-8.5 HB2 LYS 33 - QD2 LEU 38 far 0 94 0 - 7.0-8.3 HB3 LYS 68 - QD2 LEU 38 far 0 78 0 - 7.1-9.1 HB ILE 8 - QD1 LEU 70 far 0 77 0 - 7.3-11.0 HB3 ARG 19 - QD2 LEU 57 far 0 49 0 - 7.7-11.1 HB3 LEU 14 - QD2 LEU 57 far 0 71 0 - 7.8-9.6 HB VAL 5 - QD2 LEU 38 far 0 58 0 - 7.9-12.1 HB3 LYS 68 - QD2 LEU 57 far 0 49 0 - 7.9-11.5 HB2 ARG 19 - QD2 LEU 57 far 0 69 0 - 8.0-11.1 HB2 LYS 94 - QD2 LEU 57 far 0 57 0 - 8.4-10.1 HB3 LYS 33 - QD1 LEU 70 far 0 71 0 - 8.5-11.8 HB VAL 54 - QD1 LEU 70 far 0 71 0 - 8.6-11.1 HB2 GLU 43 - QD1 LEU 70 far 0 76 0 - 8.6-11.1 HG LEU 42 - QD2 LEU 57 far 0 70 0 - 9.1-10.5 HB2 LYS 33 - QD1 LEU 70 far 0 69 0 - 9.1-12.2 HB3 LYS 20 - QD2 LEU 57 far 0 42 0 - 9.6-12.5 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 = 0.67: HG LEU 70 + QD1 LEU 38 OK 40 90 85 52 2.3-6.9 9539/1659=10, ~1639=8...(13) HB3 LEU 6 + QD1 LEU 38 OK 29 79 70 53 3.2-7.2 10231=17, 12071/2.1=13...(9) HB3 LEU 70 + QD1 LEU 38 OK 23 61 95 39 2.2-5.5 ~1639=6, ~1631=5...(13) HD3 LYS 39 - QD1 LEU 38 poor 13 65 20 - 3.7-8.6 HD2 LYS 39 - QD1 LEU 38 poor 7 88 25 32 3.9-8.1 6.0/1665=24...(4) HD3 LYS 66 - QD1 LEU 38 far 0 87 0 - 5.6-8.6 HB2 LYS 40 - QD1 LEU 38 far 0 75 0 - 5.9-7.1 HB ILE 76 - QD1 LEU 38 far 0 71 0 - 6.1-9.5 HB3 LYS 40 - QD1 LEU 38 far 0 100 0 - 6.3-8.3 HD3 LYS 73 - QD1 LEU 38 far 0 98 0 - 6.5-12.5 HG2 LYS 68 - QD1 LEU 38 far 0 67 0 - 6.6-9.4 HD2 LYS 73 - QD1 LEU 38 far 0 99 0 - 6.9-12.6 HD3 LYS 68 - QD1 LEU 38 far 0 84 0 - 7.4-10.0 HD2 LYS 68 - QD1 LEU 38 far 0 85 0 - 7.5-9.9 HB3 ARG 79 - QD1 LEU 38 far 0 88 0 - 8.3-12.1 HG12 ILE 15 - QD1 LEU 38 far 0 95 0 - 8.5-13.0 Violated in 0 structures by 0.00 A. Peak 12071 from cnoeabs.peaks (1.65, 0.82, 25.50 ppm; 4.26 A): 3 out of 31 assignments used, quality = 0.93: HD2 LYS 39 + QD1 LEU 70 OK 71 77 95 97 3.0-5.3 3.0/10569=30, ~10569=24...(22) HD3 LYS 39 + QD1 LEU 70 OK 51 75 70 97 3.3-5.7 3.0/10569=30, ~10569=24...(22) HB3 LEU 6 + QD2 LEU 38 OK 50 100 75 66 2.3-6.4 10672/10674=19...(9) HD2 LYS 73 - QD1 LEU 70 poor 17 69 25 - 3.6-8.6 HD3 LYS 73 - QD1 LEU 70 poor 14 71 20 - 4.7-8.4 HB3 LEU 6 - QD2 LEU 57 poor 13 71 35 52 4.4-6.6 8203/4.6=20...(8) HB3 ARG 79 - QD2 LEU 57 far 7 70 10 - 4.5-7.7 HD3 LYS 39 - QD2 LEU 38 far 0 99 0 - 5.7-9.1 HD2 LYS 39 - QD2 LEU 38 far 0 100 0 - 5.9-8.6 HB2 LYS 40 - QD2 LEU 38 far 0 100 0 - 6.3-7.7 HG2 LYS 68 - QD1 LEU 70 far 0 76 0 - 6.4-8.2 HB2 LYS 40 - QD1 LEU 70 far 0 77 0 - 6.5-8.5 HB3 LYS 40 - QD2 LEU 38 far 0 71 0 - 6.8-8.2 HB3 LEU 6 - QD1 LEU 70 far 0 77 0 - 7.0-10.8 HG2 LYS 68 - QD2 LEU 38 far 0 99 0 - 7.1-9.7 HB3 LYS 40 - QD1 LEU 70 far 0 48 0 - 7.3-8.8 HB3 ARG 91 - QD2 LEU 57 far 0 44 0 - 7.3-9.1 HB ILE 76 - QD1 LEU 70 far 0 76 0 - 7.5-9.2 HD3 LYS 68 - QD1 LEU 70 far 0 78 0 - 7.5-10.2 HD2 LYS 68 - QD1 LEU 70 far 0 77 0 - 7.8-9.9 HD3 LYS 68 - QD2 LEU 38 far 0 100 0 - 7.8-10.5 HB ILE 76 - QD2 LEU 38 far 0 99 0 - 8.2-10.4 HG2 LYS 68 - QD2 LEU 57 far 0 69 0 - 8.3-11.2 HD3 LYS 73 - QD2 LEU 38 far 0 96 0 - 8.4-12.3 HD2 LYS 68 - QD2 LEU 38 far 0 100 0 - 8.4-10.5 HD3 LYS 68 - QD2 LEU 57 far 0 71 0 - 8.6-12.3 HB3 LYS 53 - QD2 LEU 57 far 0 40 0 - 8.6-9.7 HD2 LYS 73 - QD2 LEU 38 far 0 94 0 - 8.7-12.1 HB3 ARG 79 - QD2 LEU 38 far 0 100 0 - 8.7-12.1 HD2 LYS 68 - QD2 LEU 57 far 0 71 0 - 9.9-13.0 HD2 LYS 94 - QD2 LEU 57 far 0 52 0 - 9.9-11.9 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 1.9-3.8 9605/10570=74...(21) HB2 GLU 35 - HG2 LYS 39 far 0 100 0 - 6.2-9.2 HB2 GLU 37 - HG2 LYS 39 far 0 71 0 - 7.8-9.5 HB2 ARG 46 - HG2 LYS 39 far 0 65 0 - 7.8-12.1 HB2 GLU 44 - HG2 LYS 39 far 0 98 0 - 9.0-11.3 QE MET 74 - HG3 LYS 68 far 0 64 0 - 9.7-12.2 HB2 GLU 62 - HG3 LYS 68 far 0 66 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 12073 from cnoeabs.peaks (1.99, 1.44, 25.60 ppm; 3.85 A): 1 out of 9 assignments used, quality = 0.97: QE MET 74 + HG3 LYS 39 OK 97 98 100 100 2.3-4.7 9602=66, 9609/3.9=45...(24) HB3 MET 74 - HG3 LYS 39 far 0 84 0 - 4.9-8.0 HB2 LYS 73 - HG3 LYS 39 far 0 75 0 - 5.0-9.0 HB2 GLU 35 - HG3 LYS 39 far 0 93 0 - 5.3-8.6 HB3 LYS 73 - HG3 LYS 39 far 0 73 0 - 5.4-9.0 HB2 GLU 37 - HG3 LYS 39 far 0 98 0 - 7.6-9.3 HB3 ARG 46 - HG3 LYS 39 far 0 79 0 - 8.4-12.3 HB2 GLU 44 - HG3 LYS 39 far 0 98 0 - 9.4-11.7 HB2 ARG 46 - HG3 LYS 39 far 0 97 0 - 9.4-12.6 Violated in 2 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 3.4-4.2 12076/1.8=92...(12) 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 3.0-4.0 2.2/8127=82...(10) 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 3.0-4.0 2.2/8127=82...(10) Violated in 0 structures by 0.00 A. Peak 12082 from cnoeabs.peaks (1.46, 0.69, 25.60 ppm; 3.66 A): 3 out of 24 assignments used, quality = 0.99: HG3 LYS 39 + QD1 LEU 42 OK 87 92 95 99 2.5-4.6 1.8/10570=81...(14) HG LEU 38 + QD1 LEU 42 OK 77 100 85 91 3.8-5.3 ~12068=38, ~8921=24...(20) HB2 LEU 38 + QD1 LEU 42 OK 75 100 80 94 2.5-4.8 ~12068=28, 1633/8947=28...(22) HG13 ILE 76 - QD1 LEU 42 far 0 86 0 - 4.8-6.8 HG12 ILE 7 - QD1 LEU 14 far 0 57 0 - 4.9-5.8 HG2 LYS 73 - QD1 LEU 42 far 0 73 0 - 5.3-7.7 HG2 LYS 13 - QD1 LEU 14 far 0 68 0 - 6.7-7.6 HG3 LYS 13 - QD1 LEU 14 far 0 55 0 - 6.8-7.7 HD2 LYS 82 - QD1 LEU 14 far 0 94 0 - 7.1-8.8 HG3 LYS 66 - QD1 LEU 42 far 0 71 0 - 7.8-9.5 HG3 ARG 91 - QD1 LEU 14 far 0 92 0 - 7.9-11.6 HG2 LYS 66 - QD1 LEU 42 far 0 75 0 - 8.0-9.7 HB2 ARG 91 - QD1 LEU 14 far 0 74 0 - 8.0-10.6 HD3 LYS 40 - QD1 LEU 42 far 0 100 0 - 8.1-9.5 HG13 ILE 52 - QD1 LEU 42 far 0 100 0 - 8.1-10.6 HD2 LYS 40 - QD1 LEU 42 far 0 100 0 - 8.3-9.4 HG2 LYS 12 - QD1 LEU 14 far 0 88 0 - 8.6-9.6 QB ALA 22 - QD1 LEU 14 far 0 76 0 - 8.9-10.2 HG LEU 29 - QD1 LEU 14 far 0 76 0 - 9.2-10.6 HG2 LYS 47 - QD1 LEU 42 far 0 75 0 - 9.4-11.9 HB3 LEU 64 - QD1 LEU 14 far 0 68 0 - 9.4-10.5 HG2 LYS 20 - QD1 LEU 14 far 0 94 0 - 9.5-12.3 HG LEU 64 - QD1 LEU 42 far 0 91 0 - 9.6-11.0 HB3 LEU 64 - QD1 LEU 42 far 0 76 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 12083 from cnoeabs.peaks (1.46, 0.77, 21.90 ppm; 3.86 A): 1 out of 17 assignments used, quality = 0.68: HG13 ILE 76 + QD2 LEU 42 OK 68 86 80 99 3.5-5.6 1.8/10599=70, ~9667=43...(23) HB2 LEU 38 - QD2 LEU 42 far 15 99 15 - 4.4-6.6 HG3 LYS 39 - QD2 LEU 42 far 0 92 0 - 5.1-6.9 HG LEU 38 - QD2 LEU 42 far 0 100 0 - 5.3-7.1 HG13 ILE 52 - QD2 LEU 42 far 0 100 0 - 5.5-8.1 HG2 LYS 73 - QD2 LEU 42 far 0 72 0 - 6.6-9.3 HG2 LYS 53 - QD2 LEU 42 far 0 100 0 - 8.1-9.8 HG3 LYS 53 - QD2 LEU 42 far 0 99 0 - 8.1-10.1 HG2 LYS 47 - QD2 LEU 42 far 0 74 0 - 8.3-10.5 HD2 LYS 53 - QD2 LEU 42 far 0 100 0 - 8.7-11.5 HD3 LYS 40 - QD2 LEU 42 far 0 99 0 - 9.2-10.6 HG LEU 29 - QD2 LEU 42 far 0 84 0 - 9.5-11.3 HD2 LYS 40 - QD2 LEU 42 far 0 100 0 - 9.5-10.6 HG3 LYS 66 - QD2 LEU 42 far 0 70 0 - 9.8-11.5 HG2 LYS 66 - QD2 LEU 42 far 0 74 0 - 9.9-11.5 HG LEU 64 - QD2 LEU 42 far 0 91 0 - 9.9-11.4 QB ALA 22 - QD2 LEU 42 far 0 84 0 - 10.0-11.5 Violated in 19 structures by 0.63 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 3.1-5.1 1.8/10171=96, 10170=83...(15) HD2 ARG 46 - HA LYS 40 far 0 96 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 12085 from cnoeabs.peaks (3.19, 3.88, 59.10 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: HD3 ARG 46 + HA GLU 43 OK 100 100 100 100 2.1-4.3 10171=99, 1.8/10170=73...(14) HB3 TRP 92 - HA ARG 91 far 0 98 0 - 6.4-6.6 HD3 ARG 46 - HA LYS 40 far 0 87 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 12086 from cnoeabs.peaks (1.82, 3.88, 59.10 ppm; 3.85 A): 5 out of 14 assignments used, quality = 1.00: HB2 LEU 42 + HA GLU 43 OK 92 97 100 94 4.3-4.6 6687/2.9=45, ~6688=35...(14) HG2 ARG 46 + HA GLU 43 OK 73 100 75 98 2.0-5.6 3.0/10171=49, 10172=49...(15) HB3 LYS 90 + HA ARG 91 OK 67 94 75 96 4.1-5.6 7434/3.0=34, 3.0/9956=32...(19) HG3 ARG 46 + HA GLU 43 OK 62 71 90 97 2.0-5.1 3.0/10171=49...(14) HB2 LYS 90 + HA ARG 91 OK 56 97 60 96 3.9-5.6 7433/3.0=37, 3.0/9956=32...(20) HB2 LYS 39 - HA GLU 35 poor 18 82 25 88 4.4-6.0 10537/4.9=32...(13) HB2 LYS 39 - HA LYS 40 poor 15 73 20 - 4.5-5.5 HB ILE 93 - HA ARG 91 far 0 91 0 - 4.8-6.0 HB2 LEU 42 - HA LYS 40 far 0 82 0 - 4.9-5.3 HG2 ARG 46 - HA LYS 40 far 0 86 0 - 7.4-11.4 HB2 LYS 39 - HA GLU 43 far 0 89 0 - 7.5-8.9 HG3 ARG 46 - HA LYS 40 far 0 56 0 - 7.7-10.7 HB2 GLU 88 - HA ARG 91 far 0 96 0 - 7.7-8.3 HB2 LEU 42 - HA GLU 35 far 0 92 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 12087 from cnoeabs.peaks (1.79, 3.88, 59.10 ppm; 3.80 A): 5 out of 17 assignments used, quality = 1.00: HB2 LEU 42 + HA GLU 43 OK 88 95 100 94 4.3-4.6 6687/2.9=43, ~6688=34...(15) HG3 ARG 46 + HA GLU 43 OK 83 100 85 98 2.0-5.1 3.0/10171=48...(15) HB2 LYS 90 + HA ARG 91 OK 49 86 60 95 3.9-5.6 7433/3.0=33, 3.0/9956=31...(20) HG2 ARG 46 + HA GLU 43 OK 45 67 70 96 2.0-5.6 3.0/10171=48...(14) HB2 LYS 39 + HA GLU 35 OK 21 94 25 88 4.4-6.0 10537/4.9=33...(13) HB2 LYS 66 - HA GLU 35 poor 19 80 40 61 3.7-6.7 ~10434=12, 2884=8...(15) HB2 LYS 39 - HA LYS 40 poor 17 85 20 - 4.5-5.5 HB ILE 93 - HA ARG 91 far 0 95 0 - 4.8-6.0 HB2 LEU 42 - HA LYS 40 far 0 78 0 - 4.9-5.3 HG2 ARG 46 - HA LYS 40 far 0 52 0 - 7.4-11.4 HB2 LYS 39 - HA GLU 43 far 0 99 0 - 7.5-8.9 HG3 ARG 46 - HA LYS 40 far 0 87 0 - 7.7-10.7 HB2 GLU 88 - HA ARG 91 far 0 89 0 - 7.7-8.3 HB3 GLU 63 - HA GLU 35 far 0 92 0 - 7.8-10.3 HB2 LEU 42 - HA GLU 35 far 0 88 0 - 8.0-9.5 HB ILE 56 - HA GLU 35 far 0 75 0 - 9.1-10.8 HB VAL 78 - HA GLU 43 far 0 99 0 - 9.8-11.5 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 5 assignments used, quality = 0.58: HG2 LYS 47 + HA GLU 44 OK 58 90 65 100 2.2-6.1 1.8/12089=70...(20) HD2 LYS 40 - HA GLU 44 far 0 70 0 - 7.7-10.4 HG13 ILE 52 - HA GLU 44 far 0 58 0 - 8.5-10.0 HD3 LYS 40 - HA GLU 44 far 0 71 0 - 8.9-10.5 HG LEU 2 - HA GLU 44 far 0 71 0 - 9.5-11.0 Violated in 10 structures by 0.64 A. Peak 12089 from cnoeabs.peaks (1.62, 3.92, 58.90 ppm; 4.34 A): 1 out of 3 assignments used, quality = 0.90: HG3 LYS 47 + HA GLU 44 OK 90 90 100 100 2.8-4.9 1.8/12088=83, 10615=65...(21) HB2 LYS 40 - HA GLU 44 far 0 70 0 - 8.5-9.7 HB ILE 76 - HA GLU 44 far 0 73 0 - 9.7-10.6 Violated in 5 structures by 0.06 A. Peak 12090 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.85: HD3 LYS 47 + HA GLU 44 OK 67 90 75 99 2.0-5.9 3.0/12088=55...(21) HD2 LYS 47 + HA GLU 44 OK 53 90 60 99 2.4-6.4 3.0/12088=55...(22) HB3 LYS 40 - HA GLU 44 far 0 90 0 - 8.2-9.4 HB2 LYS 40 - HA GLU 44 far 0 57 0 - 8.5-9.7 HB ILE 52 - HA GLU 44 far 0 87 0 - 9.0-10.4 HB ILE 76 - HA GLU 44 far 0 53 0 - 9.7-10.6 Violated in 5 structures by 0.24 A. Peak 12091 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.85: HD3 LYS 47 + HA GLU 44 OK 67 90 75 99 2.0-5.9 3.0/12088=55...(21) HD2 LYS 47 + HA GLU 44 OK 53 90 60 99 2.4-6.4 3.0/12088=55...(22) HB3 LYS 40 - HA GLU 44 far 0 90 0 - 8.2-9.4 HB2 LYS 40 - HA GLU 44 far 0 57 0 - 8.5-9.7 HB ILE 52 - HA GLU 44 far 0 87 0 - 9.0-10.4 HB ILE 76 - HA GLU 44 far 0 53 0 - 9.7-10.6 Violated in 5 structures by 0.24 A. Peak 12097 from cnoeabs.peaks (1.53, 6.14, 127.50 ppm; 6.50 A): 2 out of 8 assignments used, quality = 1.00: HG3 ARG 30 + HZ PHE 45 OK 100 100 100 100 2.8-6.4 1.8/8701=97, 3.0/8707=90...(7) HG LEU 6 + HZ PHE 45 OK 100 100 100 100 3.0-4.8 2.1/8214=100...(15) HG12 ILE 56 - HZ PHE 45 poor 20 100 20 - 5.7-10.4 HB3 GLU 28 - HZ PHE 45 poor 17 71 95 25 5.7-7.6 8146/8127=15, 8143/14691=9 HG LEU 2 - HZ PHE 45 far 0 96 0 - 8.0-10.3 HB2 LEU 3 - HZ PHE 45 far 0 88 0 - 8.7-10.3 HG2 LYS 47 - HZ PHE 45 far 0 59 0 - 9.2-11.8 HB ILE 7 - HZ PHE 45 far 0 99 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 12098 from cnoeabs.peaks (0.88, 2.98, 36.70 ppm; 5.53 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 76 + HB2 PHE 45 OK 100 100 100 100 2.3-3.4 9632/2.5=78...(21) QG2 ILE 76 + HB3 PHE 45 OK 94 94 100 100 2.0-4.3 9632/2.5=78...(20) QD1 LEU 2 + HB3 PHE 45 OK 21 94 50 44 4.9-8.1 12039/9169=22...(3) QD1 LEU 2 - HB2 PHE 45 far 15 100 15 - 6.3-9.4 QD1 LEU 38 - HB2 PHE 45 far 0 91 0 - 6.7-10.2 QD1 LEU 38 - HB3 PHE 45 far 0 83 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 12099 from cnoeabs.peaks (0.88, 2.97, 36.70 ppm; 5.56 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 76 + HB3 PHE 45 OK 100 100 100 100 2.0-4.3 9632/2.5=79...(20) QG2 ILE 76 + HB2 PHE 45 OK 94 94 100 100 2.3-3.4 9632/2.5=79...(21) QD1 LEU 2 + HB3 PHE 45 OK 25 100 50 50 4.9-8.1 12039/9169=29...(3) QD1 LEU 2 - HB2 PHE 45 poor 19 94 20 - 6.3-9.4 QD1 LEU 38 - HB2 PHE 45 far 0 83 0 - 6.7-10.2 QD1 LEU 38 - HB3 PHE 45 far 0 91 0 - 7.5-11.2 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 14 assignments used, quality = 0.75: HA GLU 44 + HE2 LYS 47 OK 52 95 55 99 3.1-7.0 12088/3.8=54...(18) HA GLU 44 + HE3 LYS 47 OK 47 95 50 99 2.0-7.7 12088/3.8=54...(18) HA GLU 43 - HE3 LYS 47 far 3 61 5 - 5.0-10.3 HA GLU 43 - HE2 LYS 47 far 0 61 0 - 6.3-10.4 HA TYR 41 - HE3 LYS 47 far 0 99 0 - 7.3-13.1 HA TYR 41 - HE2 LYS 47 far 0 99 0 - 7.9-12.4 HB2 SER 97 - HE2 LYS 24 far 0 75 0 - 8.4-13.2 HB3 SER 9 - HE3 LYS 12 far 0 99 0 - 8.9-12.5 HA GLU 35 - HE2 LYS 73 far 0 52 0 - 9.0-14.0 HA GLU 43 - HE2 LYS 73 far 0 46 0 - 9.1-14.8 HA GLU 35 - HE3 LYS 73 far 0 44 0 - 9.5-15.0 HB3 SER 9 - HE2 LYS 13 far 0 97 0 - 9.7-13.8 HB3 SER 9 - HE3 LYS 13 far 0 95 0 - 9.7-13.3 HA GLU 43 - HE3 LYS 73 far 0 38 0 - 9.8-15.0 Violated in 13 structures by 0.44 A. Peak 12106 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 4.23 A): 2 out of 14 assignments used, quality = 0.75: HA GLU 44 + HE2 LYS 47 OK 52 95 55 99 3.1-7.0 12088/3.8=54...(18) HA GLU 44 + HE3 LYS 47 OK 47 95 50 99 2.0-7.7 12088/3.8=54...(18) HA GLU 43 - HE3 LYS 47 far 3 61 5 - 5.0-10.3 HA GLU 43 - HE2 LYS 47 far 0 61 0 - 6.3-10.4 HA TYR 41 - HE3 LYS 47 far 0 99 0 - 7.3-13.1 HA TYR 41 - HE2 LYS 47 far 0 99 0 - 7.9-12.4 HB2 SER 97 - HE2 LYS 24 far 0 75 0 - 8.4-13.2 HB3 SER 9 - HE3 LYS 12 far 0 99 0 - 8.9-12.5 HA GLU 35 - HE2 LYS 73 far 0 52 0 - 9.0-14.0 HA GLU 43 - HE2 LYS 73 far 0 46 0 - 9.1-14.8 HA GLU 35 - HE3 LYS 73 far 0 44 0 - 9.5-15.0 HB3 SER 9 - HE2 LYS 13 far 0 97 0 - 9.7-13.8 HB3 SER 9 - HE3 LYS 13 far 0 95 0 - 9.7-13.3 HA GLU 43 - HE3 LYS 73 far 0 38 0 - 9.8-15.0 Violated in 13 structures by 0.44 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 3.0-4.1 9295/3.2=89...(19) H LEU 55 + QG2 VAL 78 OK 56 70 95 85 4.2-6.8 4.5/12126=35...(12) H ALA 18 - QG1 VAL 5 far 0 76 0 - 6.4-7.7 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 2.5-3.5 9295/3.2=83...(17) H ALA 18 - QG2 VAL 5 far 0 84 0 - 8.1-9.0 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 1.9-3.9 9053/2.1=98, 3.0/9066=97...(27) HB THR 31 + QG2 ILE 8 OK 53 66 100 81 5.8-6.9 8337/4.1=67...(3) 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 6 assignments used, quality = 1.00: QE MET 1 + HD2 LYS 53 OK 100 100 100 100 1.9-5.0 8027/1.8=93...(23) HG3 GLU 88 - HB2 ARG 91 far 5 33 15 - 4.7-7.9 HB2 MET 1 - HD2 LYS 53 far 0 59 0 - 5.9-10.1 HB3 MET 1 - HD2 LYS 53 far 0 89 0 - 5.9-10.0 HB2 GLU 17 - HB2 ARG 91 far 0 31 0 - 7.4-10.9 HB3 GLU 17 - HB2 ARG 91 far 0 47 0 - 8.4-12.0 Violated in 1 structures by 0.01 A. Peak 12115 from cnoeabs.peaks (1.98, 1.55, 29.40 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: QE MET 1 + HD3 LYS 53 OK 100 100 100 100 2.0-4.8 12114/1.8=91, 8027=85...(22) HB3 MET 1 - HD3 LYS 53 far 9 89 10 - 6.0-10.1 HB2 MET 1 - HD3 LYS 53 far 6 59 10 - 5.4-9.7 Violated in 0 structures by 0.00 A. Peak 12116 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 3.72 A): 2 out of 13 assignments used, quality = 1.00: QE MET 1 + HE2 LYS 53 OK 97 100 100 97 2.0-4.3 8029=53, 8027/3.0=50...(13) QE MET 1 + HE3 LYS 53 OK 92 100 95 97 1.9-4.8 8027/3.0=50, 8029=47...(13) HB3 GLU 17 - HE2 LYS 90 poor 19 65 30 - 3.0-6.9 HB2 GLU 17 - HE2 LYS 90 poor 19 44 60 72 2.2-5.6 ~11024=27, 12027/3.8=15...(15) HB2 MET 1 - HE2 LYS 53 far 0 59 0 - 6.7-8.9 HB2 MET 1 - HE3 LYS 53 far 0 59 0 - 6.7-9.6 HB3 MET 1 - HE2 LYS 53 far 0 90 0 - 6.7-9.1 HB3 MET 1 - HE3 LYS 53 far 0 89 0 - 6.8-9.7 HG3 GLU 88 - HE2 LYS 90 far 0 47 0 - 7.1-9.7 HB2 GLU 62 - HE3 LYS 82 far 0 26 0 - 7.3-11.0 HG3 GLU 88 - HE3 LYS 82 far 0 25 0 - 7.4-11.6 HB3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.6-12.9 HB2 LYS 24 - HE2 LYS 90 far 0 75 0 - 9.4-12.6 Violated in 2 structures by 0.01 A. Peak 12117 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 3.72 A): 2 out of 13 assignments used, quality = 1.00: QE MET 1 + HE2 LYS 53 OK 97 100 100 97 2.0-4.3 8029=53, 8027/3.0=50...(13) QE MET 1 + HE3 LYS 53 OK 92 100 95 97 1.9-4.8 8027/3.0=50, 8029=47...(13) HB3 GLU 17 - HE2 LYS 90 poor 19 65 30 - 3.0-6.9 HB2 GLU 17 - HE2 LYS 90 poor 19 44 60 72 2.2-5.6 ~11024=27, 12027/3.8=15...(15) HB2 MET 1 - HE2 LYS 53 far 0 59 0 - 6.7-8.9 HB2 MET 1 - HE3 LYS 53 far 0 59 0 - 6.7-9.6 HB3 MET 1 - HE2 LYS 53 far 0 90 0 - 6.7-9.1 HB3 MET 1 - HE3 LYS 53 far 0 89 0 - 6.8-9.7 HG3 GLU 88 - HE2 LYS 90 far 0 47 0 - 7.1-9.7 HB2 GLU 62 - HE3 LYS 82 far 0 26 0 - 7.3-11.0 HG3 GLU 88 - HE3 LYS 82 far 0 25 0 - 7.4-11.6 HB3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.6-12.9 HB2 LYS 24 - HE2 LYS 90 far 0 75 0 - 9.4-12.6 Violated in 2 structures by 0.01 A. Peak 12119 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.11 A): 7 out of 20 assignments used, quality = 1.00: HA3 GLY 101 + HE2 LYS 53 OK 97 100 100 97 2.0-6.7 12004=51, 12004/1.8=41...(16) HA3 GLY 101 + HE3 LYS 53 OK 92 100 95 96 2.0-7.6 12004=48, 12004/1.8=43...(16) HA2 GLY 101 + HE2 LYS 53 OK 77 85 95 95 2.5-7.5 1.8/12004=43, ~12004=33...(16) HA2 GLY 101 + HE3 LYS 53 OK 76 85 95 94 2.3-8.6 1.8/12004=41, ~12004=35...(16) HA2 GLY 100 + HE2 LYS 53 OK 58 85 90 75 4.0-8.3 10107/9197=23...(8) HA ARG 91 + HE2 LYS 90 OK 55 85 65 99 5.0-8.5 ~7437=68, ~3978=59...(17) HA2 GLY 100 + HE3 LYS 53 OK 53 85 90 69 4.2-7.3 10107/9197=23...(7) HB2 SER 102 - HE2 LYS 53 poor 20 100 20 - 3.3-10.8 HA ALA 89 - HE2 LYS 90 far 8 82 10 - 4.5-8.7 HB2 SER 85 - HE2 LYS 90 far 4 81 5 - 6.8-9.7 HB2 SER 102 - HE3 LYS 53 lone 2 100 30 7 4.1-11.0 4.0/3990=4 HA GLU 63 - HE3 LYS 82 far 0 38 0 - 7.5-10.8 HB3 SER 9 - HE2 LYS 90 far 0 51 0 - 8.1-14.9 HB2 SER 85 - HE3 LYS 82 far 0 45 0 - 8.6-13.0 HA LYS 94 - HE2 LYS 90 far 0 66 0 - 9.2-12.4 HA ALA 89 - HE3 LYS 82 far 0 46 0 - 9.4-12.5 HB3 SER 9 - HE3 LYS 82 far 0 26 0 - 9.5-12.8 HA LYS 12 - HE2 LYS 90 far 0 49 0 - 9.7-15.2 HB3 SER 49 - HE2 LYS 53 far 0 70 0 - 9.8-14.1 HB3 SER 49 - HE3 LYS 53 far 0 69 0 - 10.0-14.6 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 20 assignments used, quality = 1.00: HA3 GLY 101 + HE2 LYS 53 OK 97 100 100 97 2.0-6.7 12004=51, 12004/1.8=41...(16) HA3 GLY 101 + HE3 LYS 53 OK 92 100 95 96 2.0-7.6 12004=48, 12004/1.8=43...(16) HA2 GLY 101 + HE2 LYS 53 OK 77 85 95 95 2.5-7.5 1.8/12004=43, ~12004=33...(16) HA2 GLY 101 + HE3 LYS 53 OK 76 85 95 94 2.3-8.6 1.8/12004=41, ~12004=35...(16) HA2 GLY 100 + HE2 LYS 53 OK 58 85 90 75 4.0-8.3 10107/9197=23...(8) HA ARG 91 + HE2 LYS 90 OK 55 85 65 99 5.0-8.5 ~7437=68, ~3978=59...(17) HA2 GLY 100 + HE3 LYS 53 OK 53 85 90 69 4.2-7.3 10107/9197=23...(7) HB2 SER 102 - HE2 LYS 53 poor 20 100 20 - 3.3-10.8 HA ALA 89 - HE2 LYS 90 far 8 82 10 - 4.5-8.7 HB2 SER 85 - HE2 LYS 90 far 4 81 5 - 6.8-9.7 HB2 SER 102 - HE3 LYS 53 lone 2 100 30 7 4.1-11.0 4.0/3990=4 HA GLU 63 - HE3 LYS 82 far 0 38 0 - 7.5-10.8 HB3 SER 9 - HE2 LYS 90 far 0 51 0 - 8.1-14.9 HB2 SER 85 - HE3 LYS 82 far 0 45 0 - 8.6-13.0 HA LYS 94 - HE2 LYS 90 far 0 66 0 - 9.2-12.4 HA ALA 89 - HE3 LYS 82 far 0 46 0 - 9.4-12.5 HB3 SER 9 - HE3 LYS 82 far 0 26 0 - 9.5-12.8 HA LYS 12 - HE2 LYS 90 far 0 49 0 - 9.7-15.2 HB3 SER 49 - HE2 LYS 53 far 0 70 0 - 9.8-14.1 HB3 SER 49 - HE3 LYS 53 far 0 69 0 - 10.0-14.6 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 99 100 100 99 3.7-5.6 9673/3.9=60, 9674=52...(13) HB2 ASP 77 + HG3 LYS 53 OK 53 99 55 99 3.2-7.2 9673/3.9=60...(13) HD3 ARG 19 - HG2 LYS 20 poor 18 66 50 56 3.5-7.1 6304/6309=21, 8523=18...(6) HD2 ARG 19 - HG2 LYS 20 poor 16 66 25 - 4.4-7.9 HD2 ARG 19 - HG2 LYS 12 far 0 58 0 - 6.4-9.4 HD3 ARG 19 - HG2 LYS 12 far 0 58 0 - 6.6-9.9 Violated in 3 structures by 0.04 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 3.7-6.3 9678/3.9=77, ~10892=57...(12) HB3 ASP 77 + HG3 LYS 53 OK 59 98 60 100 3.6-7.8 9678/3.9=77, ~10892=57...(11) 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 10 assignments used, quality = 0.99: HB2 ASP 77 + HG2 LYS 53 OK 98 99 100 99 3.7-5.6 9673/3.9=61...(13) HB2 ASP 77 + HG3 LYS 53 OK 59 100 60 99 3.2-7.2 9673/3.9=61...(13) HD3 ARG 19 - HG2 LYS 20 poor 17 58 55 52 3.5-7.1 6304/6309=21, 8523=15...(6) HD2 ARG 19 - HG2 LYS 20 poor 14 58 25 - 4.4-7.9 HD3 ARG 46 - HG2 LYS 47 far 4 72 5 - 5.4-10.1 HD2 ARG 19 - HG2 LYS 12 far 0 42 0 - 6.4-9.4 HD3 ARG 19 - HG2 LYS 12 far 0 42 0 - 6.6-9.9 HD3 ARG 46 - HG2 LYS 73 far 0 70 0 - 6.8-12.2 HD2 ARG 19 - HG3 LYS 13 far 0 38 0 - 9.3-12.0 HD3 ARG 19 - HG3 LYS 13 far 0 38 0 - 9.3-13.0 Violated in 2 structures by 0.03 A. Peak 12125 from cnoeabs.peaks (2.63, 1.47, 25.00 ppm; 6.36 A): 3 out of 6 assignments used, quality = 1.00: HB3 ASP 77 + HG2 LYS 53 OK 99 99 100 100 3.7-6.3 9678/3.9=89, ~10892=70...(12) HB3 ASP 77 + HG3 LYS 53 OK 90 100 90 100 3.6-7.8 9678/3.9=89, ~10892=70...(12) HG3 MET 74 + HG2 LYS 73 OK 68 77 90 99 3.3-7.7 7229/7219=72...(9) HB3 TYR 41 - HG2 LYS 47 far 0 79 0 - 8.8-12.6 HB3 ASP 65 - HG2 LYS 73 far 0 75 0 - 9.2-12.9 HG3 MET 74 - HG2 LYS 47 far 0 79 0 - 9.8-14.6 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 14 assignments used, quality = 0.96: QG2 VAL 78 + HB VAL 54 OK 88 98 95 95 2.1-4.5 2.1/10349=39...(17) QG1 VAL 78 + HB VAL 54 OK 60 66 100 91 1.9-3.6 2.1/10349=39...(14) QD1 ILE 56 + HB VAL 54 OK 20 100 40 50 3.2-4.7 2.1/10678=20, 323=15...(7) HG13 ILE 56 - HB VAL 54 far 15 99 15 - 3.4-5.6 QD2 LEU 6 - HB VAL 54 far 0 86 0 - 5.0-7.2 QD1 LEU 42 - HB VAL 54 far 0 88 0 - 5.1-6.6 QD1 ILE 52 - HB VAL 54 far 0 95 0 - 5.4-7.0 QG1 VAL 5 - HB VAL 54 far 0 95 0 - 6.2-7.0 QD1 ILE 8 - HB VAL 54 far 0 100 0 - 7.4-9.3 QD2 LEU 27 - HB VAL 54 far 0 92 0 - 8.7-9.9 QG1 VAL 58 - HB VAL 54 far 0 98 0 - 8.8-9.5 QD1 LEU 64 - HB VAL 54 far 0 74 0 - 9.0-10.1 HG3 ARG 81 - HB VAL 54 far 0 78 0 - 9.5-12.1 QG2 VAL 58 - HB VAL 54 far 0 66 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 12127 from cnoeabs.peaks (5.11, 0.76, 21.40 ppm; 4.07 A): 2 out of 8 assignments used, quality = 0.99: HA VAL 5 + QG1 VAL 54 OK 97 100 100 97 2.3-3.2 9295/4.1=51...(17) HA TYR 4 + QG1 VAL 54 OK 71 71 100 100 3.9-4.9 3.0/8133=46, 3.0/9246=41...(20) HA VAL 5 - QG1 VAL 78 far 0 84 0 - 5.1-7.9 HA LEU 3 - QG1 VAL 54 far 0 94 0 - 5.3-6.5 HA ILE 7 - QG1 VAL 54 far 0 91 0 - 6.4-7.3 HA TYR 4 - QG1 VAL 78 far 0 53 0 - 7.3-9.3 HA LEU 3 - QG1 VAL 78 far 0 74 0 - 7.4-8.8 HA ILE 7 - QG1 VAL 78 far 0 71 0 - 7.7-10.8 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 = 0.99: HA VAL 5 + QG2 VAL 54 OK 86 100 90 96 4.4-5.4 9295/6904=61...(10) HA LEU 3 + QG2 VAL 54 OK 74 93 100 79 3.8-5.2 3.6/9227=53...(10) HA TYR 4 + QG2 VAL 54 OK 67 70 95 100 4.4-5.3 3.0/9239=71, 3.0/9238=64...(20) HA ILE 7 - QG2 VAL 54 far 0 90 0 - 9.0-9.9 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 = 0.95: QG2 VAL 83 + HA LEU 57 OK 68 69 100 100 3.7-4.3 2.1/9797=62, 9819/2.9=47...(16) HB2 ARG 81 + HA LEU 57 OK 64 100 70 92 3.5-6.0 4.0/11122=58...(7) HG LEU 55 + HA LEU 57 OK 58 67 100 88 4.3-5.0 ~9349=32, ~9281=28...(13) HG13 ILE 7 - HA LEU 57 far 0 63 0 - 5.6-6.5 QG2 VAL 5 - HA LEU 57 far 0 94 0 - 6.8-8.3 QG1 VAL 32 - HA LEU 57 far 0 87 0 - 8.2-9.1 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 = 0.99: HB3 ARG 81 + HA LEU 57 OK 98 100 100 98 3.5-4.7 7316/11122=76, 12209=49...(9) HG2 LYS 82 + HA LEU 57 OK 48 100 50 97 5.6-6.7 9760/10705=62...(6) HB3 LEU 55 - HA LEU 57 far 0 72 0 - 6.5-7.3 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 5 assignments used, quality = 0.99: HG13 ILE 7 + HB3 LEU 57 OK 99 99 100 100 3.3-4.5 8285=100, 2.1/8287=87...(26) HG13 ILE 8 - HB3 LEU 57 far 10 99 10 - 5.5-8.0 QD1 LEU 38 - HB3 LEU 57 far 0 76 0 - 6.7-10.6 QG1 VAL 32 - HB3 LEU 57 far 0 94 0 - 7.8-8.7 QD2 LEU 64 - HB3 LEU 57 far 0 79 0 - 8.8-9.7 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 8 assignments used, quality = 0.99: HG12 ILE 7 + HB3 LEU 57 OK 99 99 100 100 1.9-2.8 8284=98, 2.1/8287=85...(27) HG LEU 29 - HB3 LEU 57 far 0 95 0 - 6.3-7.3 QB ALA 22 - HB3 LEU 57 far 0 95 0 - 7.7-8.7 HB2 LEU 38 - HB3 LEU 57 far 0 66 0 - 9.1-12.7 HG LEU 38 - HB3 LEU 57 far 0 58 0 - 9.2-12.6 HG3 ARG 91 - HB3 LEU 57 far 0 72 0 - 9.2-12.9 HD2 LYS 82 - HB3 LEU 57 far 0 58 0 - 9.8-11.0 QB ALA 71 - HB3 LEU 57 far 0 98 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 12135 from cnoeabs.peaks (1.34, 1.82, 42.40 ppm; 5.33 A): 2 out of 6 assignments used, quality = 0.99: QB ALA 89 + HB3 LEU 57 OK 99 100 100 99 3.3-4.9 ~10698=48, 9821/10215=47...(17) HG12 ILE 8 + HB3 LEU 57 OK 46 88 55 94 5.5-7.2 6096/8289=70...(9) HG LEU 14 - HB3 LEU 57 far 15 98 15 - 5.6-7.8 QB ALA 67 - HB3 LEU 57 far 0 99 0 - 6.9-7.5 HB2 LYS 82 - HB3 LEU 57 far 0 100 0 - 8.0-9.0 HB3 ARG 30 - HB3 LEU 57 far 0 76 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 12145 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.88 A): 3 out of 56 assignments used, quality = 0.94: HB2 GLU 16 + HD2 LYS 20 OK 72 98 85 86 2.3-6.3 12058=30, 10462/2.8=23...(23) HB2 GLU 16 + HD3 LYS 20 OK 63 97 75 86 2.2-7.5 12058=26, 12058/1.8=25...(23) HB3 GLU 88 + HB3 ARG 91 OK 43 100 45 95 4.4-6.6 3.0/3871=45...(17) HB3 PRO 86 - HD3 LYS 90 poor 14 68 20 - 2.9-8.2 HB2 PRO 86 - HD3 LYS 90 far 7 44 15 - 4.4-8.5 HB2 MET 21 - HD3 LYS 90 far 6 59 10 - 2.2-7.2 QE MET 21 - HD3 LYS 90 far 4 75 5 - 4.0-7.8 HB3 GLU 48 - HD3 LYS 47 far 4 71 5 - 4.6-9.0 HB2 GLU 16 - HD2 LYS 12 far 3 69 5 - 3.6-9.7 HB2 LEU 64 - HD3 LYS 68 far 3 29 10 - 4.2-8.0 HB2 GLU 16 - HD3 LYS 13 far 2 43 5 - 4.6-8.4 HB2 PRO 86 - HD2 LYS 13 far 1 22 5 - 4.6-9.1 HB3 GLU 35 - HD2 LYS 39 far 0 67 0 - 4.8-8.6 HB2 GLU 16 - HD2 LYS 13 far 0 46 0 - 5.1-9.2 HB3 GLU 48 - HD2 LYS 47 far 0 71 0 - 5.1-8.2 HB2 MET 74 - HD2 LYS 39 far 0 58 0 - 5.3-9.0 HB3 PRO 86 - HD2 LYS 13 far 0 35 0 - 5.3-8.8 HB2 GLU 16 - HD3 LYS 12 far 0 69 0 - 5.3-9.7 HB2 LEU 64 - HD2 LYS 68 far 0 31 0 - 5.4-8.5 HB3 GLU 43 - HD2 LYS 47 far 0 95 0 - 5.4-9.6 HB3 LEU 38 - HD2 LYS 39 far 0 65 0 - 5.6-8.4 HB3 GLU 43 - HD3 LYS 47 far 0 95 0 - 5.6-9.0 HB2 MET 21 - HD3 LYS 20 far 0 72 0 - 5.7-9.2 HB2 MET 21 - HD2 LYS 20 far 0 73 0 - 5.9-9.4 HB2 GLU 23 - HD3 LYS 20 far 0 97 0 - 6.1-9.3 QE MET 21 - HB3 ARG 91 far 0 94 0 - 6.1-7.7 HB2 GLU 23 - HD2 LYS 20 far 0 98 0 - 6.2-9.2 HB3 PRO 86 - HD3 LYS 13 far 0 33 0 - 6.6-9.7 HB3 GLU 43 - HD2 LYS 39 far 0 60 0 - 6.7-9.8 HB3 GLU 88 - HD3 LYS 90 far 0 85 0 - 6.8-9.3 QE MET 21 - HD3 LYS 20 far 0 89 0 - 6.8-8.9 HB VAL 83 - HB3 ARG 91 far 0 73 0 - 6.8-9.3 HB3 PRO 86 - HD3 LYS 20 far 0 82 0 - 6.8-11.3 HB2 GLU 16 - HG12 ILE 15 far 0 90 0 - 6.9-8.5 QE MET 21 - HD2 LYS 20 far 0 90 0 - 7.2-8.9 HB2 PRO 86 - HD3 LYS 20 far 0 55 0 - 7.3-11.9 HB3 PRO 86 - HD2 LYS 20 far 0 83 0 - 7.5-10.6 HB2 MET 21 - HB3 ARG 91 far 0 77 0 - 7.8-9.5 HB2 PRO 86 - HD2 LYS 20 far 0 56 0 - 7.8-11.0 HB2 GLU 16 - HD3 LYS 90 far 0 84 0 - 7.9-12.3 HB VAL 83 - HD3 LYS 90 far 0 56 0 - 7.9-9.6 HG3 GLU 104 - HD3 LYS 68 far 0 42 0 - 8.1-25.8 HB3 PRO 86 - HB3 ARG 91 far 0 86 0 - 8.1-10.5 HB2 PRO 86 - HB3 ARG 91 far 0 59 0 - 8.1-11.3 HG2 GLU 28 - HD2 LYS 47 far 0 95 0 - 8.4-16.8 HB2 PRO 86 - HG12 ILE 15 far 0 48 0 - 8.6-10.5 HG2 GLU 28 - HD3 LYS 47 far 0 95 0 - 8.7-16.9 HG3 GLU 37 - HD2 LYS 39 far 0 46 0 - 8.8-11.2 HB2 GLU 98 - HB3 ARG 91 far 0 65 0 - 9.0-11.7 HB3 PRO 86 - HG12 ILE 15 far 0 73 0 - 9.0-10.8 HB3 GLU 62 - HD3 LYS 68 far 0 47 0 - 9.3-13.6 HB3 GLU 62 - HD2 LYS 68 far 0 49 0 - 9.5-13.4 HG3 GLU 28 - HD2 LYS 47 far 0 95 0 - 9.5-17.4 HG3 GLU 104 - HD2 LYS 68 far 0 44 0 - 9.6-27.5 HG3 GLU 28 - HD3 LYS 47 far 0 95 0 - 9.7-17.4 HB2 PRO 86 - HD2 LYS 12 far 0 34 0 - 9.8-14.8 Violated in 2 structures by 0.09 A. Peak 12146 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.88 A): 3 out of 56 assignments used, quality = 0.94: HB2 GLU 16 + HD2 LYS 20 OK 72 98 85 86 2.3-6.3 12058=30, 10462/2.8=23...(23) HB2 GLU 16 + HD3 LYS 20 OK 63 97 75 86 2.2-7.5 12058=26, 12058/1.8=25...(23) HB3 GLU 88 + HB3 ARG 91 OK 43 100 45 95 4.4-6.6 3.0/3871=45...(17) HB3 PRO 86 - HD3 LYS 90 poor 14 68 20 - 2.9-8.2 HB2 PRO 86 - HD3 LYS 90 far 7 44 15 - 4.4-8.5 HB2 MET 21 - HD3 LYS 90 far 6 59 10 - 2.2-7.2 QE MET 21 - HD3 LYS 90 far 4 75 5 - 4.0-7.8 HB3 GLU 48 - HD3 LYS 47 far 4 71 5 - 4.6-9.0 HB2 GLU 16 - HD2 LYS 12 far 3 69 5 - 3.6-9.7 HB2 LEU 64 - HD3 LYS 68 far 3 29 10 - 4.2-8.0 HB2 GLU 16 - HD3 LYS 13 far 2 43 5 - 4.6-8.4 HB2 PRO 86 - HD2 LYS 13 far 1 22 5 - 4.6-9.1 HB3 GLU 35 - HD2 LYS 39 far 0 67 0 - 4.8-8.6 HB2 GLU 16 - HD2 LYS 13 far 0 46 0 - 5.1-9.2 HB3 GLU 48 - HD2 LYS 47 far 0 71 0 - 5.1-8.2 HB2 MET 74 - HD2 LYS 39 far 0 58 0 - 5.3-9.0 HB3 PRO 86 - HD2 LYS 13 far 0 35 0 - 5.3-8.8 HB2 GLU 16 - HD3 LYS 12 far 0 69 0 - 5.3-9.7 HB2 LEU 64 - HD2 LYS 68 far 0 31 0 - 5.4-8.5 HB3 GLU 43 - HD2 LYS 47 far 0 95 0 - 5.4-9.6 HB3 LEU 38 - HD2 LYS 39 far 0 65 0 - 5.6-8.4 HB3 GLU 43 - HD3 LYS 47 far 0 95 0 - 5.6-9.0 HB2 MET 21 - HD3 LYS 20 far 0 72 0 - 5.7-9.2 HB2 MET 21 - HD2 LYS 20 far 0 73 0 - 5.9-9.4 HB2 GLU 23 - HD3 LYS 20 far 0 97 0 - 6.1-9.3 QE MET 21 - HB3 ARG 91 far 0 94 0 - 6.1-7.7 HB2 GLU 23 - HD2 LYS 20 far 0 98 0 - 6.2-9.2 HB3 PRO 86 - HD3 LYS 13 far 0 33 0 - 6.6-9.7 HB3 GLU 43 - HD2 LYS 39 far 0 60 0 - 6.7-9.8 HB3 GLU 88 - HD3 LYS 90 far 0 85 0 - 6.8-9.3 QE MET 21 - HD3 LYS 20 far 0 89 0 - 6.8-8.9 HB VAL 83 - HB3 ARG 91 far 0 73 0 - 6.8-9.3 HB3 PRO 86 - HD3 LYS 20 far 0 82 0 - 6.8-11.3 HB2 GLU 16 - HG12 ILE 15 far 0 90 0 - 6.9-8.5 QE MET 21 - HD2 LYS 20 far 0 90 0 - 7.2-8.9 HB2 PRO 86 - HD3 LYS 20 far 0 55 0 - 7.3-11.9 HB3 PRO 86 - HD2 LYS 20 far 0 83 0 - 7.5-10.6 HB2 MET 21 - HB3 ARG 91 far 0 77 0 - 7.8-9.5 HB2 PRO 86 - HD2 LYS 20 far 0 56 0 - 7.8-11.0 HB2 GLU 16 - HD3 LYS 90 far 0 84 0 - 7.9-12.3 HB VAL 83 - HD3 LYS 90 far 0 56 0 - 7.9-9.6 HG3 GLU 104 - HD3 LYS 68 far 0 42 0 - 8.1-25.8 HB3 PRO 86 - HB3 ARG 91 far 0 86 0 - 8.1-10.5 HB2 PRO 86 - HB3 ARG 91 far 0 59 0 - 8.1-11.3 HG2 GLU 28 - HD2 LYS 47 far 0 95 0 - 8.4-16.8 HB2 PRO 86 - HG12 ILE 15 far 0 48 0 - 8.6-10.5 HG2 GLU 28 - HD3 LYS 47 far 0 95 0 - 8.7-16.9 HG3 GLU 37 - HD2 LYS 39 far 0 46 0 - 8.8-11.2 HB2 GLU 98 - HB3 ARG 91 far 0 65 0 - 9.0-11.7 HB3 PRO 86 - HG12 ILE 15 far 0 73 0 - 9.0-10.8 HB3 GLU 62 - HD3 LYS 68 far 0 47 0 - 9.3-13.6 HB3 GLU 62 - HD2 LYS 68 far 0 49 0 - 9.5-13.4 HG3 GLU 28 - HD2 LYS 47 far 0 95 0 - 9.5-17.4 HG3 GLU 104 - HD2 LYS 68 far 0 44 0 - 9.6-27.5 HG3 GLU 28 - HD3 LYS 47 far 0 95 0 - 9.7-17.4 HB2 PRO 86 - HD2 LYS 12 far 0 34 0 - 9.8-14.8 Violated in 2 structures by 0.09 A. Peak 12153 from cnoeabs.peaks (2.13, 2.90, 41.80 ppm; 4.70 A): 9 out of 54 assignments used, quality = 0.98: HG2 GLU 69 + HE2 LYS 68 OK 52 97 65 83 2.7-8.8 10799/3.6=24...(13) HG2 GLU 69 + HE3 LYS 68 OK 44 98 55 82 2.7-8.6 10799/3.6=24, ~12281=23...(11) QE MET 21 + HE3 LYS 94 OK 40 67 75 80 2.2-6.2 12251/3.0=27...(9) QE MET 21 + HE2 LYS 94 OK 36 54 85 79 2.0-6.3 12251/3.0=27...(9) HG2 GLU 69 + HE2 LYS 66 OK 30 99 35 85 4.3-8.4 10798/3.6=55...(10) HB2 GLU 69 + HE2 LYS 66 OK 27 99 35 76 4.9-7.0 3094/6.1=31...(10) HG2 GLU 69 + HE3 LYS 66 OK 25 100 30 85 3.8-8.1 10798/3.6=55...(10) HB2 GLU 69 + HE3 LYS 66 OK 23 100 30 76 3.8-7.7 3094/6.1=31...(10) HB3 GLU 16 + HE2 LYS 20 OK 20 60 40 84 2.9-7.7 1.8/10530=24, ~12146=22...(16) HB2 GLU 69 - HE2 LYS 68 poor 19 97 20 - 4.9-9.7 HB3 GLU 16 - HE3 LYS 20 poor 17 59 35 84 3.6-8.2 1.8/10530=24, ~12146=22...(16) HB3 GLU 23 - HE3 LYS 20 poor 16 79 20 - 4.0-8.7 HB3 GLU 69 - HE2 LYS 68 far 15 97 15 - 4.7-10.0 HB3 GLU 23 - HE2 LYS 20 far 12 81 15 - 4.7-8.9 HB3 GLU 69 - HE3 LYS 66 far 10 100 10 - 4.7-8.6 HB2 LEU 64 - HE3 LYS 68 far 9 91 10 - 4.8-9.3 HB2 LEU 64 - HE2 LYS 68 far 9 89 10 - 4.4-8.9 HB3 GLU 95 - HE3 LYS 94 far 7 74 10 - 4.2-10.1 HB2 GLU 69 - HE3 LYS 68 far 5 98 5 - 5.2-9.8 HB3 GLU 69 - HE3 LYS 68 far 5 98 5 - 5.3-10.0 HB2 GLN 72 - HE2 LYS 68 far 3 66 5 - 5.4-10.2 HB3 GLU 95 - HE2 LYS 94 far 3 60 5 - 4.5-9.5 HB3 GLU 69 - HE2 LYS 66 far 0 99 0 - 5.8-8.2 QE MET 21 - HE2 LYS 20 far 0 66 0 - 6.0-9.4 HB2 GLN 72 - HE3 LYS 68 far 0 68 0 - 6.2-10.2 HB3 PRO 86 - HE2 LYS 20 far 0 76 0 - 6.7-12.3 QE MET 21 - HE3 LYS 20 far 0 65 0 - 6.8-9.3 HB2 GLU 69 - HE2 LYS 39 far 0 60 0 - 6.8-12.7 HB2 GLU 69 - HE3 LYS 39 far 0 75 0 - 7.2-12.1 HB3 PRO 86 - HE3 LYS 20 far 0 75 0 - 7.2-12.2 HB3 GLU 69 - HE3 LYS 39 far 0 75 0 - 7.4-12.2 HB3 GLU 69 - HE2 LYS 39 far 0 60 0 - 7.7-13.0 HB2 PRO 86 - HE2 LYS 20 far 0 93 0 - 7.7-13.1 HG3 GLU 37 - HE3 LYS 39 far 0 63 0 - 7.8-11.7 HG3 GLU 37 - HE2 LYS 39 far 0 49 0 - 7.8-12.2 HB2 PRO 86 - HE3 LYS 20 far 0 91 0 - 8.0-12.8 HB2 LEU 64 - HE3 LYS 66 far 0 94 0 - 8.0-10.8 HB3 GLU 23 - HE2 LYS 94 far 0 67 0 - 8.3-15.3 HG3 GLU 104 - HE2 LYS 68 far 0 66 0 - 8.5-26.7 HB3 GLU 37 - HE2 LYS 39 far 0 59 0 - 8.7-12.4 HG2 GLU 69 - HE2 LYS 39 far 0 60 0 - 8.7-15.2 HG3 GLU 104 - HE3 LYS 68 far 0 68 0 - 8.8-25.1 HB2 LEU 64 - HE2 LYS 66 far 0 93 0 - 8.8-10.4 HB3 GLU 37 - HE3 LYS 39 far 0 75 0 - 8.9-12.1 HG2 GLU 44 - HE3 LYS 39 far 0 75 0 - 9.0-14.9 HG2 GLU 104 - HE3 LYS 68 far 0 92 0 - 9.1-23.6 HB2 GLN 72 - HE3 LYS 39 far 0 47 0 - 9.2-14.2 HB2 GLN 72 - HE2 LYS 39 far 0 36 0 - 9.2-14.8 HG2 GLU 44 - HE2 LYS 39 far 0 60 0 - 9.2-15.2 HB3 GLU 23 - HE3 LYS 94 far 0 82 0 - 9.4-15.4 HG2 GLU 104 - HE2 LYS 68 far 0 90 0 - 9.5-25.2 HG2 GLU 88 - HE2 LYS 94 far 0 79 0 - 9.5-16.1 HG2 GLU 69 - HE3 LYS 39 far 0 75 0 - 9.6-14.6 HB2 GLU 75 - HE2 LYS 39 far 0 59 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 12155 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.43 A): 5 out of 27 assignments used, quality = 0.90: HB2 GLU 35 + HG3 LYS 66 OK 50 100 55 91 2.8-8.1 10434=51, ~12289=30...(13) HB2 GLU 62 + HG2 LYS 66 OK 49 100 55 90 3.8-7.7 7006/10739=49...(12) HB2 GLU 62 + HG3 LYS 66 OK 32 100 45 72 3.8-7.7 ~12158=17, ~12156=17...(11) HB3 GLU 44 + HG2 LYS 47 OK 24 55 45 100 4.0-7.2 3.0/12088=68...(16) QE MET 1 + HG3 LYS 53 OK 21 21 100 98 1.9-4.7 3.3/12161=58...(16) HB3 GLU 48 - HG2 LYS 47 poor 12 29 40 - 3.3-7.5 QE MET 74 - HG2 LYS 73 poor 11 55 20 - 4.8-8.1 HB2 GLU 35 - HG2 LYS 66 far 10 100 10 - 4.2-9.7 HB2 ARG 46 - HG2 LYS 47 poor 9 31 30 - 3.6-7.2 HB2 GLU 44 - HG2 LYS 47 far 8 55 15 - 4.7-7.9 HB2 GLU 37 - HG3 LYS 33 far 5 46 10 - 5.1-6.1 HB3 MET 1 - HG3 LYS 53 far 0 37 0 - 6.0-9.8 HB2 GLU 99 - HG3 LYS 53 far 0 22 0 - 6.3-9.8 HB3 GLU 17 - HG3 LYS 13 far 0 55 0 - 6.4-9.3 HB3 GLU 99 - HG3 LYS 53 far 0 26 0 - 6.5-10.7 HB3 LYS 94 - HG3 LYS 24 far 0 41 0 - 6.8-11.4 HB3 MET 1 - HG2 LYS 53 far 0 30 0 - 6.8-8.7 QE MET 74 - HG2 LYS 47 far 0 55 0 - 7.1-11.1 HB3 GLU 99 - HG2 LYS 53 far 0 21 0 - 7.2-11.3 HG12 ILE 93 - HG3 LYS 24 far 0 30 0 - 7.4-13.2 HB2 GLN 50 - HG2 LYS 47 far 0 53 0 - 7.6-12.2 HB2 GLN 50 - HG2 LYS 53 far 0 28 0 - 8.8-9.7 HB2 GLN 50 - HG3 LYS 53 far 0 35 0 - 9.1-10.7 QE MET 74 - HG3 LYS 66 far 0 99 0 - 9.3-11.5 HB2 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.4-12.4 QE MET 74 - HG2 LYS 66 far 0 99 0 - 9.5-12.0 HB2 GLU 37 - HG3 LYS 66 far 0 71 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 12156 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 4.50 A): 4 out of 27 assignments used, quality = 0.92: HB3 GLU 35 + HG3 LYS 66 OK 66 100 75 89 3.2-6.6 1.8/10434=43, ~12289=31...(15) HB3 GLU 62 + HG2 LYS 66 OK 53 99 60 89 4.1-8.3 7007/10739=51...(15) HB2 GLU 23 + HG3 LYS 24 OK 30 43 90 78 4.2-7.6 4.6/6386=44...(10) QE MET 21 + HG3 LYS 24 OK 26 37 85 84 3.0-5.7 8540/3.7=51...(5) HG3 GLU 37 - HG3 LYS 33 poor 16 52 30 - 4.9-6.3 HB3 GLU 35 - HG2 LYS 66 far 15 100 15 - 4.8-8.2 HB3 GLU 62 - HG3 LYS 66 far 15 99 15 - 4.3-8.2 HB3 GLU 48 - HG2 LYS 47 poor 14 34 40 - 3.3-7.5 HB2 MET 21 - HG3 LYS 24 poor 11 28 40 - 5.0-8.9 HB2 MET 74 - HG2 LYS 73 poor 10 49 20 - 4.6-8.2 HB3 GLU 43 - HG2 LYS 47 far 0 51 0 - 5.6-10.4 HB2 GLU 16 - HG3 LYS 13 far 0 54 0 - 6.2-8.1 HB2 PRO 86 - HG3 LYS 13 far 0 26 0 - 6.5-9.4 HB2 LEU 64 - HG2 LYS 66 far 0 73 0 - 6.7-9.0 HB3 PRO 86 - HG3 LYS 13 far 0 42 0 - 7.2-8.8 HB3 LEU 38 - HG3 LYS 66 far 0 99 0 - 7.2-10.2 HB3 GLU 48 - HG3 LYS 53 far 0 22 0 - 7.7-10.5 HB3 LEU 38 - HG2 LYS 66 far 0 99 0 - 7.9-10.8 HB2 LEU 64 - HG3 LYS 66 far 0 73 0 - 8.0-9.5 HB3 LEU 38 - HG2 LYS 73 far 0 55 0 - 8.2-12.9 HB3 LEU 38 - HG3 LYS 33 far 0 73 0 - 8.2-11.0 HB3 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.6-11.5 HB2 MET 74 - HG2 LYS 47 far 0 49 0 - 8.9-12.8 HG3 GLU 104 - HG2 LYS 53 far 0 26 0 - 9.3-17.8 HG3 GLU 104 - HG3 LYS 53 far 0 33 0 - 9.5-16.5 HG3 GLU 37 - HG3 LYS 66 far 0 78 0 - 9.6-13.2 HB2 GLU 16 - HG3 LYS 24 far 0 43 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 12157 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.43 A): 5 out of 27 assignments used, quality = 0.90: HB2 GLU 35 + HG3 LYS 66 OK 50 100 55 91 2.8-8.1 10434=51, ~12289=30...(13) HB2 GLU 62 + HG2 LYS 66 OK 49 100 55 90 3.8-7.7 7006/10739=49...(12) HB2 GLU 62 + HG3 LYS 66 OK 32 100 45 72 3.8-7.7 ~12158=17, ~12156=17...(11) HB3 GLU 44 + HG2 LYS 47 OK 24 55 45 100 4.0-7.2 3.0/12088=68...(16) QE MET 1 + HG3 LYS 53 OK 21 21 100 98 1.9-4.7 3.3/12161=58...(16) HB3 GLU 48 - HG2 LYS 47 poor 12 29 40 - 3.3-7.5 QE MET 74 - HG2 LYS 73 poor 11 55 20 - 4.8-8.1 HB2 GLU 35 - HG2 LYS 66 far 10 100 10 - 4.2-9.7 HB2 ARG 46 - HG2 LYS 47 poor 9 31 30 - 3.6-7.2 HB2 GLU 44 - HG2 LYS 47 far 8 55 15 - 4.7-7.9 HB2 GLU 37 - HG3 LYS 33 far 5 46 10 - 5.1-6.1 HB3 MET 1 - HG3 LYS 53 far 0 37 0 - 6.0-9.8 HB2 GLU 99 - HG3 LYS 53 far 0 22 0 - 6.3-9.8 HB3 GLU 17 - HG3 LYS 13 far 0 55 0 - 6.4-9.3 HB3 GLU 99 - HG3 LYS 53 far 0 26 0 - 6.5-10.7 HB3 LYS 94 - HG3 LYS 24 far 0 41 0 - 6.8-11.4 HB3 MET 1 - HG2 LYS 53 far 0 30 0 - 6.8-8.7 QE MET 74 - HG2 LYS 47 far 0 55 0 - 7.1-11.1 HB3 GLU 99 - HG2 LYS 53 far 0 21 0 - 7.2-11.3 HG12 ILE 93 - HG3 LYS 24 far 0 30 0 - 7.4-13.2 HB2 GLN 50 - HG2 LYS 47 far 0 53 0 - 7.6-12.2 HB2 GLN 50 - HG2 LYS 53 far 0 28 0 - 8.8-9.7 HB2 GLN 50 - HG3 LYS 53 far 0 35 0 - 9.1-10.7 QE MET 74 - HG3 LYS 66 far 0 99 0 - 9.3-11.5 HB2 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.4-12.4 QE MET 74 - HG2 LYS 66 far 0 99 0 - 9.5-12.0 HB2 GLU 37 - HG3 LYS 66 far 0 71 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 12158 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 4.50 A): 4 out of 27 assignments used, quality = 0.92: HB3 GLU 35 + HG3 LYS 66 OK 66 100 75 89 3.2-6.6 1.8/10434=43, ~12289=31...(15) HB3 GLU 62 + HG2 LYS 66 OK 53 99 60 89 4.1-8.3 7007/10739=51...(15) HB2 GLU 23 + HG3 LYS 24 OK 30 43 90 78 4.2-7.6 4.6/6386=44...(10) QE MET 21 + HG3 LYS 24 OK 26 37 85 84 3.0-5.7 8540/3.7=51...(5) HG3 GLU 37 - HG3 LYS 33 poor 16 52 30 - 4.9-6.3 HB3 GLU 35 - HG2 LYS 66 far 15 100 15 - 4.8-8.2 HB3 GLU 62 - HG3 LYS 66 far 15 99 15 - 4.3-8.2 HB3 GLU 48 - HG2 LYS 47 poor 14 34 40 - 3.3-7.5 HB2 MET 21 - HG3 LYS 24 poor 11 28 40 - 5.0-8.9 HB2 MET 74 - HG2 LYS 73 poor 10 49 20 - 4.6-8.2 HB3 GLU 43 - HG2 LYS 47 far 0 51 0 - 5.6-10.4 HB2 GLU 16 - HG3 LYS 13 far 0 54 0 - 6.2-8.1 HB2 PRO 86 - HG3 LYS 13 far 0 26 0 - 6.5-9.4 HB2 LEU 64 - HG2 LYS 66 far 0 73 0 - 6.7-9.0 HB3 PRO 86 - HG3 LYS 13 far 0 42 0 - 7.2-8.8 HB3 LEU 38 - HG3 LYS 66 far 0 99 0 - 7.2-10.2 HB3 GLU 48 - HG3 LYS 53 far 0 22 0 - 7.7-10.5 HB3 LEU 38 - HG2 LYS 66 far 0 99 0 - 7.9-10.8 HB2 LEU 64 - HG3 LYS 66 far 0 73 0 - 8.0-9.5 HB3 LEU 38 - HG2 LYS 73 far 0 55 0 - 8.2-12.9 HB3 LEU 38 - HG3 LYS 33 far 0 73 0 - 8.2-11.0 HB3 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.6-11.5 HB2 MET 74 - HG2 LYS 47 far 0 49 0 - 8.9-12.8 HG3 GLU 104 - HG2 LYS 53 far 0 26 0 - 9.3-17.8 HG3 GLU 104 - HG3 LYS 53 far 0 33 0 - 9.5-16.5 HG3 GLU 37 - HG3 LYS 66 far 0 78 0 - 9.6-13.2 HB2 GLU 16 - HG3 LYS 24 far 0 43 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 12159 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 1 out of 26 assignments used, quality = 0.20: HG2 MET 1 + HG3 LYS 53 OK 20 38 55 98 3.5-7.4 ~8027=31, 8016=31...(18) HG2 GLU 35 - HG3 LYS 66 poor 20 100 20 - 4.1-9.0 HG3 GLU 35 - HG3 LYS 66 far 15 100 15 - 3.3-8.0 HG2 MET 1 - HG2 LYS 53 poor 9 30 30 - 4.5-6.6 HB3 GLN 72 - HG2 LYS 73 poor 8 32 25 - 3.8-6.7 HB3 GLU 16 - HG3 LYS 13 poor 6 30 20 - 5.0-8.0 HG3 GLU 35 - HG2 LYS 66 far 5 100 5 - 4.7-9.3 HB2 GLU 63 - HG2 LYS 66 far 5 100 5 - 5.3-8.1 HG2 GLU 35 - HG2 LYS 66 far 5 100 5 - 5.1-10.3 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.8-6.6 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 5.6-7.5 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 5.8-9.2 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.1-10.2 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.2-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 6.3-12.3 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.1-12.1 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.1-12.9 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 7.3-10.0 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 7.3-11.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-11.8 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-12.8 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 8.0-12.6 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.3-9.8 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.1-11.0 HB3 GLN 72 - HG2 LYS 66 far 0 67 0 - 9.2-11.9 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 9.5-12.2 Violated in 17 structures by 1.19 A. Peak 12160 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 1 out of 26 assignments used, quality = 0.20: HG2 MET 1 + HG3 LYS 53 OK 20 38 55 98 3.5-7.4 ~8027=31, 8016=31...(18) HG2 GLU 35 - HG3 LYS 66 poor 20 100 20 - 4.1-9.0 HG3 GLU 35 - HG3 LYS 66 far 15 100 15 - 3.3-8.0 HG2 MET 1 - HG2 LYS 53 poor 9 30 30 - 4.5-6.6 HB3 GLN 72 - HG2 LYS 73 poor 8 32 25 - 3.8-6.7 HB3 GLU 16 - HG3 LYS 13 poor 6 30 20 - 5.0-8.0 HG3 GLU 35 - HG2 LYS 66 far 5 100 5 - 4.7-9.3 HB2 GLU 63 - HG2 LYS 66 far 5 100 5 - 5.3-8.1 HG2 GLU 35 - HG2 LYS 66 far 5 100 5 - 5.1-10.3 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.8-6.6 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 5.6-7.5 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 5.8-9.2 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.1-10.2 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.2-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 6.3-12.3 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.1-12.1 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.1-12.9 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 7.3-10.0 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 7.3-11.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-11.8 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-12.8 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 8.0-12.6 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.3-9.8 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.1-11.0 HB3 GLN 72 - HG2 LYS 66 far 0 67 0 - 9.2-11.9 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 9.5-12.2 Violated in 17 structures by 1.19 A. Peak 12161 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 1 out of 26 assignments used, quality = 0.20: HG2 MET 1 + HG3 LYS 53 OK 20 38 55 98 3.5-7.4 ~8027=31, 8016=31...(18) HG2 GLU 35 - HG3 LYS 66 poor 20 100 20 - 4.1-9.0 HG3 GLU 35 - HG3 LYS 66 far 15 100 15 - 3.3-8.0 HG2 MET 1 - HG2 LYS 53 poor 9 30 30 - 4.5-6.6 HB3 GLN 72 - HG2 LYS 73 poor 8 32 25 - 3.8-6.7 HB3 GLU 16 - HG3 LYS 13 poor 6 30 20 - 5.0-8.0 HG3 GLU 35 - HG2 LYS 66 far 5 100 5 - 4.7-9.3 HB2 GLU 63 - HG2 LYS 66 far 5 100 5 - 5.3-8.1 HG2 GLU 35 - HG2 LYS 66 far 5 100 5 - 5.1-10.3 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.8-6.6 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 5.6-7.5 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 5.8-9.2 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.1-10.2 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.2-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 6.3-12.3 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.1-12.1 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.1-12.9 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 7.3-10.0 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 7.3-11.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-11.8 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-12.8 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 8.0-12.6 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.3-9.8 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.1-11.0 HB3 GLN 72 - HG2 LYS 66 far 0 67 0 - 9.2-11.9 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 9.5-12.2 Violated in 17 structures by 1.19 A. Peak 12162 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 1 out of 26 assignments used, quality = 0.20: HG2 MET 1 + HG3 LYS 53 OK 20 38 55 98 3.5-7.4 ~8027=31, 8016=31...(18) HG2 GLU 35 - HG3 LYS 66 poor 20 100 20 - 4.1-9.0 HG3 GLU 35 - HG3 LYS 66 far 15 100 15 - 3.3-8.0 HG2 MET 1 - HG2 LYS 53 poor 9 30 30 - 4.5-6.6 HB3 GLN 72 - HG2 LYS 73 poor 8 32 25 - 3.8-6.7 HB3 GLU 16 - HG3 LYS 13 poor 6 30 20 - 5.0-8.0 HG3 GLU 35 - HG2 LYS 66 far 5 100 5 - 4.7-9.3 HB2 GLU 63 - HG2 LYS 66 far 5 100 5 - 5.3-8.1 HG2 GLU 35 - HG2 LYS 66 far 5 100 5 - 5.1-10.3 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.8-6.6 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 5.6-7.5 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 5.8-9.2 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.1-10.2 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.2-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 6.3-12.3 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.1-12.1 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.1-12.9 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 7.3-10.0 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 7.3-11.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-11.8 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-12.8 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 8.0-12.6 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.3-9.8 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.1-11.0 HB3 GLN 72 - HG2 LYS 66 far 0 67 0 - 9.2-11.9 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 9.5-12.2 Violated in 17 structures by 1.19 A. Peak 12163 from cnoeabs.peaks (8.26, 3.81, 60.00 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.96: H ALA 71 + HA LYS 68 OK 91 99 100 91 3.4-4.3 7157/7142=45...(10) H GLU 23 + HA ARG 19 OK 58 95 65 93 3.9-5.1 6354/786=44, 6363/787=41...(9) H LEU 27 - HA ARG 19 far 0 93 0 - 7.0-8.1 H LYS 94 - HA ARG 19 far 0 100 0 - 8.5-10.4 Violated in 6 structures by 0.04 A. Peak 12164 from cnoeabs.peaks (2.42, 1.84, 32.20 ppm; 5.52 A): 7 out of 11 assignments used, quality = 1.00: HG2 GLN 72 + HB2 LYS 68 OK 100 100 100 100 3.8-5.9 7174/9557=77, ~9563=64...(16) HG3 MET 21 + HB3 LYS 90 OK 86 86 100 100 2.0-4.9 ~3920=72, ~8546=67...(39) HB3 MET 21 + HB3 LYS 90 OK 85 85 100 100 3.0-5.9 ~9948=71, ~3920=55...(37) HG3 MET 21 + HB2 LYS 90 OK 49 49 100 100 2.4-5.2 ~3920=72, ~8546=67...(39) HB3 MET 21 + HB2 LYS 90 OK 48 48 100 100 3.8-6.1 ~9948=71, ~3920=55...(38) HG3 GLU 17 + HB3 LYS 90 OK 42 95 45 98 4.9-9.0 ~12027=49, ~12028=43...(16) HG3 GLU 17 + HB2 LYS 90 OK 22 57 40 98 4.4-9.3 ~12027=49, ~12028=43...(16) HB2 ASP 11 - HB3 LYS 12 far 8 56 15 - 6.1-6.9 HB2 ASP 11 - HB2 LYS 12 far 0 60 0 - 7.2-7.8 HG3 GLU 17 - HB2 LYS 12 far 0 62 0 - 7.6-9.3 HG3 GLU 17 - HB3 LYS 12 far 0 57 0 - 8.2-9.6 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 8 assignments used, quality = 0.99: HG2 GLN 72 + HB3 LYS 68 OK 85 100 85 100 3.8-7.5 1.8/9563=84...(16) HB2 ASP 11 + HB3 LYS 12 OK 76 89 90 94 6.1-6.9 3.0/8368=50, ~11008=46...(7) HB3 MET 21 + HB2 LYS 20 OK 67 72 100 93 4.3-6.8 4.0/6324=81, ~958=27...(8) HG3 MET 21 + HB2 LYS 20 OK 51 73 90 78 4.6-7.8 5.1/6324=69, 13/1.8=9...(5) HG3 GLU 17 - HB2 LYS 20 far 8 82 10 - 6.5-9.2 HB2 ASP 11 - HB2 LYS 12 far 0 88 0 - 7.2-7.8 HG3 GLU 17 - HB2 LYS 12 far 0 90 0 - 7.6-9.3 HG3 GLU 17 - HB3 LYS 12 far 0 91 0 - 8.2-9.6 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 6 assignments used, quality = 0.72: HG3 GLN 72 + HB3 LYS 68 OK 55 100 55 99 3.9-8.3 9563=73, 12324/3.0=45...(17) HG2 MET 74 + HB3 LYS 39 OK 38 95 40 99 4.6-7.2 ~12073=44, ~9609=43...(18) HB3 ASP 36 - HB3 LYS 39 far 10 66 15 - 5.2-7.7 HB2 ASP 36 - HB3 LYS 39 far 10 64 15 - 5.1-7.8 HB2 ASP 61 - HB3 LYS 68 far 0 75 0 - 9.4-12.7 HG3 GLU 63 - HB3 LYS 68 far 0 85 0 - 9.9-12.7 Violated in 10 structures by 0.35 A. Peak 12172 from cnoeabs.peaks (1.34, 0.62, 13.70 ppm; 3.83 A): 2 out of 9 assignments used, quality = 1.00: HG LEU 14 + QD1 ILE 7 OK 98 99 100 99 2.4-4.1 2.1/10272=55, 11079=46...(20) QB ALA 89 + QD1 ILE 7 OK 82 100 100 82 1.9-3.2 2.1/8259=20...(13) HG12 ILE 8 - QD1 ILE 7 far 0 89 0 - 6.1-6.8 QB ALA 67 - QD1 ILE 7 far 0 100 0 - 7.7-8.6 HB3 ARG 30 - QD1 ILE 7 far 0 77 0 - 8.0-8.9 HB2 LYS 82 - QD1 ILE 7 far 0 100 0 - 8.5-9.7 QB ALA 25 - QD1 ILE 7 far 0 100 0 - 8.9-10.1 HG2 LYS 94 - QD1 ILE 7 far 0 100 0 - 9.6-12.9 HB3 LEU 27 - QD1 ILE 7 far 0 100 0 - 9.6-11.3 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 11 assignments used, quality = 0.95: QE MET 74 + HA ALA 71 OK 93 98 95 100 3.1-5.5 3.4/9551=59, 3.4/9552=54...(21) HG12 ILE 93 + HA ALA 22 OK 25 32 80 97 4.1-6.1 ~10327=52, ~11004=41...(13) HB2 GLU 35 - HA ALA 67 far 0 76 0 - 5.8-8.9 HB3 LYS 94 - HA ALA 22 far 0 42 0 - 6.7-8.8 QE MET 74 - HA ALA 67 far 0 74 0 - 6.8-8.0 HB2 ARG 46 - HA ALA 71 far 0 64 0 - 7.7-11.1 HB2 GLU 37 - HA ALA 67 far 0 47 0 - 8.2-10.2 HB2 GLU 62 - HA ALA 67 far 0 75 0 - 8.9-11.3 HB2 GLU 35 - HA ALA 71 far 0 99 0 - 9.1-12.9 HB2 GLU 98 - HA ALA 22 far 0 25 0 - 9.7-11.5 HB3 GLU 17 - HA ALA 22 far 0 45 0 - 10.0-11.5 Violated in 0 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 3.9-5.0 12298=99, 7175/7170=92...(13) HG2 MET 74 + QB ALA 71 OK 97 98 100 100 4.7-6.0 9613/2.1=78, ~9552=63...(16) 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 15 assignments used, quality = 0.83: QD2 LEU 42 + QB ALA 71 OK 61 69 100 88 1.8-3.3 8924/2.1=33...(20) QD1 ILE 76 + QB ALA 71 OK 57 100 60 94 2.9-5.4 3.2/10834=45...(19) QG1 VAL 54 - QB ALA 71 far 6 59 10 - 4.3-5.4 QD1 LEU 6 - QB ALA 71 far 0 77 0 - 4.5-5.8 QD1 LEU 70 - QB ALA 71 far 0 96 0 - 4.5-5.5 QD2 LEU 38 - QB ALA 71 far 0 89 0 - 4.7-6.9 QD2 LEU 70 - QB ALA 71 far 0 100 0 - 5.3-5.7 QG2 ILE 52 - QB ALA 71 far 0 89 0 - 5.6-8.0 QG2 VAL 32 - QB ALA 71 far 0 75 0 - 6.7-7.7 QD2 LEU 103 - QB ALA 71 far 0 84 0 - 6.8-14.8 QD2 LEU 57 - QB ALA 71 far 0 100 0 - 7.4-8.5 QD1 LEU 57 - QB ALA 71 far 0 82 0 - 7.5-10.1 QG2 ILE 8 - QB ALA 71 far 0 97 0 - 8.4-9.5 QD2 LEU 2 - QB ALA 71 far 0 99 0 - 9.2-10.7 QG2 ILE 7 - QB ALA 71 far 0 100 0 - 9.8-10.8 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 2.6-5.3 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 2.5-4.2 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): 4 out of 25 assignments used, quality = 0.91: HB3 GLU 23 + HG3 LYS 24 OK 68 85 95 84 3.2-6.9 1034/6386=60, 10461=33...(10) HB3 GLU 69 + HG2 LYS 73 OK 44 69 80 80 3.2-6.7 4.6/10819=44, 10461=21...(10) HB2 GLU 69 + HG2 LYS 73 OK 33 69 60 79 3.9-7.2 4.6/10819=44...(9) HG2 MET 1 + HG3 LYS 53 OK 22 41 55 97 3.5-7.4 ~8027=38, ~12114=35...(19) HB2 GLN 72 - HG2 LYS 73 poor 20 100 20 - 4.8-6.6 HB3 GLU 37 - HG3 LYS 33 poor 17 52 45 73 5.2-6.5 8810/6535=35...(5) HB3 GLU 16 - HG3 LYS 13 poor 17 99 30 57 5.0-8.0 494/486=41, 3.0/10604=17 HG2 GLU 44 - HG2 LYS 47 poor 17 84 20 - 4.9-8.9 HG2 MET 1 - HG2 LYS 53 poor 15 33 45 - 4.5-6.6 HG3 GLU 75 - HG2 LYS 73 far 0 97 0 - 5.8-9.2 HG2 GLU 69 - HG2 LYS 73 far 0 69 0 - 5.9-9.2 HG2 GLU 75 - HG2 LYS 73 far 0 98 0 - 6.1-10.2 HG3 PRO 86 - HG3 LYS 13 far 0 65 0 - 6.2-9.9 HG2 GLU 43 - HG2 LYS 47 far 0 81 0 - 7.1-12.1 HB3 GLU 75 - HG2 LYS 73 far 0 79 0 - 7.3-10.0 HB3 GLN 50 - HG2 LYS 47 far 0 97 0 - 7.3-11.1 HG3 GLU 35 - HG2 LYS 73 far 0 65 0 - 7.5-11.8 HG2 GLU 35 - HG2 LYS 73 far 0 65 0 - 8.0-12.8 HG2 GLU 43 - HG2 LYS 73 far 0 80 0 - 8.0-12.6 HB2 GLU 75 - HG2 LYS 73 far 0 85 0 - 8.1-10.4 HB3 GLN 50 - HG2 LYS 53 far 0 60 0 - 8.3-9.8 HB3 GLN 50 - HG3 LYS 53 far 0 72 0 - 9.1-11.0 HG2 GLU 104 - HG2 LYS 53 far 0 61 0 - 9.4-18.5 HB2 GLU 63 - HG3 LYS 33 far 0 49 0 - 9.5-12.2 HG2 GLU 104 - HG3 LYS 53 far 0 73 0 - 9.8-17.1 Violated in 0 structures by 0.00 A. Peak 12182 from cnoeabs.peaks (2.23, 1.49, 25.00 ppm; 4.80 A): 3 out of 11 assignments used, quality = 0.74: HG2 GLU 37 + HG3 LYS 33 OK 45 64 90 78 3.5-6.5 8817/6523=39...(5) HB3 GLN 72 + HG2 LYS 73 OK 35 100 35 99 3.8-6.7 10841/1.8=77...(6) HG2 MET 1 + HG3 LYS 53 OK 27 50 55 98 3.5-7.4 ~8027=37, 9180/5.0=35...(18) HG2 MET 1 - HG2 LYS 53 poor 14 41 35 - 4.5-6.6 HG2 GLU 17 - HG3 LYS 13 far 14 95 15 - 5.2-8.4 HG3 PRO 86 - HG3 LYS 13 far 0 65 0 - 6.2-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 76 0 - 6.3-12.3 HG2 GLU 99 - HG2 LYS 53 far 0 63 0 - 7.1-12.9 HG3 GLU 35 - HG2 LYS 73 far 0 69 0 - 7.5-11.8 HG2 GLU 35 - HG2 LYS 73 far 0 69 0 - 8.0-12.8 HB2 GLU 63 - HG3 LYS 33 far 0 56 0 - 9.5-12.2 Violated in 1 structures by 0.02 A. Peak 12183 from cnoeabs.peaks (2.16, 1.60, 25.00 ppm; 5.64 A): 4 out of 21 assignments used, quality = 1.00: HB2 GLN 72 + HG3 LYS 73 OK 100 100 100 100 4.7-5.5 10845=97, 7198/7208=94...(10) HB3 GLU 23 + HG2 LYS 24 OK 82 92 95 93 4.6-6.9 1034/6385=80...(11) HB2 GLU 69 + HG3 LYS 73 OK 45 69 100 64 4.5-6.5 3.0/9581=25, ~10461=19...(7) HB3 GLU 69 + HG3 LYS 73 OK 44 69 100 64 3.4-5.6 3.0/9581=25...(8) HG3 PRO 86 - HG3 LYS 90 poor 18 37 50 - 5.1-8.2 HG2 GLU 44 - HG3 LYS 47 poor 18 59 30 - 4.7-8.0 HG2 GLU 69 - HG3 LYS 73 poor 17 69 55 46 6.0-8.3 4.1/9581=22, ~10461=16...(4) HG2 GLU 75 - HG3 LYS 73 far 10 98 10 - 6.3-8.8 HG3 GLU 75 - HG3 LYS 73 far 0 97 0 - 6.8-8.1 HG2 GLU 88 - HG3 LYS 90 far 0 56 0 - 7.0-10.9 HB3 GLU 16 - HG3 LYS 12 far 0 99 0 - 7.0-8.3 HB2 GLU 75 - HG3 LYS 73 far 0 85 0 - 7.0-9.7 HG3 GLU 35 - HG3 LYS 73 far 0 65 0 - 7.4-12.8 HG2 GLU 43 - HG3 LYS 47 far 0 56 0 - 7.7-10.4 HB3 GLU 75 - HG3 LYS 73 far 0 79 0 - 7.8-9.5 HB3 GLU 16 - HG3 LYS 90 far 0 65 0 - 7.9-10.5 HB3 GLN 50 - HG3 LYS 47 far 0 72 0 - 7.9-11.2 HG2 GLU 43 - HG3 LYS 73 far 0 80 0 - 8.3-13.3 HG2 GLU 35 - HG3 LYS 73 far 0 65 0 - 8.6-12.4 HB3 GLU 95 - HG3 LYS 90 far 0 66 0 - 8.9-13.1 HB3 GLU 23 - HG3 LYS 90 far 0 64 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 12185 from cnoeabs.peaks (2.53, 1.96, 32.30 ppm; 4.88 A): 2 out of 7 assignments used, quality = 1.00: HG2 MET 74 + HB3 LYS 73 OK 98 100 100 99 3.3-4.6 7228/4.6=63, 9612/3.0=33...(14) HG2 MET 74 + HB2 LYS 73 OK 98 100 100 98 3.0-4.8 7228/4.6=63, 9612/3.0=33...(12) HG3 GLU 23 - HB3 LYS 20 poor 6 31 20 - 4.8-8.1 HG3 GLU 23 - HB2 LYS 24 far 0 45 0 - 6.3-8.2 HG3 GLU 23 - HB3 LYS 24 far 0 45 0 - 6.6-8.1 HG3 GLN 72 - HB2 LYS 73 far 0 99 0 - 6.7-7.2 HG3 GLN 72 - HB3 LYS 73 far 0 99 0 - 7.8-8.3 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 2 assignments used, quality = 1.00: HG3 MET 74 + HB3 LYS 73 OK 99 100 100 99 3.7-6.1 7229/4.6=74...(13) HG3 MET 74 + HB2 LYS 73 OK 99 100 100 99 4.2-6.3 7229/4.6=74...(12) Violated in 0 structures by 0.00 A. Peak 12187 from cnoeabs.peaks (2.53, 1.96, 32.30 ppm; 4.88 A): 2 out of 7 assignments used, quality = 1.00: HG2 MET 74 + HB3 LYS 73 OK 98 100 100 99 3.3-4.6 7228/4.6=63, 9612/3.0=33...(14) HG2 MET 74 + HB2 LYS 73 OK 98 100 100 98 3.0-4.8 7228/4.6=63, 9612/3.0=33...(12) HG3 GLU 23 - HB3 LYS 20 poor 6 31 20 - 4.8-8.1 HG3 GLU 23 - HB2 LYS 24 far 0 45 0 - 6.3-8.2 HG3 GLU 23 - HB3 LYS 24 far 0 45 0 - 6.6-8.1 HG3 GLN 72 - HB2 LYS 73 far 0 99 0 - 6.7-7.2 HG3 GLN 72 - HB3 LYS 73 far 0 99 0 - 7.8-8.3 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 2 assignments used, quality = 1.00: HG3 MET 74 + HB3 LYS 73 OK 99 100 100 99 3.7-6.1 7229/4.6=74...(13) HG3 MET 74 + HB2 LYS 73 OK 99 100 100 99 4.2-6.3 7229/4.6=74...(12) Violated in 0 structures by 0.00 A. Peak 12193 from cnoeabs.peaks (1.37, 2.01, 17.30 ppm; 4.10 A): 2 out of 7 assignments used, quality = 0.93: HG2 LYS 39 + QE MET 74 OK 79 79 100 100 1.9-3.8 1.8/12073=70, 12072=50...(21) HB2 LEU 70 + QE MET 74 OK 65 98 70 95 4.1-5.4 3.0/10282=46...(16) QB ALA 71 - QE MET 74 poor 13 53 25 - 4.2-6.3 HG3 LYS 40 - QE MET 74 far 0 95 0 - 6.2-7.1 QB ALA 67 - QE MET 74 far 0 65 0 - 7.1-8.1 HG3 LYS 68 - QE MET 74 far 0 85 0 - 9.7-12.2 HB3 ARG 30 - QE MET 74 far 0 98 0 - 9.9-11.2 Violated in 0 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 100 100 100 100 2.6-5.9 5.8/7284=74...(13) HD3 ARG 79 + HA VAL 78 OK 100 100 100 100 3.4-5.5 5.8/7284=74, 12196=51...(13) HB2 PHE 96 - HA VAL 78 far 0 80 0 - 9.5-10.7 HB3 HIS 105 - HA VAL 78 far 0 100 0 - 9.8-20.4 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 100 100 100 100 2.6-5.9 5.8/7284=74...(13) HD3 ARG 79 + HA VAL 78 OK 100 100 100 100 3.4-5.5 5.8/7284=74, 12196=51...(13) HB2 PHE 96 - HA VAL 78 far 0 80 0 - 9.5-10.7 HB3 HIS 105 - HA VAL 78 far 0 100 0 - 9.8-20.4 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 = 1.00: HA VAL 78 + HD3 ARG 79 OK 97 100 100 97 3.4-5.5 7284/5.8=51, 9690/3.8=30...(13) HA VAL 78 + HD2 ARG 79 OK 92 100 95 97 2.6-5.9 7284/5.8=51, 9690/3.8=30...(13) HA VAL 54 - HD3 ARG 79 poor 19 75 25 - 4.7-8.7 HA VAL 54 - HD2 ARG 79 far 11 75 15 - 4.6-8.0 Violated in 0 structures by 0.00 A. Peak 12197 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 78 + HD3 ARG 79 OK 97 100 100 97 3.4-5.5 7284/5.8=51, 9690/3.8=30...(13) HA VAL 78 + HD2 ARG 79 OK 92 100 95 97 2.6-5.9 7284/5.8=51, 9690/3.8=30...(13) HA VAL 54 - HD3 ARG 79 poor 19 75 25 - 4.7-8.7 HA VAL 54 - HD2 ARG 79 far 11 75 15 - 4.6-8.0 Violated in 0 structures by 0.00 A. Peak 12198 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.31 A): 2 out of 7 assignments used, quality = 0.83: HA LEU 55 + HG2 ARG 79 OK 64 100 65 98 2.0-5.8 12329/3.0=54...(16) HA LEU 55 + HG3 ARG 79 OK 53 99 55 98 3.5-6.1 12329/3.0=54...(15) HA LEU 55 - HG LEU 6 far 0 91 0 - 5.6-7.6 HA LEU 27 - HG LEU 2 far 0 82 0 - 7.3-9.3 HA LYS 82 - HG2 ARG 79 far 0 74 0 - 8.7-12.5 HA LEU 27 - HG3 ARG 30 far 0 57 0 - 9.0-12.6 HA LYS 82 - HG3 ARG 79 far 0 73 0 - 9.2-12.4 Violated in 10 structures by 0.27 A. Peak 12199 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.31 A): 2 out of 7 assignments used, quality = 0.83: HA LEU 55 + HG2 ARG 79 OK 64 100 65 98 2.0-5.8 12329/3.0=54...(16) HA LEU 55 + HG3 ARG 79 OK 53 99 55 98 3.5-6.1 12329/3.0=54...(15) HA LEU 55 - HG LEU 6 far 0 91 0 - 5.6-7.6 HA LEU 27 - HG LEU 2 far 0 82 0 - 7.3-9.3 HA LYS 82 - HG2 ARG 79 far 0 74 0 - 8.7-12.5 HA LEU 27 - HG3 ARG 30 far 0 57 0 - 9.0-12.6 HA LYS 82 - HG3 ARG 79 far 0 73 0 - 9.2-12.4 Violated in 10 structures by 0.27 A. Peak 12200 from cnoeabs.peaks (1.94, 0.71, 13.70 ppm; 3.61 A): 1 out of 13 assignments used, quality = 1.00: HB VAL 32 + QD1 ILE 8 OK 100 100 100 100 2.4-3.4 12204/2.1=62...(20) HB2 GLU 37 - QD1 ILE 8 far 3 63 5 - 4.5-6.2 HB VAL 32 - QD1 ILE 56 far 0 98 0 - 4.6-7.7 HB2 LYS 33 - QD1 ILE 8 far 0 88 0 - 5.9-8.8 HB3 LYS 33 - QD1 ILE 8 far 0 85 0 - 6.1-8.7 HB2 GLU 37 - QD1 ILE 56 far 0 59 0 - 6.7-9.4 HB3 MET 74 - QD1 ILE 56 far 0 85 0 - 6.9-8.9 HB2 LYS 73 - QD1 ILE 56 far 0 91 0 - 7.5-10.9 HB3 LYS 73 - QD1 ILE 56 far 0 92 0 - 8.8-11.8 HB3 LEU 14 - QD1 ILE 8 far 0 61 0 - 9.0-10.1 HB2 ARG 46 - QD1 ILE 56 far 0 65 0 - 9.5-12.1 HB3 ARG 46 - QD1 ILE 56 far 0 89 0 - 9.6-12.1 HB3 ARG 19 - QD1 ILE 8 far 0 98 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 12201 from cnoeabs.peaks (1.46, 0.71, 13.70 ppm; 3.79 A): 3 out of 31 assignments used, quality = 0.94: HB2 LEU 38 + QD1 ILE 8 OK 72 100 85 85 2.8-5.3 3.0/8855=32, 8856=24...(14) HG LEU 38 + QD1 ILE 8 OK 67 100 80 84 2.4-5.3 3.7/8855=27...(12) HG LEU 38 + QD1 ILE 56 OK 32 98 60 54 3.0-6.8 3.0/12202=16...(10) HB2 LEU 38 - QD1 ILE 56 poor 14 97 25 57 2.9-6.1 1.8/12202=18...(10) HG12 ILE 7 - QD1 ILE 8 far 0 65 0 - 4.8-6.5 HG3 LYS 66 - QD1 ILE 8 far 0 71 0 - 5.2-7.8 HB3 LEU 64 - QD1 ILE 8 far 0 77 0 - 5.3-6.5 HG2 LYS 66 - QD1 ILE 8 far 0 75 0 - 5.8-8.4 HB3 LEU 64 - QD1 ILE 56 far 0 73 0 - 6.2-8.4 HG3 LYS 39 - QD1 ILE 56 far 0 89 0 - 6.6-8.6 HG12 ILE 7 - QD1 ILE 56 far 0 61 0 - 6.6-9.0 HG LEU 64 - QD1 ILE 56 far 0 88 0 - 6.7-9.5 HG LEU 29 - QD1 ILE 56 far 0 81 0 - 6.7-10.2 HG LEU 64 - QD1 ILE 8 far 0 92 0 - 6.8-8.1 HG3 LYS 39 - QD1 ILE 8 far 0 93 0 - 7.3-10.0 HG LEU 29 - QD1 ILE 8 far 0 85 0 - 7.5-9.4 HD2 LYS 82 - QD1 ILE 8 far 0 100 0 - 7.8-8.9 HG13 ILE 76 - QD1 ILE 56 far 0 82 0 - 7.8-9.0 HG2 LYS 66 - QD1 ILE 56 far 0 71 0 - 8.1-10.5 HG3 LYS 66 - QD1 ILE 56 far 0 67 0 - 8.2-10.3 HG2 LYS 73 - QD1 ILE 56 far 0 69 0 - 8.2-12.0 HG13 ILE 52 - QD1 ILE 56 far 0 98 0 - 8.3-10.2 QB ALA 22 - QD1 ILE 56 far 0 81 0 - 8.4-10.9 HG3 LYS 53 - QD1 ILE 56 far 0 97 0 - 8.4-11.0 HD2 LYS 53 - QD1 ILE 56 far 0 98 0 - 8.9-12.0 HG2 LYS 53 - QD1 ILE 56 far 0 98 0 - 9.1-10.8 QB ALA 22 - QD1 ILE 8 far 0 85 0 - 9.2-11.3 HD2 LYS 40 - QD1 ILE 8 far 0 100 0 - 9.5-12.3 HD3 LYS 40 - QD1 ILE 8 far 0 100 0 - 9.5-11.5 HD3 LYS 40 - QD1 ILE 56 far 0 97 0 - 9.5-12.8 HD2 LYS 40 - QD1 ILE 56 far 0 98 0 - 9.9-13.2 Violated in 1 structures by 0.00 A. Peak 12202 from cnoeabs.peaks (2.07, 0.71, 13.70 ppm; 5.07 A): 2 out of 14 assignments used, quality = 0.99: HB3 LEU 38 + QD1 ILE 8 OK 98 100 100 98 3.1-5.2 3.0/8855=52...(16) HB3 LEU 38 + QD1 ILE 56 OK 76 98 100 77 3.5-5.9 3.0/8855=23, 8857=23...(10) HB3 GLU 35 - QD1 ILE 8 lone 4 99 25 18 4.6-7.2 10462/12201=12...(3) HG3 GLU 37 - QD1 ILE 8 far 0 59 0 - 6.0-8.2 HB3 GLU 62 - QD1 ILE 8 far 0 94 0 - 6.6-9.8 HB2 MET 74 - QD1 ILE 56 far 0 97 0 - 6.9-9.5 HB3 GLU 35 - QD1 ILE 56 far 0 96 0 - 7.2-9.6 HG3 GLU 104 - QD1 ILE 56 far 0 78 0 - 7.8-20.7 HG12 ILE 93 - QD1 ILE 56 far 0 67 0 - 8.0-11.8 HG2 GLU 28 - QD1 ILE 56 far 0 97 0 - 8.5-14.0 HG3 GLU 37 - QD1 ILE 56 far 0 55 0 - 8.6-11.4 HG12 ILE 93 - QD1 ILE 8 far 0 71 0 - 9.3-12.4 HB3 GLU 43 - QD1 ILE 56 far 0 97 0 - 9.5-11.4 HG3 GLU 28 - QD1 ILE 56 far 0 97 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 12203 from cnoeabs.peaks (1.94, 0.89, 26.30 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 32 + HG13 ILE 8 OK 100 100 100 100 2.1-3.4 12204/1.8=80...(19) HB2 GLU 37 - HG13 ILE 8 far 0 63 0 - 5.1-7.4 HB3 LYS 33 - HG13 ILE 8 far 0 85 0 - 6.1-9.4 HB2 LYS 33 - HG13 ILE 8 far 0 88 0 - 6.2-9.5 HB3 LEU 14 - HG13 ILE 8 far 0 61 0 - 9.5-11.7 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 1.9-2.1 12200/2.1=74...(19) HB2 GLU 37 - HG12 ILE 8 far 0 63 0 - 5.2-6.3 HB2 LYS 33 - HG12 ILE 8 far 0 88 0 - 6.2-8.6 HB3 LYS 33 - HG12 ILE 8 far 0 85 0 - 6.4-8.6 HB3 LEU 14 - HG12 ILE 8 far 0 61 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 12205 from cnoeabs.peaks (1.94, 0.79, 17.50 ppm; 3.31 A): 2 out of 23 assignments used, quality = 0.96: HB VAL 32 + QG2 ILE 8 OK 93 100 95 98 3.3-4.3 12200/3.0=47...(18) HB3 ARG 19 + QG2 ILE 15 OK 52 71 80 92 2.8-5.0 8516=32, 1.8/8514=28...(15) HB2 LYS 33 - QG2 ILE 8 far 4 87 5 - 4.2-6.3 HB3 LYS 33 - QG2 ILE 8 far 0 84 0 - 4.7-6.6 QE MET 1 - QG2 ILE 52 far 0 40 0 - 4.8-5.9 HB2 ARG 46 - QG2 ILE 52 far 0 43 0 - 5.3-7.3 HB2 GLU 37 - QG2 ILE 8 far 0 62 0 - 5.4-6.3 HB3 LEU 14 - QG2 ILE 15 far 0 39 0 - 5.5-6.5 HB3 ARG 46 - QG2 ILE 52 far 0 62 0 - 5.6-7.2 HB3 LYS 47 - QG2 ILE 52 far 0 65 0 - 6.3-8.0 HB3 MET 74 - QG2 ILE 52 far 0 59 0 - 6.7-8.8 HB3 LYS 20 - QG2 ILE 15 far 0 74 0 - 6.9-8.3 HB2 LYS 47 - QG2 ILE 52 far 0 52 0 - 7.1-8.2 HB VAL 32 - QG2 ILE 15 far 0 75 0 - 7.1-8.1 HB2 GLU 17 - QG2 ILE 15 far 0 75 0 - 7.1-7.7 HB2 LYS 13 - QG2 ILE 15 far 0 58 0 - 7.1-7.8 HB3 LYS 13 - QG2 ILE 15 far 0 56 0 - 7.3-8.0 HB3 LEU 14 - QG2 ILE 8 far 0 60 0 - 7.5-8.6 HB3 LYS 33 - QG2 ILE 15 far 0 57 0 - 7.9-9.9 HB2 MET 1 - QG2 ILE 52 far 0 73 0 - 8.2-9.6 HB2 LYS 33 - QG2 ILE 15 far 0 60 0 - 8.2-9.7 HB2 GLU 43 - QG2 ILE 52 far 0 43 0 - 8.8-10.3 HB2 GLU 37 - QG2 ILE 15 far 0 40 0 - 9.3-10.2 Violated in 11 structures by 0.08 A. Peak 12206 from cnoeabs.peaks (1.53, 0.98, 22.10 ppm; 3.76 A): 1 out of 10 assignments used, quality = 0.80: HG12 ILE 56 + QG2 THR 80 OK 80 100 80 100 2.7-4.9 2.9/9729=65, 3.2/9734=59...(23) HG2 ARG 79 - QG2 THR 80 far 0 100 0 - 5.3-7.9 HG3 ARG 79 - QG2 THR 80 far 0 100 0 - 6.2-8.1 HD3 LYS 82 - QG2 THR 80 far 0 65 0 - 6.2-7.9 HG2 LYS 66 - QG2 THR 80 far 0 59 0 - 7.0-8.1 HG LEU 57 - QG2 THR 80 far 0 78 0 - 7.1-8.0 HG LEU 6 - QG2 THR 80 far 0 100 0 - 7.1-8.8 HG3 LYS 66 - QG2 THR 80 far 0 63 0 - 7.7-8.4 HB ILE 7 - QG2 THR 80 far 0 99 0 - 8.2-9.4 HG2 LYS 73 - QG2 THR 80 far 0 61 0 - 9.1-11.6 Violated in 13 structures by 0.42 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 3.5-4.7 11122/7316=95, 12132=67...(9) 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 2.2-4.0 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 = 0.92: HD3 ARG 79 + HG2 ARG 81 OK 67 100 85 79 4.8-9.6 3.8/9693=33, 3.8/9694=29...(9) HD2 ARG 79 + HG2 ARG 81 OK 52 100 65 80 5.0-10.5 3.8/9693=33, 3.8/9694=29...(9) HB2 TRP 92 + HG2 ARG 81 OK 51 87 60 98 5.4-8.8 1.8/12215=83...(10) HB3 HIS 106 - HG2 ARG 81 far 4 88 5 - 7.0-18.9 HB2 PHE 96 - HG2 ARG 81 far 0 89 0 - 8.0-10.2 HB3 HIS 105 - HG2 ARG 81 far 0 98 0 - 8.9-17.0 Violated in 1 structures by 0.01 A. Peak 12215 from cnoeabs.peaks (3.19, 0.43, 25.90 ppm; 6.41 A): 1 out of 2 assignments used, quality = 0.92: HB3 TRP 92 + HG2 ARG 81 OK 92 100 95 97 4.8-7.8 9358/9747=56, ~12216=37...(12) HB2 HIS 106 - HG2 ARG 81 far 0 100 0 - 7.9-19.7 Violated in 6 structures by 0.15 A. Peak 12216 from cnoeabs.peaks (3.10, 0.74, 25.90 ppm; 6.50 A): 3 out of 6 assignments used, quality = 0.95: HB2 TRP 92 + HG3 ARG 81 OK 87 100 90 97 4.9-7.7 ~12215=71, 5.3/10001=60...(9) HD3 ARG 79 + HG3 ARG 81 OK 48 82 80 74 4.9-10.3 12214/1.8=25, ~12214=22...(8) HD2 ARG 79 + HG3 ARG 81 OK 26 79 45 74 5.7-11.2 ~12214=29, 3.8/10908=21...(8) HB2 PHE 96 - HG3 ARG 81 far 5 100 5 - 7.2-10.3 HB2 HIS 105 - HG3 ARG 81 far 0 87 0 - 9.0-16.3 HB3 HIS 105 - HG3 ARG 81 far 0 65 0 - 9.4-16.9 Violated in 1 structures by 0.01 A. Peak 12220 from cnoeabs.peaks (2.11, 1.34, 32.60 ppm; 6.27 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 64 + HB2 LYS 82 OK 100 100 100 100 2.6-3.9 3.1/10252=100...(17) HB VAL 83 - HB2 LYS 82 far 0 100 0 - 7.5-7.7 HB3 GLU 88 - HB2 LYS 82 far 0 71 0 - 8.8-10.5 HB3 GLU 62 - HB2 LYS 82 far 0 89 0 - 9.1-10.1 HG2 GLU 88 - HB2 LYS 82 far 0 75 0 - 9.3-11.9 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 4 assignments used, quality = 0.75: HB2 LEU 14 + HG3 PRO 86 OK 75 100 75 100 3.9-7.5 12011=72, 3.0/9890=66...(31) HG3 LYS 13 - HG3 PRO 86 far 0 87 0 - 6.2-9.9 HG2 LYS 73 - HB3 GLU 75 far 0 71 0 - 7.3-10.0 HB2 ARG 91 - HG3 PRO 86 far 0 68 0 - 8.5-12.7 Violated in 15 structures by 0.69 A. Peak 12222 from cnoeabs.peaks (4.80, 1.81, 30.10 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 83 + HB2 GLU 88 OK 100 100 100 100 3.6-4.3 12223/1.8=80...(20) HA TRP 92 - HB2 GLU 88 far 0 93 0 - 6.9-8.0 HA TRP 92 - HB2 GLU 104 far 0 74 0 - 8.6-19.0 Violated in 0 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 3.7-4.9 12222/1.8=77...(27) HA TRP 92 - HB3 GLU 88 far 0 93 0 - 5.8-7.8 Violated in 2 structures by 0.02 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 3.2-5.6 9796/9813=95...(16) HD1 TRP 92 - HB2 GLU 104 far 0 83 0 - 9.3-22.5 HE21 GLN 72 - HB2 GLU 104 far 0 74 0 - 9.7-22.0 Violated in 0 structures by 0.00 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 2.1-4.7 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 3.9-4.9 9974=99, 9998/9813=91...(14) HE1 TRP 92 - HB2 GLU 104 far 0 83 0 - 7.2-21.8 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 2.4-5.3 9974/1.8=100...(15) Violated in 0 structures by 0.00 A. Peak 12228 from cnoeabs.peaks (1.48, 3.90, 55.60 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.90: HG LEU 57 + HA ALA 89 OK 85 85 100 100 2.6-3.7 2.1/10698=77...(15) HB2 ARG 91 + HA ALA 89 OK 29 99 35 85 5.5-7.3 4033/3904=66...(3) HG3 ARG 91 - HA ALA 89 far 9 87 10 - 4.6-7.9 HG2 LYS 20 - HA ALA 89 far 0 93 0 - 9.6-13.9 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 = 0.95: HB3 SER 59 + HB2 SER 9 OK 95 100 100 95 3.7-5.7 9405/3.0=83, ~9404=46...(6) HA GLU 16 - HB2 SER 9 far 0 100 0 - 9.0-10.6 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 3 assignments used, quality = 0.90: HG3 MET 21 + HD2 LYS 90 OK 75 77 100 98 3.1-6.0 ~12042=60, 1.8/3977=39...(19) HB3 MET 21 + HD2 LYS 90 OK 44 75 60 97 4.3-7.6 ~12042=49, 3.0/3977=36...(21) HG3 GLU 17 + HD2 LYS 90 OK 25 100 25 99 4.7-8.2 ~11024=55, ~12027=43...(37) Violated in 1 structures by 0.00 A. Peak 12233 from cnoeabs.peaks (2.24, 1.70, 29.40 ppm; 5.70 A): 2 out of 17 assignments used, quality = 0.50: HG2 GLU 17 + HD3 LYS 90 OK 35 99 35 100 3.0-9.0 11024/3.0=84, ~12027=51...(38) HG2 GLU 95 + HB3 ARG 91 OK 23 55 60 69 5.0-8.7 ~10040=60, ~4018=7...(5) HG2 GLU 17 - HD2 LYS 20 poor 17 63 70 39 4.1-9.1 10436=15, 10436/1.8=14...(5) HB2 GLU 95 - HB3 ARG 91 poor 16 47 50 66 4.4-8.7 ~10040=49, ~10992=8...(8) HG2 GLU 17 - HD3 LYS 20 poor 15 56 70 39 3.7-9.8 10436/1.8=15, 10436=14...(5) HG2 GLU 23 - HD2 LYS 20 poor 15 42 35 - 5.0-9.6 HG2 GLU 23 - HD3 LYS 20 poor 9 37 25 - 4.1-9.1 HB2 GLU 95 - HD3 LYS 90 far 0 64 0 - 7.6-13.1 HG2 GLU 95 - HD3 LYS 90 far 0 74 0 - 7.7-13.0 HG2 GLU 17 - HD3 LYS 12 far 0 75 0 - 8.4-13.6 HG2 GLU 23 - HD3 LYS 90 far 0 76 0 - 8.6-13.9 HG2 GLU 17 - HG12 ILE 15 far 0 99 0 - 8.8-10.2 HG2 GLU 17 - HB3 ARG 91 far 0 82 0 - 8.9-13.4 HG2 GLU 17 - HD2 LYS 12 far 0 75 0 - 9.1-13.5 HG2 GLU 99 - HB3 ARG 91 far 0 71 0 - 9.1-13.1 HG2 GLU 98 - HB3 ARG 91 far 0 64 0 - 9.4-13.8 HG2 GLU 37 - HG12 ILE 15 far 0 91 0 - 9.5-12.1 Violated in 10 structures by 0.34 A. Peak 12234 from cnoeabs.peaks (2.42, 1.71, 29.40 ppm; 4.72 A): 3 out of 16 assignments used, quality = 0.81: HG3 MET 21 + HD3 LYS 90 OK 59 74 85 94 3.3-5.8 ~8557=30, ~3977=29...(19) HG3 MET 21 + HD2 LYS 90 OK 39 48 85 96 3.1-6.0 ~12042=50, 12044/1.8=34...(19) HG3 GLU 17 + HD3 LYS 90 OK 22 91 25 98 4.1-8.6 ~11024=45, ~12027=35...(39) HB3 MET 21 - HD2 LYS 90 poor 14 47 30 - 4.3-7.6 HG3 GLU 17 - HD2 LYS 90 far 9 62 15 - 4.7-8.2 HB3 MET 21 - HD3 LYS 90 far 7 73 10 - 3.0-7.8 HB2 ASP 11 - HD3 LYS 12 far 0 67 0 - 6.2-9.6 HB2 ASP 11 - HD2 LYS 12 far 0 67 0 - 6.4-9.7 HG3 MET 21 - HB3 ARG 91 far 0 43 0 - 6.6-9.0 HB2 ASP 11 - HG12 ILE 15 far 0 85 0 - 7.5-8.6 HB3 MET 21 - HB3 ARG 91 far 0 42 0 - 7.8-9.6 HG3 GLU 17 - HG12 ILE 15 far 0 86 0 - 8.5-10.5 HG3 GLU 17 - HD2 LYS 12 far 0 68 0 - 9.0-12.0 HG3 GLU 17 - HD3 LYS 12 far 0 68 0 - 9.1-12.4 HG3 GLU 99 - HB3 ARG 91 far 0 51 0 - 9.4-14.0 HG3 GLU 17 - HB3 ARG 91 far 0 55 0 - 9.5-12.5 Violated in 1 structures by 0.01 A. Peak 12236 from cnoeabs.peaks (2.42, 2.81, 41.80 ppm; 4.58 A): 3 out of 11 assignments used, quality = 0.62: HG3 MET 1 + HE2 LYS 53 OK 31 90 35 98 4.7-7.2 3.3/8029=41, ~8027=33...(16) HG3 GLU 17 + HE2 LYS 90 OK 27 98 30 93 3.0-7.8 ~11024=54, 9045/1.8=25...(32) HG3 MET 21 + HE2 LYS 90 OK 24 94 30 85 3.9-6.7 ~12042=38, 12044/3.0=31...(9) HG3 MET 1 - HE3 LYS 53 poor 17 85 20 - 5.1-7.8 HG3 GLU 99 - HE2 LYS 53 far 8 77 10 - 5.0-11.8 HG3 GLU 99 - HE3 LYS 53 far 4 72 5 - 5.1-10.9 HB3 MET 21 - HE2 LYS 90 far 0 94 0 - 5.6-9.1 HG3 GLN 50 - HE2 LYS 53 far 0 85 0 - 8.2-13.8 HG2 GLN 50 - HE2 LYS 53 far 0 82 0 - 8.7-14.4 HB2 ASP 11 - HE2 LYS 90 far 0 96 0 - 9.4-15.3 HG3 GLN 50 - HE3 LYS 53 far 0 79 0 - 9.8-13.9 Violated in 10 structures by 0.32 A. Peak 12237 from cnoeabs.peaks (2.91, 3.89, 59.20 ppm; 5.48 A): 4 out of 17 assignments used, quality = 0.99: HE3 LYS 94 + HA ARG 91 OK 82 100 95 87 2.4-6.5 4.8/4196=35, 4.8/4184=27...(11) HE2 LYS 94 + HA ARG 91 OK 68 98 80 87 3.0-6.6 4.8/4196=35, 4.8/4184=27...(11) HG2 MET 21 + HA ARG 91 OK 58 76 90 84 3.7-7.5 ~8539=42, 3920/9956=34...(13) HE3 LYS 90 + HA ARG 91 OK 44 83 55 97 5.1-9.0 ~7437=56, ~3978=48...(17) HE3 LYS 39 - HA GLU 35 poor 18 70 25 - 4.5-9.2 HE2 LYS 39 - HA GLU 35 poor 16 58 40 70 4.2-10.1 4.9/10561=20...(12) HE2 LYS 66 - HA GLU 35 far 10 95 10 - 5.1-11.0 HE3 LYS 39 - HA LYS 40 poor 8 33 25 - 5.0-8.8 HE3 LYS 39 - HA GLU 43 far 7 66 10 - 6.2-10.6 HE2 LYS 39 - HA LYS 40 poor 5 27 20 - 4.3-8.5 HE3 LYS 66 - HA GLU 35 far 5 99 5 - 5.7-10.5 HE2 LYS 39 - HA GLU 43 far 0 55 0 - 7.5-10.7 HB2 ASN 60 - HA GLU 35 far 0 93 0 - 9.3-12.5 HE2 LYS 20 - HA ARG 91 far 0 100 0 - 9.3-15.9 HE3 LYS 20 - HA ARG 91 far 0 100 0 - 9.4-15.8 HE3 LYS 73 - HA GLU 35 far 0 64 0 - 9.5-15.0 HE3 LYS 73 - HA GLU 43 far 0 61 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 12238 from cnoeabs.peaks (2.92, 3.89, 59.20 ppm; 5.48 A): 4 out of 14 assignments used, quality = 0.99: HE3 LYS 94 + HA ARG 91 OK 81 99 95 87 2.4-6.5 4.8/4196=35, 4.8/4184=27...(11) HG2 MET 21 + HA ARG 91 OK 73 91 90 89 3.7-7.5 3920/9956=45, ~8539=42...(13) HE2 LYS 94 + HA ARG 91 OK 69 100 80 87 3.0-6.6 4.8/4196=35, 4.8/4184=27...(11) HE3 LYS 90 + HA ARG 91 OK 51 95 55 97 5.1-9.0 ~7437=56, ~3978=48...(17) HE2 LYS 66 - HA GLU 35 far 8 84 10 - 5.1-11.0 HE3 LYS 66 - HA GLU 35 far 5 92 5 - 5.7-10.5 HE2 LYS 73 - HA GLU 35 far 0 74 0 - 9.0-14.0 HE2 LYS 73 - HA GLU 43 far 0 70 0 - 9.1-14.8 HB2 ASN 60 - HA GLU 35 far 0 79 0 - 9.3-12.5 HE2 LYS 20 - HA ARG 91 far 0 99 0 - 9.3-15.9 HE3 LYS 20 - HA ARG 91 far 0 99 0 - 9.4-15.8 HE3 LYS 73 - HA GLU 35 far 0 83 0 - 9.5-15.0 HE2 LYS 73 - HA LYS 40 far 0 36 0 - 9.8-16.0 HE3 LYS 73 - HA GLU 43 far 0 79 0 - 9.8-15.0 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 3.0-5.0 4.6=100 QE PHE 96 + HD2 LYS 53 OK 51 51 100 100 3.9-6.3 9214/1.8=83, 9216/3.0=46...(19) HD21 ASN 51 - HD2 LYS 53 far 0 71 0 - 7.1-10.6 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 4.1-6.2 4325/4.0=92, ~10031=61...(15) HB2 TRP 92 + HG13 ILE 93 OK 88 90 100 99 3.3-6.2 9987/10019=61...(12) HD3 ARG 79 - HG13 ILE 93 far 0 76 0 - 7.7-14.0 HD2 ARG 79 - HG13 ILE 93 far 0 73 0 - 8.7-14.0 HD3 ARG 30 - HG13 ILE 93 far 0 86 0 - 10.0-14.3 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 5 assignments used, quality = 1.00: HB2 TRP 92 + HG12 ILE 93 OK 99 99 100 100 3.7-5.9 4.5/7495=93...(11) HB2 PHE 96 + HG12 ILE 93 OK 99 99 100 100 4.5-6.6 4325/4122=93, ~10031=63...(14) HD3 ARG 79 - HG12 ILE 93 far 0 75 0 - 7.9-13.1 HD2 ARG 79 - HG12 ILE 93 far 0 71 0 - 9.5-14.4 HD3 ARG 30 - HG12 ILE 93 far 0 90 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 12249 from cnoeabs.peaks (3.87, 0.75, 17.00 ppm; 4.10 A): 1 out of 7 assignments used, quality = 0.99: HA LYS 94 + QG2 ILE 93 OK 99 100 100 99 3.1-3.7 ~7507=41, ~4137=37...(23) HA ARG 91 - QG2 ILE 93 far 0 95 0 - 5.9-6.7 HA ALA 89 - QG2 ILE 93 far 0 77 0 - 6.0-7.2 HA2 GLY 100 - QG2 ILE 93 far 0 100 0 - 7.7-10.5 HA2 GLY 101 - QG2 ILE 93 far 0 100 0 - 8.6-12.9 HA3 GLY 101 - QG2 ILE 93 far 0 90 0 - 9.7-13.4 HB2 SER 102 - QG2 ILE 93 far 0 88 0 - 9.7-14.6 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 14 assignments used, quality = 0.88: QE MET 21 + HD3 LYS 94 OK 69 78 95 94 2.4-5.0 10443=41, 12253/3.0=38...(17) QE MET 21 + HD2 LYS 94 OK 61 100 65 94 3.8-5.6 10443/1.8=38...(17) HB2 MET 74 - HD3 LYS 39 far 0 42 0 - 5.0-8.3 HB3 GLU 35 - HD3 LYS 39 far 0 68 0 - 6.0-8.9 HB3 LEU 38 - HD3 LYS 39 far 0 58 0 - 6.3-9.0 HB3 GLU 43 - HD3 LYS 39 far 0 45 0 - 6.6-9.2 HB2 GLU 69 - HD3 LYS 39 far 0 60 0 - 7.3-10.5 HB3 GLU 69 - HD3 LYS 39 far 0 60 0 - 8.0-10.7 HG3 GLU 37 - HD3 LYS 39 far 0 78 0 - 8.6-11.0 HB3 GLU 88 - HD3 LYS 94 far 0 62 0 - 9.0-11.7 HG2 GLU 69 - HD3 LYS 39 far 0 60 0 - 9.4-12.9 HB3 GLU 37 - HD3 LYS 39 far 0 62 0 - 9.5-11.3 HB3 GLU 88 - HD2 LYS 94 far 0 87 0 - 9.7-12.7 HG2 GLU 44 - HD3 LYS 39 far 0 48 0 - 9.8-13.7 Violated in 4 structures by 0.03 A. Peak 12251 from cnoeabs.peaks (2.10, 1.60, 29.40 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.98: QE MET 21 + HD3 LYS 94 OK 96 100 100 96 2.4-5.0 12253/3.0=42, 10443=41...(20) QE MET 21 + HD2 LYS 94 OK 52 73 75 95 3.8-5.6 12253/3.0=42...(17) HB3 GLU 88 - HD3 LYS 94 far 0 87 0 - 9.0-11.7 HB3 GLU 88 - HD2 LYS 94 far 0 58 0 - 9.7-12.7 Violated in 1 structures by 0.01 A. Peak 12252 from cnoeabs.peaks (2.10, 1.34, 24.60 ppm; 4.65 A): 2 out of 7 assignments used, quality = 0.98: QE MET 21 + HG2 LYS 94 OK 96 100 100 97 3.6-4.8 12251/3.0=46...(17) HB3 GLU 37 + HG3 LYS 40 OK 44 67 65 100 4.2-7.9 ~8835=44, ~8962=42...(18) HG2 GLU 44 - HG3 LYS 40 poor 14 53 40 68 3.9-9.0 ~10579=20, 4.8/8973=19...(8) HB3 GLU 43 - HG3 LYS 40 poor 10 50 45 43 4.1-6.0 4.4/8973=20, 1542/3.8=10...(6) HG3 GLU 37 - HG3 LYS 40 far 0 84 0 - 6.4-8.4 HB3 LEU 38 - HG3 LYS 40 far 0 63 0 - 7.6-10.1 HB3 GLU 88 - HG2 LYS 94 far 0 88 0 - 8.5-12.9 Violated in 0 structures by 0.00 A. Peak 12253 from cnoeabs.peaks (2.10, 1.38, 24.60 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.94: QE MET 21 + HG3 LYS 94 OK 91 100 95 96 2.1-5.4 12251/3.0=42...(16) HB3 GLU 37 + HG3 LYS 40 OK 38 60 65 99 4.2-7.9 3.0/11067=41, ~8835=40...(18) HG2 GLU 44 - HG3 LYS 40 poor 19 47 40 - 3.9-9.0 HB3 GLU 43 - HG3 LYS 40 poor 13 44 30 - 4.1-6.0 HG3 GLU 37 - HG3 LYS 40 far 0 75 0 - 6.4-8.4 HB3 LEU 38 - HG3 LYS 40 far 0 55 0 - 7.6-10.1 HB3 GLU 88 - HG3 LYS 94 far 0 88 0 - 10.0-13.0 Violated in 2 structures by 0.02 A. Peak 12255 from cnoeabs.peaks (2.50, 1.34, 24.60 ppm; 5.86 A): 2 out of 8 assignments used, quality = 0.92: HG3 GLU 95 + HG2 LYS 94 OK 74 79 95 99 2.7-7.2 4.1/11012=76...(6) HG3 GLU 98 + HG2 LYS 94 OK 71 88 95 85 3.5-7.2 10465=50, 12257/1.8=41...(5) HD2 ARG 91 - HG2 LYS 94 poor 14 99 45 32 4.5-9.5 4070/10994=12...(4) HB3 ASP 36 - HG3 LYS 40 far 8 77 10 - 6.0-8.7 HB2 ASP 36 - HG3 LYS 40 far 0 77 0 - 6.9-8.9 HB2 ASP 87 - HG2 LYS 94 far 0 100 0 - 9.3-13.4 HB3 ASP 87 - HG2 LYS 94 far 0 100 0 - 9.3-12.3 HB3 TYR 4 - HG3 LYS 40 far 0 42 0 - 9.6-13.9 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 = 0.96: HG2 GLU 95 + HG3 LYS 94 OK 75 82 95 96 3.5-8.2 4.8/7533=81...(5) HG2 GLU 98 + HG3 LYS 94 OK 65 79 100 83 4.2-6.8 ~10465=46, 1.8/12257=45...(4) HG2 GLU 37 + HG3 LYS 40 OK 50 72 70 100 5.5-9.3 11067=96, ~8846=79...(9) HG2 GLU 99 - HG3 LYS 94 poor 18 88 20 - 6.7-10.9 Violated in 0 structures by 0.00 A. Peak 12257 from cnoeabs.peaks (2.50, 1.38, 24.60 ppm; 5.48 A): 2 out of 7 assignments used, quality = 0.85: HG3 GLU 95 + HG3 LYS 94 OK 66 79 90 93 2.7-8.0 7542/7533=62...(7) HG3 GLU 98 + HG3 LYS 94 OK 55 88 100 63 3.3-5.7 10465/1.8=47...(3) HD2 ARG 91 - HG3 LYS 94 far 15 99 15 - 5.1-9.4 HB3 ASP 36 - HG3 LYS 40 far 4 75 5 - 6.0-8.7 HB2 ASP 36 - HG3 LYS 40 far 0 75 0 - 6.9-8.9 HB3 TYR 4 - HG3 LYS 40 far 0 41 0 - 9.6-13.9 HB3 ASP 87 - HG3 LYS 94 far 0 100 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 12258 from cnoeabs.peaks (2.10, 2.91, 41.80 ppm; 4.11 A): 7 out of 47 assignments used, quality = 0.97: QE MET 21 + HE2 LYS 94 OK 61 97 70 89 2.0-6.3 12251/3.0=37...(9) QE MET 21 + HE3 LYS 94 OK 58 100 65 90 2.2-6.2 12251/3.0=37...(9) HB2 GLU 16 + HE3 LYS 20 OK 36 85 55 76 2.0-7.7 12146/3.0=22...(16) HG2 GLU 69 + HE2 LYS 68 OK 35 84 60 70 2.7-8.8 1.8/12281=20, ~12281=15...(13) HB2 GLU 16 + HE2 LYS 20 OK 26 85 40 76 2.5-7.1 12146/3.0=22...(16) HB3 PRO 86 + HE3 LYS 90 OK 25 68 45 82 2.4-7.6 10967/9906=40...(9) HG2 GLU 69 + HE3 LYS 68 OK 22 84 40 66 2.7-8.6 ~12281=18, 1.8/12281=17...(12) HB2 PRO 86 - HE3 LYS 90 poor 15 58 25 - 3.8-7.7 HB3 GLU 35 - HE3 LYS 66 far 13 88 15 - 3.7-8.6 HG2 GLU 69 - HE3 LYS 66 far 12 80 15 - 3.8-8.1 HB2 LEU 64 - HE2 LYS 68 far 10 98 10 - 4.4-8.9 HB3 GLU 62 - HE3 LYS 66 far 9 95 10 - 4.1-8.6 HB2 GLU 69 - HE2 LYS 68 far 8 84 10 - 4.9-9.7 HB3 GLU 35 - HE2 LYS 66 far 8 80 10 - 3.1-9.4 HB2 GLU 69 - HE3 LYS 66 far 8 80 10 - 3.8-7.7 HG2 GLU 69 - HE2 LYS 66 far 7 72 10 - 4.3-8.4 HB2 GLU 69 - HE2 LYS 66 far 7 72 10 - 4.9-7.0 HB2 LEU 64 - HE3 LYS 68 far 5 98 5 - 4.8-9.3 HB2 GLU 23 - HE3 LYS 20 far 5 97 5 - 4.8-9.8 HB3 GLU 69 - HE2 LYS 68 far 4 84 5 - 4.7-10.0 HB3 GLU 69 - HE3 LYS 66 far 4 80 5 - 4.7-8.6 HB3 GLU 62 - HE2 LYS 66 far 0 88 0 - 5.2-8.0 HB2 GLU 69 - HE3 LYS 68 far 0 84 0 - 5.2-9.8 HB3 GLU 69 - HE3 LYS 68 far 0 84 0 - 5.3-10.0 HB2 GLU 23 - HE2 LYS 20 far 0 97 0 - 5.7-10.2 HB3 GLU 69 - HE2 LYS 66 far 0 72 0 - 5.8-8.2 QE MET 21 - HE3 LYS 90 far 0 68 0 - 5.8-8.3 QE MET 21 - HE2 LYS 20 far 0 100 0 - 6.0-9.4 HB3 PRO 86 - HE2 LYS 20 far 0 100 0 - 6.7-12.3 QE MET 21 - HE3 LYS 20 far 0 100 0 - 6.8-9.3 HB2 GLU 16 - HE3 LYS 90 far 0 52 0 - 7.2-12.2 HB3 PRO 86 - HE3 LYS 20 far 0 100 0 - 7.2-12.2 HB3 LEU 38 - HE2 LYS 66 far 0 69 0 - 7.3-12.8 HB3 LEU 38 - HE3 LYS 66 far 0 76 0 - 7.4-13.2 HB3 GLU 88 - HE3 LYS 90 far 0 54 0 - 7.5-10.0 HB2 PRO 86 - HE2 LYS 20 far 0 93 0 - 7.7-13.1 HB2 PRO 86 - HE3 LYS 20 far 0 93 0 - 8.0-12.8 HB2 LEU 64 - HE3 LYS 66 far 0 95 0 - 8.0-10.8 HG3 GLU 104 - HE2 LYS 68 far 0 100 0 - 8.5-26.7 HB VAL 83 - HE3 LYS 90 far 0 64 0 - 8.6-10.7 HG3 GLU 104 - HE3 LYS 68 far 0 100 0 - 8.8-25.1 HB2 LEU 64 - HE2 LYS 66 far 0 88 0 - 8.8-10.4 HB3 GLU 88 - HE3 LYS 94 far 0 88 0 - 9.3-13.9 HB3 GLU 62 - HE2 LYS 68 far 0 98 0 - 9.4-14.3 HB3 GLU 62 - HE3 LYS 68 far 0 98 0 - 9.6-14.4 HB2 GLU 23 - HE2 LYS 94 far 0 93 0 - 9.8-16.4 HB3 GLU 88 - HE2 LYS 94 far 0 83 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 12259 from cnoeabs.peaks (2.10, 2.92, 41.80 ppm; 4.11 A): 7 out of 54 assignments used, quality = 0.97: QE MET 21 + HE2 LYS 94 OK 63 100 70 90 2.0-6.3 12251/3.0=37...(9) QE MET 21 + HE3 LYS 94 OK 57 98 65 90 2.2-6.2 12251/3.0=37...(9) HB2 GLU 16 + HE3 LYS 20 OK 35 83 55 76 2.0-7.7 12146/3.0=22...(16) HB3 PRO 86 + HE3 LYS 90 OK 34 90 45 84 2.4-7.6 10967/9906=42...(10) HG2 GLU 69 + HE2 LYS 68 OK 33 78 60 70 2.7-8.8 1.8/12281=24, ~12281=15...(12) HB2 GLU 16 + HE2 LYS 20 OK 25 82 40 77 2.5-7.1 12146/3.0=22...(17) HG2 GLU 69 + HE3 LYS 68 OK 20 76 40 67 2.7-8.6 1.8/12281=20, ~12281=18...(11) HB2 PRO 86 - HE3 LYS 90 poor 20 80 25 - 3.8-7.7 HB3 GLU 69 - HE3 LYS 73 poor 13 50 25 - 3.1-8.2 HB3 GLU 35 - HE3 LYS 66 far 11 73 15 - 3.7-8.6 HG2 GLU 69 - HE3 LYS 66 far 10 65 15 - 3.8-8.1 HB2 LEU 64 - HE2 LYS 68 far 9 94 10 - 4.4-8.9 HB3 GLU 62 - HE3 LYS 66 far 8 81 10 - 4.1-8.6 HB2 GLU 69 - HE2 LYS 68 far 8 78 10 - 4.9-9.7 HB2 GLU 69 - HE3 LYS 66 far 6 65 10 - 3.8-7.7 HB3 GLU 35 - HE2 LYS 66 far 6 60 10 - 3.1-9.4 HG2 GLU 69 - HE2 LYS 66 far 5 53 10 - 4.3-8.4 HB2 GLU 69 - HE2 LYS 66 far 5 53 10 - 4.9-7.0 HB2 GLU 69 - HE3 LYS 73 far 5 50 10 - 4.0-9.1 HB2 GLU 23 - HE3 LYS 20 far 5 95 5 - 4.8-9.8 HB2 LEU 64 - HE3 LYS 68 far 5 92 5 - 4.8-9.3 HB3 GLU 69 - HE2 LYS 68 far 4 78 5 - 4.7-10.0 HB3 GLU 69 - HE3 LYS 66 far 3 65 5 - 4.7-8.6 HB3 GLU 62 - HE2 LYS 66 far 0 67 0 - 5.2-8.0 HB2 GLU 69 - HE3 LYS 68 far 0 76 0 - 5.2-9.8 HB2 MET 74 - HE3 LYS 73 far 0 35 0 - 5.3-10.5 HB3 GLU 69 - HE3 LYS 68 far 0 76 0 - 5.3-10.0 HB2 GLU 23 - HE2 LYS 20 far 0 94 0 - 5.7-10.2 HG2 GLU 69 - HE3 LYS 73 far 0 50 0 - 5.7-11.0 HB3 GLU 69 - HE2 LYS 66 far 0 53 0 - 5.8-8.2 QE MET 21 - HE3 LYS 90 far 0 90 0 - 5.8-8.3 QE MET 21 - HE2 LYS 20 far 0 99 0 - 6.0-9.4 HB3 PRO 86 - HE2 LYS 20 far 0 98 0 - 6.7-12.3 QE MET 21 - HE3 LYS 20 far 0 99 0 - 6.8-9.3 HB2 GLU 16 - HE3 LYS 90 far 0 72 0 - 7.2-12.2 HB3 PRO 86 - HE3 LYS 20 far 0 99 0 - 7.2-12.2 HB3 LEU 38 - HE2 LYS 66 far 0 50 0 - 7.3-12.8 HB3 LEU 38 - HE3 LYS 66 far 0 62 0 - 7.4-13.2 HB3 GLU 88 - HE3 LYS 90 far 0 75 0 - 7.5-10.0 HB3 GLU 35 - HE3 LYS 73 far 0 57 0 - 7.6-14.3 HB2 PRO 86 - HE2 LYS 20 far 0 90 0 - 7.7-13.1 HB2 PRO 86 - HE3 LYS 20 far 0 91 0 - 8.0-12.8 HB2 LEU 64 - HE3 LYS 66 far 0 81 0 - 8.0-10.8 HG3 GLU 104 - HE2 LYS 68 far 0 97 0 - 8.5-26.7 HB VAL 83 - HE3 LYS 90 far 0 86 0 - 8.6-10.7 HB2 GLU 75 - HE3 LYS 73 far 0 39 0 - 8.6-12.4 HG3 GLU 104 - HE3 LYS 68 far 0 95 0 - 8.8-25.1 HB2 LEU 64 - HE2 LYS 66 far 0 67 0 - 8.8-10.4 HB3 GLU 88 - HE3 LYS 94 far 0 84 0 - 9.3-13.9 HB3 GLU 62 - HE2 LYS 68 far 0 94 0 - 9.4-14.3 HB3 LEU 38 - HE3 LYS 73 far 0 48 0 - 9.5-15.1 HB3 GLU 62 - HE3 LYS 68 far 0 92 0 - 9.6-14.4 HB2 GLU 23 - HE2 LYS 94 far 0 97 0 - 9.8-16.4 HB3 GLU 88 - HE2 LYS 94 far 0 88 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 12266 from cnoeabs.peaks (8.06, 2.04, 29.40 ppm; 4.09 A): 2 out of 11 assignments used, quality = 0.60: H GLY 101 + HB3 GLU 99 OK 37 63 95 62 2.3-5.6 10099/3.0=24...(9) H GLY 101 + HB2 GLU 99 OK 37 63 95 62 2.4-5.2 10099/3.0=24...(9) H SER 102 - HB3 GLU 99 poor 15 100 65 23 3.1-8.2 4.6/10103=16, 7627/4.7=4...(4) H SER 102 - HB2 GLU 99 poor 13 100 60 22 3.0-8.1 4.6/10103=16, 7627/4.7=4...(4) H ARG 46 - HB3 GLU 43 far 0 35 0 - 5.1-5.8 H GLY 101 - HB3 GLU 98 far 0 61 0 - 5.2-8.4 H GLY 101 - HB2 GLU 98 far 0 61 0 - 5.7-8.5 H SER 102 - HB3 GLU 98 far 0 99 0 - 6.0-11.9 H ARG 46 - HB3 GLU 48 far 0 40 0 - 6.0-6.9 H SER 102 - HB2 GLU 98 far 0 99 0 - 6.6-11.7 H LYS 39 - HB3 GLU 43 far 0 52 0 - 7.1-8.3 Violated in 1 structures by 0.03 A. Peak 12267 from cnoeabs.peaks (8.06, 2.04, 29.40 ppm; 4.09 A): 2 out of 11 assignments used, quality = 0.60: H GLY 101 + HB3 GLU 99 OK 37 63 95 62 2.3-5.6 10099/3.0=24...(9) H GLY 101 + HB2 GLU 99 OK 37 63 95 62 2.4-5.2 10099/3.0=24...(9) H SER 102 - HB3 GLU 99 poor 15 100 65 23 3.1-8.2 4.6/10103=16, 7627/4.7=4...(4) H SER 102 - HB2 GLU 99 poor 13 100 60 22 3.0-8.1 4.6/10103=16, 7627/4.7=4...(4) H ARG 46 - HB3 GLU 43 far 0 35 0 - 5.1-5.8 H GLY 101 - HB3 GLU 98 far 0 61 0 - 5.2-8.4 H GLY 101 - HB2 GLU 98 far 0 61 0 - 5.7-8.5 H SER 102 - HB3 GLU 98 far 0 99 0 - 6.0-11.9 H ARG 46 - HB3 GLU 48 far 0 40 0 - 6.0-6.9 H SER 102 - HB2 GLU 98 far 0 99 0 - 6.6-11.7 H LYS 39 - HB3 GLU 43 far 0 52 0 - 7.1-8.3 Violated in 1 structures by 0.03 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 8 assignments used, quality = 0.74: HB ILE 52 + HA ILE 52 OK 68 68 100 100 2.4-2.9 3.0=100 HB3 LYS 53 + HA ILE 52 OK 21 92 25 90 4.4-4.8 3.9/6868=47...(15) HD2 ARG 81 - HA THR 80 far 9 58 15 - 3.8-6.8 HB2 LEU 2 - HA ILE 52 far 0 100 0 - 4.9-6.1 HB3 LEU 70 - HA THR 80 far 0 67 0 - 8.6-11.1 HD2 LYS 47 - HA ILE 52 far 0 85 0 - 8.9-13.0 HD3 LYS 47 - HA ILE 52 far 0 87 0 - 9.2-13.8 HB2 GLU 28 - HA ILE 52 far 0 63 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 12272 from cnoeabs.peaks (0.88, 5.34, 59.36 ppm; 4.99 A): 1 out of 10 assignments used, quality = 1.00: QD1 LEU 2 + HA ILE 52 OK 100 100 100 100 3.4-4.4 8049=88, 12039/3.8=80...(19) QG2 ILE 76 - HA ILE 52 poor 19 100 25 76 5.3-6.9 10640/4.1=33...(8) QD2 LEU 64 - HA THR 80 far 3 57 5 - 5.8-6.9 QD1 LEU 38 - HA THR 80 far 0 55 0 - 6.0-8.6 QD1 LEU 103 - HA THR 80 far 0 60 0 - 7.1-17.5 HG13 ILE 8 - HA THR 80 far 0 69 0 - 7.4-10.0 QD1 LEU 103 - HA ILE 52 far 0 93 0 - 8.9-16.2 QG1 VAL 32 - HA THR 80 far 0 54 0 - 8.9-9.8 QG2 ILE 76 - HA THR 80 far 0 70 0 - 8.9-10.1 HG13 ILE 7 - HA THR 80 far 0 67 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 12273 from cnoeabs.peaks (0.81, 5.34, 59.36 ppm; 3.75 A): 2 out of 14 assignments used, quality = 1.00: QD2 LEU 2 + HA ILE 52 OK 99 100 100 99 1.9-2.6 12040/3.8=50...(21) QG2 ILE 52 + HA ILE 52 OK 70 70 100 100 2.8-3.2 3.2=100 QD1 LEU 57 - HA THR 80 poor 19 63 40 74 4.0-6.2 9736/7311=36...(7) QD2 LEU 57 - HA THR 80 poor 15 61 40 60 4.1-5.8 10667/9299=20...(7) QD2 LEU 38 - HA THR 80 far 0 67 0 - 6.1-8.3 QD2 LEU 103 - HA THR 80 far 0 64 0 - 7.4-16.4 QD1 ILE 76 - HA ILE 52 far 0 98 0 - 7.5-9.5 QD1 LEU 70 - HA THR 80 far 0 69 0 - 7.7-11.3 QD2 LEU 103 - HA ILE 52 far 0 97 0 - 7.8-14.8 QG2 VAL 32 - HA THR 80 far 0 60 0 - 8.0-9.2 QG2 ILE 8 - HA THR 80 far 0 52 0 - 8.3-9.2 QG2 ILE 7 - HA THR 80 far 0 64 0 - 9.0-10.1 QD2 LEU 70 - HA THR 80 far 0 69 0 - 9.6-11.1 QG2 ILE 52 - HA THR 80 far 0 41 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 12274 from cnoeabs.peaks (0.77, 1.70, 43.59 ppm; 3.61 A): 1 out of 6 assignments used, quality = 0.63: QD2 LEU 2 + HB2 LEU 2 OK 63 63 100 100 2.4-3.2 3.1=100 QG2 ILE 52 - HB2 LEU 2 far 0 100 0 - 6.3-7.7 QD1 LEU 27 - HB2 LEU 2 far 0 100 0 - 6.6-9.2 QG1 VAL 54 - HB2 LEU 2 far 0 99 0 - 7.9-10.1 QG2 ILE 93 - HB2 LEU 2 far 0 91 0 - 9.1-12.1 QD1 LEU 6 - HB2 LEU 2 far 0 100 0 - 9.8-12.4 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 4 assignments used, quality = 0.60: QD1 ILE 52 + HB2 LEU 2 OK 60 100 60 100 4.0-6.1 2.1/8051=76, 4.1/8046=52...(20) QD2 LEU 27 - HB2 LEU 2 poor 18 73 25 - 4.4-7.2 QD2 LEU 6 - HB2 LEU 2 far 0 99 0 - 9.3-13.1 QG2 VAL 78 - HB2 LEU 2 far 0 87 0 - 9.7-13.7 Violated in 19 structures by 0.85 A. Peak 12277 from cnoeabs.peaks (2.02, 1.70, 43.59 ppm; 5.80 A): 2 out of 6 assignments used, quality = 0.86: HB3 MET 1 + HB2 LEU 2 OK 63 98 65 100 5.4-7.5 3.0/8007=79, ~10355=55...(17) HB3 GLU 48 + HB2 LEU 2 OK 62 73 85 100 5.2-7.5 ~9038=63, 9177/12275=58...(18) QE MET 1 - HB2 LEU 2 poor 20 59 35 96 5.6-7.5 5.3/8007=56...(11) HB2 GLN 50 - HB2 LEU 2 far 0 99 0 - 7.1-11.3 HB3 GLU 44 - HB2 LEU 2 far 0 96 0 - 9.3-13.3 HB2 GLU 44 - HB2 LEU 2 far 0 96 0 - 9.3-13.1 Violated in 4 structures by 0.05 A. Peak 12278 from cnoeabs.peaks (8.47, 3.81, 59.95 ppm; 5.20 A): 2 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 86 87 100 98 4.6-5.6 4.8/8685=68, 4.0/8512=41...(9) H ARG 79 - HA LYS 68 far 0 85 0 - 6.5-8.1 H ILE 7 - HA ARG 19 far 0 95 0 - 7.1-9.0 H THR 31 - HA ARG 19 far 0 89 0 - 7.7-8.9 H VAL 54 - HA LYS 68 far 0 96 0 - 8.8-10.5 H VAL 32 - HA ARG 19 far 0 99 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 12279 from cnoeabs.peaks (0.47, 1.33, 44.08 ppm; 5.66 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 3 + HB3 LEU 27 OK 96 96 100 100 4.2-5.3 10137/3.1=87...(17) QD2 LEU 55 - HB3 LEU 27 poor 7 52 40 34 5.8-7.7 10014/10320=17...(3) QD1 LEU 55 - HB3 LEU 27 far 0 67 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 12280 from cnoeabs.peaks (2.96, 2.13, 35.87 ppm; 4.53 A): 2 out of 6 assignments used, quality = 0.64: HB3 PHE 45 + HG2 GLU 44 OK 42 93 50 89 4.7-7.6 2.5/8990=51, 3.7/6726=39...(8) HB2 PHE 45 + HG2 GLU 44 OK 39 76 55 94 4.2-6.8 2.5/8990=51, 3.7/6726=39...(9) HE2 LYS 47 - HG2 GLU 44 far 9 88 10 - 4.1-9.5 HE3 LYS 47 - HG2 GLU 44 far 4 88 5 - 4.5-10.3 HE3 LYS 73 - HG2 GLU 69 far 0 99 0 - 5.7-11.0 HE2 LYS 73 - HG2 GLU 69 far 0 100 0 - 6.4-10.2 Violated in 10 structures by 0.75 A. Peak 12281 from cnoeabs.peaks (2.94, 2.34, 35.87 ppm; 4.16 A): 2 out of 20 assignments used, quality = 0.44: HE2 LYS 68 + HG3 GLU 69 OK 27 85 50 64 2.9-7.8 3.6/10185=22...(11) HE3 LYS 68 + HG3 GLU 69 OK 23 82 45 62 3.4-8.0 3.6/10185=22...(10) HE2 LYS 47 - HG2 GLU 48 poor 17 51 50 68 2.8-8.0 9045/1.8=20...(9) HE3 LYS 12 - HG2 GLU 16 poor 14 72 20 - 3.4-9.2 HE3 LYS 47 - HG2 GLU 48 poor 14 51 40 68 2.9-7.4 ~9045=17, 3.8/10186=16...(9) HE3 LYS 20 - HG2 GLU 16 far 13 84 15 - 4.5-9.9 HE2 LYS 20 - HG2 GLU 16 far 12 83 15 - 3.6-9.7 HB3 PHE 45 - HG2 GLU 48 far 10 64 15 - 4.8-8.0 HE2 LYS 47 - HG3 GLU 44 far 7 50 15 - 2.8-9.5 HE3 LYS 47 - HG3 GLU 44 far 5 50 10 - 4.1-9.0 HB3 PHE 45 - HG3 GLU 44 far 3 63 5 - 4.8-8.3 HE2 LYS 73 - HG3 GLU 69 far 0 95 0 - 5.3-10.2 HE3 LYS 66 - HG3 GLU 69 far 0 69 0 - 5.5-8.7 HE3 LYS 73 - HG3 GLU 69 far 0 98 0 - 5.8-10.8 HE3 LYS 90 - HG2 GLU 16 far 0 97 0 - 5.8-13.9 HE3 LYS 13 - HG2 GLU 16 far 0 83 0 - 6.0-9.4 HE2 LYS 13 - HG2 GLU 16 far 0 80 0 - 6.4-10.6 HB2 ASN 51 - HG2 GLU 48 far 0 91 0 - 8.0-11.3 HG2 MET 21 - HG2 GLU 16 far 0 97 0 - 8.9-12.7 HE3 LYS 24 - HG2 GLU 16 far 0 77 0 - 9.5-16.5 Violated in 11 structures by 0.93 A. Peak 12282 from cnoeabs.peaks (7.43, 2.22, 29.86 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.52: HE3 TRP 92 + HB2 GLU 95 OK 52 60 90 96 3.4-8.5 10317/4092=60...(6) H ARG 91 - HB2 GLU 95 far 0 34 0 - 6.5-9.5 H ALA 89 - HB2 GLU 95 far 0 58 0 - 9.2-12.0 Violated in 3 structures by 0.33 A. Peak 12283 from cnoeabs.peaks (0.87, 2.38, 33.69 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.22: QD1 LEU 2 + HG2 GLN 50 OK 22 74 30 98 3.9-8.0 10629/2.9=77...(12) QG2 ILE 76 - HG2 GLN 50 far 0 74 0 - 7.1-9.4 QD1 LEU 103 - HG2 GLN 50 far 0 73 0 - 9.3-18.7 Violated in 18 structures by 1.14 A. Peak 12284 from cnoeabs.peaks (4.42, 2.67, 39.58 ppm; 5.40 A): 1 out of 3 assignments used, quality = 0.95: HA GLN 50 + HB3 ASN 51 OK 95 95 100 100 4.5-5.4 3.6/6836=91, 9129/3.5=62...(9) HA GLU 48 - HB3 ASN 51 far 10 98 10 - 5.7-8.5 HA SER 102 - HB3 ASN 51 far 0 68 0 - 8.7-15.5 Violated in 1 structures by 0.00 A. Peak 12285 from cnoeabs.peaks (6.91, 2.83, 41.80 ppm; 5.43 A): 0 out of 4 assignments used, quality = 0.00: HD1 TRP 92 - HE2 LYS 90 far 0 51 0 - 7.0-10.0 HD21 ASN 60 - HE3 LYS 82 far 0 28 0 - 7.7-10.6 HD1 TRP 92 - HE3 LYS 82 far 0 26 0 - 8.4-13.3 HE21 GLN 50 - HE2 LYS 53 far 0 97 0 - 9.5-15.5 Violated in 20 structures by 2.06 A. Peak 12288 from cnoeabs.peaks (2.10, 1.60, 27.82 ppm; 4.88 A): 3 out of 15 assignments used, quality = 0.83: HB3 GLU 35 + HD2 LYS 66 OK 55 91 65 93 3.6-7.9 2.9/12289=67, ~10434=29...(12) HB2 GLU 69 + HD2 LYS 66 OK 51 85 70 86 4.8-7.6 ~10798=37, 3102/5.1=36...(11) HB2 GLU 16 + HG2 ARG 19 OK 22 67 35 96 4.0-7.5 3.0/8503=40, ~798=26...(15) HB3 GLU 62 - HD2 LYS 66 poor 20 98 25 80 3.9-8.8 2.9/12300=33...(9) HG2 GLU 69 - HD2 LYS 66 far 13 85 15 - 4.8-7.4 HB2 GLU 23 - HG2 ARG 19 far 4 80 5 - 5.2-9.6 HB3 GLU 69 - HD2 LYS 66 far 0 85 0 - 5.8-9.0 HB3 LEU 38 - HD2 LYS 66 far 0 79 0 - 7.2-10.9 HG3 GLU 28 - HG2 ARG 19 far 0 47 0 - 7.4-12.2 QE MET 21 - HG2 ARG 19 far 0 87 0 - 7.9-9.7 HG2 GLU 28 - HG2 ARG 19 far 0 47 0 - 8.0-13.2 HB2 LEU 64 - HD2 LYS 66 far 0 99 0 - 8.1-10.3 HB2 PRO 86 - HG2 ARG 19 far 0 77 0 - 9.7-12.3 HB3 PRO 86 - HG2 ARG 19 far 0 87 0 - 9.7-12.5 HG3 GLU 37 - HD2 LYS 66 far 0 99 0 - 10.0-15.0 Violated in 2 structures by 0.03 A. Peak 12289 from cnoeabs.peaks (2.19, 1.60, 27.82 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.32: HG2 GLU 35 + HD2 LYS 66 OK 32 100 40 81 4.7-10.2 2.9/12288=25, ~10434=22...(13) HG3 GLU 35 - HD2 LYS 66 poor 20 100 20 - 4.2-9.4 HB3 GLU 16 - HG2 ARG 19 far 9 62 15 - 4.0-7.6 HB2 GLU 63 - HD2 LYS 66 far 0 100 0 - 6.6-9.1 Violated in 19 structures by 1.76 A. Peak 12290 from cnoeabs.peaks (2.27, 1.60, 27.82 ppm; 5.38 A): 2 out of 7 assignments used, quality = 0.94: HG2 GLU 62 + HD2 LYS 66 OK 77 100 80 97 3.1-7.0 12300=45, 1.8/12300=36...(15) HG3 GLU 62 + HD2 LYS 66 OK 72 100 75 96 2.3-8.0 1.8/12300=43, 12300=38...(15) HG3 GLU 16 - HG2 ARG 19 far 8 56 15 - 5.7-8.2 HG2 GLU 63 - HD2 LYS 66 far 4 77 5 - 5.7-10.0 HG2 GLU 23 - HG2 ARG 19 lone 3 86 75 5 3.8-7.1 10470/8503=3 HG2 GLU 17 - HG2 ARG 19 far 0 74 0 - 6.6-10.7 HB3 GLN 72 - HD2 LYS 66 far 0 77 0 - 9.5-12.8 Violated in 4 structures by 0.07 A. Peak 12291 from cnoeabs.peaks (2.49, 1.58, 27.71 ppm; 5.05 A): 0 out of 5 assignments used, quality = 0.00: HG3 GLU 23 - HG2 ARG 19 poor 20 100 20 - 2.5-8.3 HG3 GLU 63 - HD2 LYS 66 far 0 62 0 - 6.0-10.0 HB2 ASP 36 - HD2 LYS 66 far 0 76 0 - 8.7-14.7 HB2 ASP 61 - HD2 LYS 66 far 0 71 0 - 8.7-12.3 HB3 ASP 36 - HD2 LYS 66 far 0 75 0 - 9.3-15.4 Violated in 17 structures by 0.95 A. Peak 12292 from cnoeabs.peaks (4.38, 0.78, 26.58 ppm; 5.13 A): 2 out of 4 assignments used, quality = 0.87: HA ASN 26 + QD1 LEU 27 OK 65 76 85 100 5.4-6.1 6434/4.7=65, ~8618=51...(16) HA ALA 25 + QD1 LEU 27 OK 63 63 100 100 4.2-5.3 ~8622=77, 10472/2.1=56...(16) HA MET 21 - QD1 LEU 27 far 0 67 0 - 6.3-7.5 HA SER 102 - QD1 LEU 27 far 0 93 0 - 8.2-12.1 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 3 assignments used, quality = 0.63: QD1 LEU 2 + HB3 GLN 50 OK 63 74 85 99 3.8-6.9 10629/1.8=74...(13) QG2 ILE 76 - HB3 GLN 50 far 0 73 0 - 7.4-9.3 QD2 LEU 103 - HB3 GLN 50 far 0 58 0 - 9.2-18.7 Violated in 8 structures by 0.31 A. Peak 12295 from cnoeabs.peaks (8.26, 4.10, 58.26 ppm; 4.70 A): 2 out of 5 assignments used, quality = 0.99: H GLU 23 + HA LYS 24 OK 96 98 100 98 5.1-5.4 6376/3.0=86, ~6377=43...(6) H PHE 45 + HA ARG 46 OK 62 64 100 97 4.8-5.4 6741/3.0=87, 6759/3.6=54...(7) H ALA 71 - HA LYS 66 far 0 67 0 - 5.7-7.0 H LEU 27 - HA LYS 24 far 0 88 0 - 6.1-6.6 H LYS 94 - HA LYS 24 far 0 100 0 - 9.5-10.5 Violated in 1 structures by 0.00 A. Peak 12297 from cnoeabs.peaks (0.81, 4.16, 57.75 ppm; 4.82 A): 0 out of 7 assignments used, quality = 0.00: QD2 LEU 70 - HA LYS 73 poor 19 95 20 - 5.5-6.9 QD1 ILE 76 - HA LYS 47 far 0 82 0 - 6.1-7.6 QD1 LEU 70 - HA LYS 73 far 0 94 0 - 6.3-8.7 QG2 ILE 52 - HA LYS 47 far 0 55 0 - 6.4-7.9 QD1 ILE 76 - HA LYS 73 far 0 92 0 - 7.0-7.7 QD2 LEU 2 - HA LYS 47 far 0 85 0 - 7.6-9.2 QD2 LEU 38 - HA LYS 73 far 0 91 0 - 9.9-12.5 Violated in 20 structures by 0.41 A. Peak 12298 from cnoeabs.peaks (1.41, 2.53, 33.69 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.74: QB ALA 71 + HG3 GLN 72 OK 74 74 100 100 3.9-5.0 7170/7175=85...(13) HB2 LEU 70 - HG3 GLN 72 far 0 40 0 - 7.1-9.2 HG13 ILE 76 - HG3 GLN 72 far 0 49 0 - 7.4-11.2 Violated in 1 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): 3 out of 16 assignments used, quality = 0.82: HD2 LYS 66 + HG2 GLU 62 OK 57 100 65 88 3.1-7.0 12290=31, 12290/1.8=28...(15) HD2 LYS 66 + HG3 GLU 62 OK 48 100 55 87 2.3-8.0 12290/1.8=29, 12290=29...(15) HB3 LEU 29 + HG2 GLU 23 OK 21 55 45 84 4.4-6.3 10464/1.8=68...(3) HD2 LYS 94 - HG2 GLU 95 poor 19 74 25 - 4.6-8.3 HG2 ARG 19 - HG2 GLU 23 poor 18 50 35 - 3.8-7.1 HD3 LYS 94 - HG2 GLU 95 far 14 93 15 - 4.5-8.7 HG2 LYS 24 - HG2 GLU 23 far 0 51 0 - 6.4-8.8 HG LEU 103 - HG2 GLU 95 far 0 84 0 - 7.2-17.3 HB2 ARG 30 - HG2 GLU 37 far 0 72 0 - 7.3-9.2 HG LEU 27 - HG2 GLU 23 far 0 55 0 - 7.5-9.0 HB3 GLU 28 - HG2 GLU 23 far 0 29 0 - 7.8-10.6 HD3 LYS 82 - HG2 GLU 62 far 0 71 0 - 8.6-11.6 HD3 LYS 82 - HG3 GLU 62 far 0 71 0 - 8.6-11.4 HB2 ARG 79 - HG2 GLU 95 far 0 93 0 - 9.1-13.4 HB2 LEU 103 - HG2 GLU 95 far 0 87 0 - 9.4-17.1 HG LEU 27 - HG2 GLU 95 far 0 93 0 - 9.5-12.6 Violated in 6 structures by 0.11 A. Peak 12301 from cnoeabs.peaks (3.18, 4.41, 56.92 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: HB2 HIS 106 + HA HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 19 - HA MET 21 far 0 98 0 - 9.2-10.2 HD2 ARG 19 - HA MET 21 far 0 98 0 - 9.5-11.0 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 0 assignments used, quality = 0.00: Peak 12305 from cnoeabs.peaks (4.16, 0.81, 23.49 ppm; 5.51 A): 2 out of 5 assignments used, quality = 1.00: HA MET 1 + QD2 LEU 2 OK 100 100 100 100 2.9-3.6 8010=99, 8008/2.1=80...(18) HA GLU 104 + QD2 LEU 103 OK 28 28 100 99 4.4-6.2 3.0/7661=82, ~7659=53...(8) HA GLU 98 - QD2 LEU 103 far 0 45 0 - 7.3-14.2 HA LYS 47 - QD2 LEU 2 far 0 91 0 - 7.6-9.2 HA GLN 72 - QD2 LEU 103 far 0 55 0 - 8.4-17.7 Violated in 0 structures by 0.00 A. Peak 12306 from cnoeabs.peaks (4.09, 2.98, 41.89 ppm; 3.82 A): 2 out of 16 assignments used, quality = 0.92: HA LYS 24 + HE3 LYS 24 OK 72 77 95 99 2.3-5.0 1096/3.7=50, 1118/3.0=31...(63) HA LYS 24 + HE2 LYS 24 OK 72 77 95 99 2.4-5.1 1096/3.7=50, 1118/3.0=31...(63) HA LYS 20 - HE3 LYS 24 far 4 42 10 - 3.7-9.7 HA LYS 20 - HE2 LYS 24 far 4 42 10 - 3.9-9.4 HA ARG 46 - HE3 LYS 47 far 0 91 0 - 5.0-9.2 HA ARG 46 - HE2 LYS 47 far 0 91 0 - 5.2-9.2 HA GLU 17 - HE2 LYS 13 far 0 41 0 - 6.4-11.8 HB2 SER 49 - HE2 LYS 47 far 0 68 0 - 7.4-11.6 HB2 SER 49 - HE3 LYS 47 far 0 68 0 - 7.7-11.8 HA GLU 17 - HE3 LYS 24 far 0 44 0 - 7.7-13.7 HA GLU 17 - HE3 LYS 13 far 0 38 0 - 8.0-11.6 HA PRO 86 - HE2 LYS 13 far 0 76 0 - 8.3-12.2 HA GLU 17 - HE2 LYS 24 far 0 44 0 - 8.6-13.0 HA PRO 86 - HE3 LYS 13 far 0 71 0 - 9.2-12.3 HA GLU 17 - HE2 LYS 12 far 0 36 0 - 9.5-14.1 HA GLU 17 - HE3 LYS 12 far 0 48 0 - 9.6-14.1 Violated in 7 structures by 0.02 A. Peak 12307 from cnoeabs.peaks (8.04, 0.46, 24.71 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.93: H GLY 101 + QD1 LEU 3 OK 91 91 100 100 4.4-6.6 3.6/12051=96...(10) H SER 102 + QD1 LEU 3 OK 25 96 40 65 6.3-9.7 4.6/10104=59...(3) Violated in 1 structures by 0.00 A. Peak 12308 from cnoeabs.peaks (1.61, 2.20, 36.41 ppm; 4.29 A): 1 out of 19 assignments used, quality = 0.23: HD3 LYS 39 + HG2 GLU 43 OK 23 64 45 79 4.3-7.1 ~10574=34, 3.0/10531=30...(8) HD2 LYS 66 - HG3 GLU 35 poor 20 100 20 - 4.2-9.4 HD3 LYS 39 - HG3 GLU 35 poor 17 70 25 - 3.6-9.6 HD3 LYS 39 - HG2 GLU 35 poor 14 70 20 - 3.6-8.3 HD2 LYS 66 - HG2 GLU 35 far 5 100 5 - 4.7-10.2 HB2 LYS 40 - HG2 GLU 43 far 3 54 5 - 5.2-7.1 HG3 LYS 73 - HG2 GLU 75 far 0 47 0 - 6.3-8.8 HG3 LYS 73 - HG3 GLU 75 far 0 51 0 - 6.8-8.1 HB ILE 76 - HG2 GLU 43 far 0 58 0 - 6.9-9.7 HB ILE 76 - HG3 GLU 75 far 0 27 0 - 7.0-8.0 HB2 LYS 40 - HG2 GLU 35 far 0 59 0 - 7.2-9.8 HB ILE 76 - HG2 GLU 75 far 0 25 0 - 7.2-7.9 HB2 LYS 40 - HG3 GLU 35 far 0 59 0 - 7.3-9.4 HG3 LYS 73 - HG3 GLU 35 far 0 99 0 - 7.4-12.8 HG3 LYS 47 - HG2 GLU 43 far 0 91 0 - 7.7-10.4 HG3 LYS 73 - HG2 GLU 43 far 0 95 0 - 8.3-13.3 HG3 LYS 73 - HG2 GLU 35 far 0 99 0 - 8.6-12.4 HG2 LYS 68 - HG2 GLU 35 far 0 68 0 - 8.7-14.6 HD3 LYS 39 - HG3 GLU 75 far 0 30 0 - 9.3-13.2 Violated in 19 structures by 1.22 A. Peak 12309 from cnoeabs.peaks (1.68, 2.20, 36.41 ppm; 4.08 A): 3 out of 37 assignments used, quality = 0.69: HD2 LYS 39 + HG3 GLU 35 OK 37 81 50 92 4.1-7.9 3.0/10532=59...(17) HG LEU 70 + HG3 GLU 35 OK 34 96 40 88 4.0-7.4 2.1/9548=26, ~9548=19...(16) HD2 LYS 39 + HG2 GLU 35 OK 25 81 35 89 3.5-7.9 ~10532=41, 3.6/10576=17...(18) HG LEU 70 - HG2 GLU 35 far 14 96 15 - 3.7-7.5 HB3 LEU 70 - HG2 GLU 35 far 4 71 5 - 4.7-8.4 HB3 LEU 70 - HG3 GLU 35 far 4 71 5 - 4.9-8.6 HB3 LYS 40 - HG2 GLU 43 far 0 97 0 - 5.1-7.1 HB2 LYS 40 - HG2 GLU 43 far 0 60 0 - 5.2-7.1 HD2 LYS 39 - HG2 GLU 43 far 0 74 0 - 5.2-7.4 HD3 LYS 66 - HG3 GLU 35 far 0 93 0 - 5.4-8.7 HD2 LYS 73 - HG3 GLU 75 far 0 48 0 - 5.6-9.6 HD3 LYS 73 - HG3 GLU 35 far 0 95 0 - 5.6-13.0 HD3 LYS 66 - HG2 GLU 35 far 0 93 0 - 5.6-9.1 HD2 LYS 73 - HG2 GLU 75 far 0 44 0 - 5.8-9.7 HD3 LYS 73 - HG3 GLU 75 far 0 46 0 - 5.9-9.8 HD3 LYS 73 - HG2 GLU 75 far 0 43 0 - 6.3-10.4 HD2 LYS 73 - HG3 GLU 35 far 0 96 0 - 6.5-13.8 HB ILE 76 - HG2 GLU 43 far 0 56 0 - 6.9-9.7 HB3 LEU 70 - HG2 GLU 43 far 0 65 0 - 6.9-10.9 HB ILE 76 - HG3 GLU 75 far 0 26 0 - 7.0-8.0 HD3 LYS 73 - HG2 GLU 35 far 0 95 0 - 7.2-12.5 HB2 LYS 40 - HG2 GLU 35 far 0 65 0 - 7.2-9.8 HB ILE 76 - HG2 GLU 75 far 0 24 0 - 7.2-7.9 HB2 LYS 40 - HG3 GLU 35 far 0 65 0 - 7.3-9.4 HD2 LYS 73 - HG2 GLU 43 far 0 91 0 - 7.4-13.3 HB3 LYS 40 - HG2 GLU 35 far 0 100 0 - 7.6-10.5 HD2 LYS 47 - HG2 GLU 43 far 0 97 0 - 7.7-11.7 HB3 LYS 40 - HG3 GLU 35 far 0 100 0 - 7.7-10.8 HD2 LYS 73 - HG2 GLU 35 far 0 96 0 - 7.9-12.7 HD3 LYS 47 - HG2 GLU 43 far 0 97 0 - 7.9-11.0 HD3 LYS 73 - HG2 GLU 43 far 0 89 0 - 8.1-14.4 HG LEU 70 - HG2 GLU 43 far 0 90 0 - 8.8-11.3 HD2 LYS 39 - HG3 GLU 75 far 0 36 0 - 9.0-14.0 HB3 LEU 70 - HG2 GLU 75 far 0 29 0 - 9.5-12.5 HD2 LYS 39 - HG2 GLU 75 far 0 33 0 - 9.6-14.8 HB3 LEU 70 - HG3 GLU 75 far 0 31 0 - 9.6-12.3 HB3 LEU 6 - HG3 GLU 35 far 0 70 0 - 9.7-13.6 Violated in 10 structures by 0.33 A. Peak 12310 from cnoeabs.peaks (1.46, 3.71, 58.70 ppm; 3.82 A): 2 out of 12 assignments used, quality = 0.98: HD3 LYS 40 + HA GLU 37 OK 94 100 95 99 2.8-5.0 3.5/1794=53, 3.5/1782=52...(21) HD2 LYS 40 + HA GLU 37 OK 74 100 75 99 2.8-5.5 3.5/1794=53, 3.5/1782=52...(20) HG LEU 38 - HA GLU 37 far 0 100 0 - 5.1-7.9 HB2 LEU 38 - HA GLU 37 far 0 100 0 - 5.6-6.6 HG2 LYS 13 - HA LEU 14 far 0 31 0 - 5.9-6.6 HG3 LYS 13 - HA LEU 14 far 0 21 0 - 6.2-6.5 HG3 LYS 39 - HA GLU 37 far 0 95 0 - 6.5-8.3 HG12 ILE 7 - HA LEU 14 far 0 25 0 - 7.0-7.9 HG2 LYS 20 - HA LEU 14 far 0 45 0 - 8.2-11.2 HG2 LYS 12 - HA LEU 14 far 0 42 0 - 8.6-9.1 QB ALA 22 - HA LEU 14 far 0 35 0 - 9.9-10.5 HB2 ARG 91 - HA LEU 14 far 0 31 0 - 10.0-12.8 Violated in 2 structures by 0.01 A. Peak 12311 from cnoeabs.peaks (7.46, 1.91, 29.24 ppm; 5.63 A): 4 out of 4 assignments used, quality = 0.94: HE ARG 19 + HB2 ARG 19 OK 59 59 100 100 2.1-4.3 4.8=100 H LYS 47 + HB2 GLU 43 OK 59 99 80 75 5.6-6.8 6757/3.0=43...(4) HE ARG 19 + HB3 ARG 19 OK 45 45 100 100 2.6-4.5 4.8=100 HE ARG 46 + HB2 GLU 43 OK 34 99 35 98 3.5-7.8 ~10171=55, ~12085=50...(8) Violated in 0 structures by 0.00 A. Peak 12312 from cnoeabs.peaks (7.46, 2.06, 29.24 ppm; 5.70 A): 1 out of 11 assignments used, quality = 0.48: HE ARG 19 + HB2 GLU 16 OK 48 95 60 84 3.4-8.0 11050/3.0=43, ~8502=30...(7) HE ARG 46 - HB3 GLU 43 poor 20 99 20 - 4.6-9.2 H LYS 47 - HB3 GLU 43 poor 14 98 25 58 6.3-7.6 6757/3.0=43, 12311/1.8=25 HD22 ASN 26 - HB2 GLU 23 poor 7 74 40 23 5.5-9.2 5.5/8620=22 HE3 TRP 92 - HB3 GLU 99 far 4 41 10 - 5.6-13.4 HE ARG 19 - HB2 GLU 23 far 4 74 5 - 6.4-11.1 HE3 TRP 92 - HB2 GLU 99 far 3 53 5 - 6.3-13.8 HE3 TRP 92 - HB2 GLU 98 far 0 57 0 - 7.0-13.2 HE3 TRP 92 - HB3 GLU 98 far 0 55 0 - 8.6-14.7 HZ2 TRP 92 - HB3 GLU 99 far 0 39 0 - 9.4-15.2 HZ2 TRP 92 - HB2 GLU 99 far 0 50 0 - 9.4-16.0 Violated in 18 structures by 0.96 A. Peak 12313 from cnoeabs.peaks (7.72, 4.07, 58.19 ppm; 4.28 A): 2 out of 7 assignments used, quality = 0.96: H SER 49 + HA ARG 46 OK 91 100 95 96 3.3-5.2 3.9/10174=57...(8) H ALA 25 + HA LYS 24 OK 61 61 100 100 3.4-3.4 3.6=100 H LEU 64 - HA LYS 66 far 0 86 0 - 6.6-7.3 H MET 21 - HA LYS 24 far 0 34 0 - 7.0-7.8 H MET 74 - HA ARG 46 far 0 85 0 - 8.5-9.9 H VAL 78 - HA ARG 46 far 0 71 0 - 8.9-10.4 H MET 74 - HA LYS 66 far 0 68 0 - 9.4-10.5 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 = 0.96: H GLN 50 + HA GLU 48 OK 96 99 100 97 3.1-4.2 6806/6798=56...(14) H ASN 51 - HA GLU 48 poor 18 88 20 - 4.1-8.0 Violated in 2 structures by 0.01 A. Peak 12315 from cnoeabs.peaks (1.67, 2.30, 29.70 ppm; 5.28 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 52 + HB2 GLU 48 OK 100 100 100 100 2.5-4.9 12316/1.8=93, 10645=79...(30) HB2 LEU 2 + HB2 GLU 48 OK 54 71 75 100 4.7-7.4 3.1/9038=72, ~9042=45...(19) HD2 LYS 47 - HB2 GLU 48 far 5 98 5 - 6.2-8.9 HD3 LYS 47 - HB2 GLU 48 far 5 98 5 - 5.9-9.7 HB3 LYS 53 - HB2 GLU 48 far 0 95 0 - 9.2-10.7 HB ILE 76 - HB2 GLU 48 far 0 87 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 12316 from cnoeabs.peaks (1.67, 2.05, 29.70 ppm; 4.64 A): 1 out of 13 assignments used, quality = 1.00: HB ILE 52 + HB3 GLU 48 OK 100 100 100 100 2.3-4.6 2.1/10643=81...(24) HB3 ARG 91 - HB3 GLU 88 poor 18 27 65 - 4.4-6.6 HD3 LYS 47 - HB3 GLU 48 far 14 96 15 - 4.6-9.0 HB2 LEU 2 - HB3 GLU 48 far 10 68 15 - 5.2-7.5 HD2 LYS 47 - HB3 GLU 48 far 5 97 5 - 5.1-8.2 HB3 LYS 53 - HB2 GLU 99 far 0 61 0 - 5.8-9.4 HB3 LYS 53 - HB3 GLU 99 far 0 57 0 - 6.1-10.4 HB3 ARG 79 - HB2 GLU 99 far 0 67 0 - 6.7-11.0 HB3 ARG 79 - HB3 GLU 99 far 0 63 0 - 7.0-11.7 HG2 PRO 86 - HB3 GLU 88 far 0 22 0 - 8.0-9.8 HB3 LYS 53 - HB3 GLU 48 far 0 93 0 - 8.7-10.3 HB ILE 76 - HB3 GLU 48 far 0 90 0 - 8.8-11.2 HB3 ARG 91 - HB2 GLU 98 far 0 55 0 - 9.0-11.7 Violated in 0 structures by 0.00 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 67 84 100 79 2.9-5.0 9678/10637=37...(9) HB VAL 58 + QG2 ILE 8 OK 65 65 100 100 3.4-4.5 ~10224=85, 10701/2.1=73...(28) HB3 TYR 41 - QG2 ILE 52 far 0 79 0 - 7.1-10.8 HG3 MET 74 - QG2 ILE 52 far 0 97 0 - 7.5-10.8 HB3 ASP 65 - QG2 ILE 8 far 0 43 0 - 8.0-10.1 HB3 TYR 41 - QG2 ILE 8 far 0 47 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 12318 from cnoeabs.peaks (2.90, 3.91, 58.27 ppm; 5.28 A): 2 out of 5 assignments used, quality = 1.00: HB2 ASN 60 + HA GLU 63 OK 100 100 100 100 4.5-6.0 9423/2767=72...(7) HE3 LYS 66 + HA GLU 63 OK 34 100 35 98 5.7-7.4 4.7/2771=69, 4.7/2884=52...(8) HE2 LYS 66 - HA GLU 63 far 10 100 10 - 5.7-7.3 HE2 LYS 68 - HA GLU 63 far 0 98 0 - 7.7-12.2 HE3 LYS 68 - HA GLU 63 far 0 99 0 - 8.3-12.4 Violated in 2 structures by 0.02 A. Peak 12319 from cnoeabs.peaks (0.80, 1.60, 27.82 ppm; 4.07 A): 4 out of 14 assignments used, quality = 0.93: QG2 ILE 15 + HG2 ARG 19 OK 70 84 85 98 2.5-5.6 8519/1.8=48, 8516/3.0=44...(12) QD1 LEU 70 + HD2 LYS 66 OK 51 96 55 96 3.7-7.2 9517/2.9=68...(15) QD2 LEU 70 + HD2 LYS 66 OK 38 100 45 84 4.2-7.5 ~9517=40, 10782/1.8=25...(12) QG2 ILE 7 + HG2 ARG 19 OK 24 87 45 61 4.0-7.6 8519/1.8=21...(9) QD1 ILE 93 - HG2 ARG 19 far 0 59 0 - 5.1-7.3 QD2 LEU 38 - HD2 LYS 66 far 0 90 0 - 5.3-9.8 QG2 ILE 8 - HD2 LYS 66 far 0 97 0 - 6.9-9.7 QD2 LEU 57 - HG2 ARG 19 far 0 86 0 - 7.3-11.3 QG2 VAL 32 - HG2 ARG 19 far 0 59 0 - 8.4-11.7 QD1 LEU 57 - HG2 ARG 19 far 0 65 0 - 9.0-12.2 QD1 LEU 27 - HG2 ARG 19 far 0 57 0 - 9.0-11.1 QG1 VAL 54 - HG2 ARG 19 far 0 45 0 - 9.3-12.6 QD1 LEU 6 - HG2 ARG 19 far 0 60 0 - 9.6-12.5 QG2 VAL 32 - HD2 LYS 66 far 0 75 0 - 9.7-12.5 Violated in 3 structures by 0.03 A. Peak 12320 from cnoeabs.peaks (0.86, 1.64, 25.26 ppm; 4.59 A): 1 out of 10 assignments used, quality = 0.99: QD2 LEU 64 + HG2 LYS 68 OK 99 100 100 99 4.3-5.3 10242/3.0=47...(27) QD1 LEU 2 - HG3 LYS 47 far 5 46 10 - 5.3-10.6 QG2 ILE 76 - HG3 LYS 47 far 0 45 0 - 6.3-8.6 QD1 LEU 38 - HG2 LYS 68 far 0 100 0 - 6.6-9.4 QD2 LEU 38 - HG2 LYS 68 far 0 70 0 - 7.1-9.7 QD2 LEU 103 - HG2 LYS 68 far 0 77 0 - 7.8-18.3 QD1 LEU 57 - HG2 LYS 68 far 0 79 0 - 8.0-11.0 QD1 LEU 103 - HG2 LYS 68 far 0 99 0 - 8.7-19.2 HG13 ILE 8 - HG2 LYS 68 far 0 75 0 - 9.3-12.3 QG2 ILE 76 - HG2 LYS 68 far 0 82 0 - 9.3-12.6 Violated in 14 structures by 0.34 A. Peak 12321 from cnoeabs.peaks (0.97, 1.35, 25.26 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.88: QG2 THR 80 + HG3 LYS 68 OK 88 98 90 100 1.9-5.2 10256/1.8=73...(23) QG2 THR 80 - HG2 LYS 39 far 0 63 0 - 8.9-11.2 HB2 ARG 81 - HG3 LYS 68 far 0 65 0 - 8.9-12.2 HG LEU 55 - HG3 LYS 68 far 0 100 0 - 9.8-13.5 Violated in 13 structures by 0.29 A. Peak 12322 from cnoeabs.peaks (3.67, 1.65, 29.52 ppm; 4.51 A): 2 out of 13 assignments used, quality = 1.00: HB THR 80 + HD3 LYS 68 OK 100 100 100 100 2.4-5.1 10788/3.0=51, ~12321=43...(25) HB THR 80 + HD2 LYS 68 OK 65 100 65 100 3.9-6.2 10788/3.0=51, ~12321=43...(25) HA LYS 90 - HD2 LYS 94 far 3 58 5 - 5.2-8.9 HA LEU 14 - HD3 LYS 20 far 0 47 0 - 7.0-11.4 HA LYS 90 - HD2 LYS 20 far 0 42 0 - 7.1-10.7 HA LYS 90 - HD3 LYS 20 far 0 47 0 - 7.2-10.9 HA LEU 14 - HD2 LYS 20 far 0 41 0 - 7.2-10.3 HA GLU 37 - HD2 LYS 39 far 0 64 0 - 7.4-9.6 HA GLU 88 - HD2 LYS 94 far 0 52 0 - 7.7-10.3 HA GLU 37 - HD3 LYS 39 far 0 59 0 - 7.8-9.6 HA LEU 42 - HD3 LYS 39 far 0 66 0 - 7.9-9.5 HA LEU 42 - HD2 LYS 39 far 0 71 0 - 8.4-10.0 HA LEU 42 - HD2 LYS 47 far 0 30 0 - 8.5-11.3 Violated in 2 structures by 0.03 A. Peak 12323 from cnoeabs.peaks (2.90, 1.70, 27.00 ppm; 5.10 A): 2 out of 10 assignments used, quality = 0.59: HE2 LYS 39 + HG LEU 70 OK 41 77 60 88 4.4-8.2 ~10821=37, 10821/2.1=36...(9) HE3 LYS 39 + HG LEU 70 OK 31 87 40 89 4.3-8.1 ~10821=37, 10821/2.1=36...(9) HE3 LYS 66 - HG LEU 70 poor 20 100 25 80 3.8-8.6 ~10782=28, 4.7/2892=27...(10) HE2 LYS 66 - HG LEU 70 poor 20 100 25 80 4.5-7.6 ~10782=28, 4.7/2892=27...(10) HE3 LYS 90 - HG2 PRO 86 poor 11 43 25 - 4.0-7.7 HE2 LYS 68 - HG LEU 70 far 0 99 0 - 8.2-12.0 HE2 LYS 20 - HG2 PRO 86 far 0 72 0 - 8.6-14.3 HE3 LYS 20 - HG2 PRO 86 far 0 71 0 - 9.1-14.1 HG2 MET 21 - HG2 PRO 86 far 0 38 0 - 9.2-12.8 HE3 LYS 68 - HG LEU 70 far 0 100 0 - 9.3-11.5 Violated in 7 structures by 0.46 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 4.1-6.4 3.0/9563=88...(18) 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 3.7-5.9 12324/1.8=85...(16) 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 = 0.94: HD2 ARG 46 + HA MET 74 OK 94 100 95 99 3.3-6.0 1.8/9013=84, 9012=62...(10) Violated in 3 structures by 0.08 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 99 3.5-6.0 1.8/12326=87, 9013=70...(9) Violated in 14 structures by 0.26 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 2.1-5.0 12329/1.8=82...(12) Violated in 6 structures by 0.07 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 2.5-4.9 12328/1.8=75...(13) Violated in 5 structures by 0.05 A. Peak 12330 from cnoeabs.peaks (4.65, 3.07, 43.09 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.74: HA LEU 55 + HD2 ARG 79 OK 59 94 65 97 2.0-6.4 12329/3.8=52...(14) HA LEU 55 + HD3 ARG 79 OK 37 94 40 98 2.5-6.5 12329/3.8=52...(15) Violated in 13 structures by 0.29 A. Peak 12331 from cnoeabs.peaks (0.85, 2.74, 41.51 ppm; 5.34 A): 1 out of 8 assignments used, quality = 1.00: QD2 LEU 64 + HE2 LYS 82 OK 100 100 100 100 2.0-5.6 10940/3.0=78...(14) QG2 VAL 32 - HE2 LYS 40 far 1 29 5 - 5.1-9.2 QD1 LEU 57 - HE2 LYS 82 far 0 81 0 - 6.9-8.6 QD2 LEU 38 - HE2 LYS 40 far 0 22 0 - 7.3-10.9 QD1 LEU 38 - HE2 LYS 40 far 0 38 0 - 7.7-10.8 QD2 LEU 38 - HE2 LYS 82 far 0 71 0 - 9.2-12.6 QD1 LEU 38 - HE2 LYS 82 far 0 100 0 - 9.6-14.1 HG13 ILE 8 - HE2 LYS 82 far 0 73 0 - 9.8-13.3 Violated in 2 structures by 0.01 A. Peak 12332 from cnoeabs.peaks (0.73, 2.74, 41.51 ppm; 5.55 A): 2 out of 10 assignments used, quality = 0.85: QD1 LEU 64 + HE2 LYS 82 OK 80 100 80 100 4.6-7.4 2.1/12331=83...(15) QG1 VAL 58 + HE2 LYS 82 OK 24 96 25 99 5.3-7.6 9761/3.9=80, ~9768=54...(12) QD1 LEU 6 - HE2 LYS 40 far 0 21 0 - 6.6-9.6 QD1 ILE 8 - HE2 LYS 82 far 0 84 0 - 7.4-10.3 HG3 ARG 81 - HE2 LYS 82 far 0 100 0 - 8.0-11.4 QD2 LEU 14 - HE2 LYS 82 far 0 82 0 - 8.2-10.4 QD1 ILE 56 - HE2 LYS 82 far 0 81 0 - 9.3-12.1 QD1 ILE 8 - HE2 LYS 40 far 0 27 0 - 9.4-13.1 QD2 LEU 42 - HE2 LYS 40 far 0 24 0 - 9.4-11.3 QG1 VAL 54 - HE2 LYS 40 far 0 27 0 - 9.4-12.7 Violated in 9 structures by 0.19 A. Peak 12333 from cnoeabs.peaks (2.44, 2.12, 31.71 ppm; 4.69 A): 2 out of 8 assignments used, quality = 0.98: HG3 GLU 17 + HB2 PRO 86 OK 89 100 95 94 2.3-6.5 10184/2.3=59, ~10436=42...(16) HG3 GLU 17 + HB3 PRO 86 OK 81 91 95 94 2.0-5.9 10184/2.3=59, ~10436=42...(15) HB2 ASP 11 - HB2 PRO 86 far 0 100 0 - 6.3-9.7 HB2 ASP 11 - HB3 PRO 86 far 0 92 0 - 7.0-9.5 HG3 MET 21 - HB3 PRO 86 far 0 57 0 - 7.2-9.6 HG3 MET 21 - HB2 PRO 86 far 0 68 0 - 7.6-10.4 HB3 MET 21 - HB2 PRO 86 far 0 65 0 - 8.0-11.7 HB3 MET 21 - HB3 PRO 86 far 0 55 0 - 8.0-10.9 Violated in 1 structures by 0.04 A. Peak 12334 from cnoeabs.peaks (2.81, 2.12, 31.71 ppm; 6.02 A): 2 out of 2 assignments used, quality = 0.92: HE2 LYS 90 + HB3 PRO 86 OK 86 92 95 99 2.4-7.1 9907/10967=80...(9) HE2 LYS 90 + HB2 PRO 86 OK 42 100 45 93 2.6-7.7 10314/4.9=73, ~12335=40...(9) Violated in 0 structures by 0.00 A. Peak 12335 from cnoeabs.peaks (2.96, 2.12, 31.71 ppm; 5.68 A): 3 out of 12 assignments used, quality = 0.84: HE3 LYS 90 + HB3 PRO 86 OK 69 78 95 93 2.4-7.6 1.8/12334=51...(10) HE3 LYS 90 + HB2 PRO 86 OK 35 90 50 79 3.8-7.7 ~12334=41, 9906/4.9=30...(8) HB3 ASP 11 + HB2 PRO 86 OK 21 65 90 36 5.1-8.3 8416/10405=11...(6) HE2 LYS 13 - HB2 PRO 86 far 10 100 10 - 6.1-11.0 HB3 ASP 11 - HB3 PRO 86 far 5 55 10 - 5.6-8.2 HE2 LYS 13 - HB3 PRO 86 far 5 92 5 - 6.1-10.9 HB2 SER 9 - HB2 PRO 86 far 0 71 0 - 6.8-10.0 HE3 LYS 13 - HB2 PRO 86 far 0 100 0 - 7.1-11.5 HG2 MET 21 - HB3 PRO 86 far 0 82 0 - 7.1-11.0 HE3 LYS 13 - HB3 PRO 86 far 0 92 0 - 7.4-11.1 HG2 MET 21 - HB2 PRO 86 far 0 94 0 - 7.7-10.2 HB2 SER 9 - HB3 PRO 86 far 0 60 0 - 7.8-9.8 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 3.8-5.7 12337/1.8=83...(20) HA TRP 92 - HG3 GLU 88 far 5 94 5 - 5.5-9.4 Violated in 7 structures by 0.05 A. Peak 12337 from cnoeabs.peaks (4.80, 2.14, 36.78 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.95: HA VAL 83 + HG2 GLU 88 OK 95 100 95 100 3.6-6.2 12223/3889=82...(24) HA TRP 92 - HG2 GLU 88 far 0 94 0 - 6.4-8.9 Violated in 10 structures by 0.27 A. Peak 12338 from cnoeabs.peaks (3.83, 2.49, 36.23 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.87: HA ARG 19 + HG3 GLU 23 OK 69 96 80 91 4.5-6.2 787/10459=47, 8513=39...(6) HA SER 97 + HG3 GLU 98 OK 38 71 55 99 5.2-6.7 3.6/7594=76...(8) HA ALA 22 + HG3 GLU 23 OK 30 100 30 100 5.4-6.7 2.1/10459=85...(8) HB3 SER 102 - HG3 GLU 98 far 0 67 0 - 7.6-16.0 HA ALA 67 - HG3 GLU 63 far 0 39 0 - 8.4-9.3 HA ALA 22 - HG3 GLU 98 far 0 73 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 14501 from cnoeabs.peaks (5.14, 6.43, 132.25 ppm; 4.51 A): 3 out of 4 assignments used, quality = 1.00: * HA TYR 4 + QD TYR 4 OK 100 100 100 100 2.3-3.2 3.7=100 HA VAL 54 + QD TYR 4 OK 96 96 100 100 3.8-4.7 10204/2.5=61...(23) HA LEU 3 + QD TYR 4 OK 94 96 100 97 2.8-4.0 99/4.5=57, 8062=28...(24) HA VAL 5 - QD TYR 4 far 0 63 0 - 5.8-5.9 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 2.3-2.5 2.5=100 HB2 TYR 41 - QD TYR 4 far 0 88 0 - 5.5-7.5 HB2 GLU 48 - QD TYR 4 far 0 100 0 - 6.4-8.2 HG2 GLU 23 - QD TYR 4 far 0 91 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 14503 from cnoeabs.peaks (2.46, 6.43, 132.25 ppm; 4.45 A): 1 out of 3 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 far 0 79 0 - 5.5-7.9 HG3 GLN 50 - QD TYR 4 far 0 82 0 - 9.2-12.5 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 2.0-2.9 3.7=100 HA GLU 44 - QD TYR 41 far 0 99 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 14509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 4.69 A): 2 out of 5 assignments used, quality = 1.00: * HB2 TYR 41 + QD TYR 41 OK 100 100 100 100 2.3-2.7 2.5=100 HG3 GLU 44 + QD TYR 41 OK 32 59 65 84 3.8-6.8 3.0/8988=44, 4.8/8984=38...(10) HB2 TYR 4 - QD TYR 41 far 0 88 0 - 6.2-7.7 HG3 GLU 43 - QD TYR 41 far 0 99 0 - 6.7-8.8 HG2 GLU 48 - QD TYR 41 far 0 93 0 - 9.9-12.7 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 2.3-2.7 2.5=100 HD2 ARG 30 + QD TYR 41 OK 60 67 90 99 3.8-5.6 ~8710=43, ~8897=35...(20) HG3 MET 74 - QD TYR 41 far 0 96 0 - 8.4-11.7 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 1.9-2.2 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 2.3-2.4 2.5=100 HB3 PHE 45 + QD PHE 45 OK 91 91 100 100 2.7-2.8 2.5=100 HE3 LYS 47 - QD PHE 45 far 14 97 15 - 5.4-10.3 HE2 LYS 47 - QD PHE 45 poor 6 97 25 24 3.7-9.1 12105/8987=20...(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 2.7-2.8 2.5=100 HB2 PHE 45 + QD PHE 45 OK 95 95 100 100 2.3-2.4 2.5=100 HE2 LYS 47 - QD PHE 45 poor 20 99 20 - 3.7-9.1 HE3 LYS 47 - QD PHE 45 far 10 99 10 - 5.4-10.3 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): 2 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.4-4.5 4.5=100 HA VAL 83 + HD1 TRP 92 OK 80 89 90 100 4.8-7.5 3.2/9796=83, 3.2/9782=65...(11) 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 3 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.5-3.6 3.9=100 HB2 PHE 96 - HD1 TRP 92 far 0 100 0 - 8.3-9.2 HD3 ARG 79 - HD1 TRP 92 far 0 82 0 - 9.6-13.9 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 1 assignment used, quality = 1.00: * HB3 TRP 92 + HD1 TRP 92 OK 100 100 100 100 3.5-3.7 3.9=100 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 3.4-6.0 9934=100, 3.0/9935=93...(14) H ARG 91 + HD1 TRP 92 OK 58 59 100 98 4.3-5.6 4.6/7466=77, 10981=41...(11) 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 4.3-5.6 7455/7466=86, 10981=73...(11) 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 poor 12 75 75 20 3.8-7.7 2.4/14640=12...(3) HZ PHE 96 - HE3 TRP 92 far 0 100 0 - 7.7-10.7 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 - 7.0-10.6 H ARG 91 - HZ3 TRP 92 far 0 56 0 - 8.9-10.2 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 - 8.9-10.2 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 - 7.4-11.4 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 - 7.2-10.8 H ARG 91 - HH2 TRP 92 far 0 57 0 - 9.2-11.0 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 3 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 - 5.7-11.2 HZ PHE 96 - HH2 TRP 92 far 0 99 0 - 9.2-14.6 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 - 9.2-11.0 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 2.2-2.7 3.7=100 HA LEU 2 - QD PHE 96 far 0 71 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 14561 from cnoeabs.peaks (3.10, 7.03, 131.42 ppm; 5.20 A): 3 out of 7 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.3 2.4=100 HD2 ARG 79 + QD PHE 96 OK 66 82 85 95 4.3-6.8 10912/2.2=36...(13) HD3 ARG 79 + QD PHE 96 OK 52 85 65 94 3.4-7.0 3.0/8705=36...(13) HB2 TRP 92 - QD PHE 96 far 0 100 0 - 6.2-7.4 HB3 ASN 26 - QD PHE 96 far 0 73 0 - 8.7-11.0 HB3 HIS 105 - QD PHE 96 far 0 69 0 - 9.0-15.4 HB2 HIS 105 - QD PHE 96 far 0 84 0 - 9.6-16.4 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 2.5-2.7 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 - 5.0-10.5 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 5 100 5 - 5.0-10.5 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 6 assignments used, quality = 1.00: HG2 GLU 28 + QD TYR 4 OK 92 92 100 100 2.6-5.4 3.7/14579=53...(19) HG3 GLU 28 + QD TYR 4 OK 92 92 100 100 3.1-5.3 3.7/14579=53...(19) HB3 GLU 48 + QD TYR 4 OK 83 100 85 98 5.3-7.1 10643/9143=60...(13) HG12 ILE 93 - QD TYR 4 far 0 100 0 - 8.6-11.0 HB2 GLN 50 - QD TYR 4 far 0 92 0 - 9.8-11.7 HB3 GLU 43 - QD TYR 4 far 0 91 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 14573 from cnoeabs.peaks (1.70, 6.43, 132.25 ppm; 4.62 A): 2 out of 6 assignments used, quality = 0.84: HB3 LYS 53 + QD TYR 4 OK 65 98 85 79 4.7-6.5 8138/4.5=46...(10) HB ILE 52 + QD TYR 4 OK 52 81 65 100 4.7-6.3 2.1/9143=66, 9142/2.2=41...(30) HB2 LEU 2 - QD TYR 4 far 15 100 15 - 3.8-6.2 HD2 LYS 47 - QD TYR 4 far 0 94 0 - 6.5-11.8 HD3 LYS 47 - QD TYR 4 far 0 95 0 - 6.6-12.2 HB3 LYS 40 - QD TYR 4 far 0 96 0 - 9.8-12.2 Violated in 13 structures by 0.14 A. Peak 14574 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 4.88 A): 5 out of 10 assignments used, quality = 1.00: HG LEU 2 + QD TYR 4 OK 98 99 100 100 3.5-5.2 ~8157=52, ~8039=50...(26) HB2 LEU 3 + QD TYR 4 OK 78 82 100 95 4.5-5.5 4.4/6042=51, 3.0/8062=29...(15) HG3 ARG 30 + QD TYR 4 OK 77 100 90 86 5.0-8.4 1.8/8702=55, 3.0/8708=28...(8) HB3 GLU 28 + QD TYR 4 OK 63 63 100 99 2.3-3.6 1.8/8652=51...(17) HG LEU 6 + QD TYR 4 OK 60 100 60 99 5.4-6.3 2.1/8209=82, 2.1/8213=50...(17) HD3 LYS 53 - QD TYR 4 far 0 84 0 - 7.3-8.9 HG2 LYS 47 - QD TYR 4 far 0 68 0 - 7.6-10.5 HG12 ILE 56 - QD TYR 4 far 0 100 0 - 8.1-9.5 HG2 ARG 79 - QD TYR 4 far 0 99 0 - 8.2-12.1 HG3 ARG 79 - QD TYR 4 far 0 99 0 - 9.1-12.1 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 6 assignments used, quality = 1.00: HB3 LEU 2 + QD TYR 4 OK 96 96 100 100 4.0-6.4 8155/2.2=89, ~8039=82...(26) HG LEU 3 + QD TYR 4 OK 90 94 100 96 5.3-6.0 123/4.5=59, 3.7/8062=35...(12) HG2 ARG 30 + QD TYR 4 OK 82 88 95 97 4.2-8.9 8702=64, 8720/8209=44...(11) HB3 LEU 27 + QD TYR 4 OK 46 82 100 56 4.4-6.4 8185/6050=33...(5) HB3 LEU 42 - QD TYR 4 far 0 97 0 - 8.1-9.6 QB ALA 25 - QD TYR 4 far 0 90 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 14576 from cnoeabs.peaks (0.75, 6.43, 132.25 ppm; 4.21 A): 2 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + QD TYR 4 OK 99 99 100 100 3.3-4.7 9246/2.5=48, 9245/2.5=48...(24) QG2 ILE 52 + QD TYR 4 OK 77 85 90 100 3.2-5.6 9143=55, 14596/2.2=40...(31) QD1 LEU 6 - QD TYR 4 far 5 95 5 - 4.9-6.0 QD2 LEU 27 - QD TYR 4 far 4 87 5 - 4.6-6.1 QD2 LEU 42 - QD TYR 4 far 0 98 0 - 5.5-7.1 QG2 VAL 78 - QD TYR 4 far 0 73 0 - 5.7-8.5 QD1 LEU 27 - QD TYR 4 far 0 96 0 - 5.7-6.7 QG1 VAL 78 - QD TYR 4 far 0 99 0 - 5.9-7.3 QG1 VAL 5 - QD TYR 4 far 0 82 0 - 6.5-6.7 QG2 ILE 93 - QD TYR 4 far 0 100 0 - 7.2-8.4 HG13 ILE 56 - QD TYR 4 far 0 59 0 - 8.0-10.3 QD1 ILE 93 - QD TYR 4 far 0 96 0 - 8.3-10.0 HG13 ILE 93 - QD TYR 4 far 0 99 0 - 9.3-11.9 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 2.8-4.2 3.1/9143=55, 9148=49...(30) QG2 VAL 54 + QD TYR 4 OK 69 70 100 100 2.0-3.4 9239/2.5=48...(26) QD2 LEU 6 + QD TYR 4 OK 25 100 25 99 4.1-6.1 8209=90, 2.1/8213=39...(17) QG2 VAL 78 - QD TYR 4 far 0 71 0 - 5.7-8.5 QG1 VAL 5 - QD TYR 4 far 0 61 0 - 6.5-6.7 QD1 ILE 56 - QD TYR 4 far 0 93 0 - 6.6-8.7 QD1 LEU 29 - QD TYR 4 far 0 68 0 - 7.1-7.8 QD1 LEU 42 - QD TYR 4 far 0 100 0 - 7.8-9.0 HG13 ILE 56 - QD TYR 4 far 0 84 0 - 8.0-10.3 QD1 ILE 8 - QD TYR 4 far 0 91 0 - 9.6-11.0 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 4.7-5.6 3.0/8652=52, 8651=51...(17) 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 4.6-4.8 5.7=100 HA LEU 3 + QE TYR 4 OK 96 96 100 100 3.8-4.5 99/8126=67, 8062=47...(18) HA VAL 54 + QE TYR 4 OK 94 94 100 100 6.0-6.9 10204/4.4=69...(13) HA VAL 5 - QE TYR 4 far 0 65 0 - 7.9-8.0 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 3.2-4.9 8655/3.7=92...(14) HE ARG 30 + QD TYR 4 OK 75 95 90 88 3.4-7.9 4.0/8702=60, 2.9/8708=47...(5) H LEU 3 + QD TYR 4 OK 61 61 100 100 3.7-4.5 4.6/6042=70, 3.0/8062=44...(16) H TYR 41 - QD TYR 4 far 0 95 0 - 8.4-9.3 H ASN 26 - QD TYR 4 far 0 70 0 - 10.0-11.2 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 2.4-3.3 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 5.4-6.1 6462/14579=76...(9) H LYS 53 + QD TYR 4 OK 93 93 100 100 2.8-5.1 11098/4.5=76...(21) H ILE 7 - QD TYR 4 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 14585 from cnoeabs.peaks (8.91, 6.43, 132.25 ppm; 6.35 A): 1 out of 3 assignments used, quality = 1.00: H VAL 5 + QD TYR 4 OK 100 100 100 100 3.6-4.3 4.8=100 H ASP 77 - QD TYR 4 far 0 85 0 - 7.9-8.9 H LEU 57 - QD TYR 4 far 0 96 0 - 9.9-10.9 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 4 assignments used, quality = 1.00: H GLU 28 + QE TYR 4 OK 99 99 100 100 4.7-5.8 8655/5.7=74, ~14579=57...(11) H LEU 3 + QE TYR 4 OK 61 61 100 100 3.8-4.5 4.6/8039=87, 4.6/8155=77...(14) HE ARG 30 + QE TYR 4 OK 56 94 75 79 3.9-9.1 ~8708=62, 14582/2.2=27...(4) H TYR 41 - QE TYR 4 far 0 94 0 - 9.1-10.2 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 = 0.91: HA PHE 45 + QE TYR 4 OK 91 99 100 91 2.6-4.8 8996/14596=57...(6) Violated in 0 structures by 0.00 A. Peak 14589 from cnoeabs.peaks (2.44, 6.45, 118.20 ppm; 6.31 A): 2 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 3.4-5.9 9042/14598=65...(10) HG3 MET 1 - QE TYR 4 poor 16 82 20 - 7.0-8.7 HG3 GLN 50 - QE TYR 4 far 0 96 0 - 7.4-11.2 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 3 assignments used, quality = 1.00: HB2 TYR 4 + QE TYR 4 OK 99 99 100 100 4.4-4.4 4.4=100 HB2 GLU 48 + QE TYR 4 OK 94 95 100 99 4.3-6.3 9038/8157=62...(15) HB2 TYR 41 - QE TYR 4 far 11 73 15 - 6.7-8.7 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 4 assignments used, quality = 1.00: HG2 GLU 28 + QE TYR 4 OK 99 100 100 99 3.2-5.4 3.0/8653=46, 3.0/8652=44...(17) HG3 GLU 28 + QE TYR 4 OK 99 100 100 99 3.5-6.2 3.0/8653=46, 3.0/8652=44...(17) HB3 GLU 48 + QE TYR 4 OK 92 95 100 97 3.3-5.4 12316/9142=47...(12) HB3 GLU 43 - QE TYR 4 far 0 100 0 - 9.7-10.5 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 2.2-4.7 8039=100, 1.8/8155=71...(21) HB ILE 52 + QE TYR 4 OK 85 85 100 100 3.7-5.2 9142=58, 2.1/14596=53...(24) HD3 LYS 47 - QE TYR 4 far 10 96 10 - 4.9-10.8 HD2 LYS 47 - QE TYR 4 far 5 96 5 - 4.6-10.3 HB3 LYS 53 - QE TYR 4 far 0 98 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 14593 from cnoeabs.peaks (1.53, 6.45, 118.20 ppm; 5.40 A): 3 out of 7 assignments used, quality = 0.99: HG LEU 2 + QE TYR 4 OK 94 94 100 100 2.0-3.0 3.0/8039=88, 2.1/8157=83...(21) HB3 GLU 28 + QE TYR 4 OK 74 75 100 100 3.1-3.9 1.8/8652=46, ~8652=42...(17) HB2 LEU 3 + QE TYR 4 OK 60 90 70 95 6.0-6.5 4.4/8126=49, 3.0/8062=34...(13) HG3 ARG 30 - QE TYR 4 far 15 100 15 - 6.2-9.6 HG LEU 6 - QE TYR 4 far 0 99 0 - 7.4-8.2 HD3 LYS 53 - QE TYR 4 far 0 91 0 - 8.1-9.5 HG2 ARG 79 - QE TYR 4 far 0 100 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 14594 from cnoeabs.peaks (1.32, 6.45, 118.20 ppm; 5.15 A): 1 out of 7 assignments used, quality = 0.99: HB3 LEU 2 + QE TYR 4 OK 99 99 100 100 2.4-4.9 1.8/8039=97, 3.1/8157=67...(20) HG2 ARG 30 - QE TYR 4 poor 18 75 30 82 5.8-10.2 ~8708=39, 8702/2.2=38...(9) HG LEU 3 - QE TYR 4 far 12 83 15 - 5.9-6.4 HB3 LEU 27 - QE TYR 4 far 5 92 5 - 5.9-7.8 HB3 LEU 42 - QE TYR 4 far 0 89 0 - 8.5-10.1 QB ALA 25 - QE TYR 4 far 0 96 0 - 9.0-10.3 HG3 LYS 40 - QE TYR 4 far 0 69 0 - 9.6-12.7 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 2.0-4.1 8051/8039=86...(24) HB3 LEU 55 - QE TYR 4 far 0 95 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 14596 from cnoeabs.peaks (0.77, 6.45, 118.20 ppm; 4.12 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 52 + QE TYR 4 OK 99 99 100 100 3.6-4.8 9143/2.2=59, 2.1/9142=46...(26) QD2 LEU 2 + QE TYR 4 OK 60 61 100 99 1.9-4.4 3.1/8039=58, 2.1/8042=51...(26) QG1 VAL 54 - QE TYR 4 far 0 99 0 - 5.2-6.3 QD1 ILE 76 - QE TYR 4 far 0 76 0 - 6.3-8.6 QD2 LEU 42 - QE TYR 4 far 0 100 0 - 6.4-8.1 QD1 LEU 6 - QE TYR 4 far 0 100 0 - 6.5-7.5 QD1 LEU 27 - QE TYR 4 far 0 100 0 - 6.9-7.9 QG1 VAL 78 - QE TYR 4 far 0 85 0 - 7.3-8.6 QG2 ILE 93 - QE TYR 4 far 0 91 0 - 8.6-9.9 QD2 LEU 57 - QE TYR 4 far 0 85 0 - 9.8-11.4 QD1 ILE 93 - QE TYR 4 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 14597 from cnoeabs.peaks (0.68, 6.45, 118.20 ppm; 4.42 A): 2 out of 9 assignments used, quality = 0.99: QD1 ILE 52 + QE TYR 4 OK 97 97 100 100 1.8-3.1 9148=49, 12275/8039=44...(28) QG2 VAL 54 + QE TYR 4 OK 80 82 100 98 3.5-4.9 9239/4.4=40, 9238/4.4=37...(19) QD2 LEU 6 - QE TYR 4 far 0 100 0 - 5.7-7.5 QG2 VAL 78 - QE TYR 4 far 0 57 0 - 6.5-9.7 QD1 ILE 56 - QE TYR 4 far 0 83 0 - 8.2-10.3 QD2 LEU 29 - QE TYR 4 far 0 59 0 - 8.5-9.4 QD1 LEU 42 - QE TYR 4 far 0 99 0 - 8.7-9.9 QD1 LEU 29 - QE TYR 4 far 0 80 0 - 8.7-9.4 HG13 ILE 56 - QE TYR 4 far 0 71 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 14598 from cnoeabs.peaks (0.88, 6.45, 118.20 ppm; 5.40 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 2 + QE TYR 4 OK 100 100 100 100 2.0-4.4 3.1/8039=87, 3.1/8155=74...(23) QG2 ILE 76 - QE TYR 4 poor 20 100 20 - 5.3-7.3 QD1 LEU 38 - QE TYR 4 far 0 90 0 - 9.3-12.6 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 4.1-5.9 14598/2.2=82, ~8039=68...(27) QG2 ILE 76 + QD TYR 4 OK 63 96 100 66 5.5-6.6 11070/9224=46...(5) QG2 VAL 32 - QD TYR 4 far 0 65 0 - 7.7-8.2 QD1 LEU 38 - QD TYR 4 far 0 100 0 - 8.0-11.3 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 2 assignments used, quality = 0.98: H LYS 40 + QD TYR 41 OK 98 98 100 100 4.1-5.2 6644/4.6=93, 6638/4.6=81...(21) H GLU 48 - QD TYR 41 far 0 78 0 - 9.9-10.8 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 2.3-3.4 4.6=100 HE ARG 30 + QD TYR 41 OK 59 67 90 98 3.1-6.8 ~8710=40, 2.9/8709=39...(14) H GLU 28 - QD TYR 41 far 0 83 0 - 9.4-10.7 H SER 9 - QD TYR 41 far 0 97 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 14602 from cnoeabs.peaks (3.85, 6.83, 131.89 ppm; 4.46 A): 1 out of 6 assignments used, quality = 0.92: HA LEU 38 + QD TYR 41 OK 92 93 100 100 2.4-3.6 1624/2.5=62, 1625/2.5=62...(20) HA LYS 40 - QD TYR 41 far 0 99 0 - 5.4-6.0 HA GLU 35 - QD TYR 41 far 0 73 0 - 7.3-8.0 HA GLU 43 - QD TYR 41 far 0 80 0 - 8.0-8.2 HA ALA 67 - QD TYR 41 far 0 100 0 - 8.0-10.3 HA ALA 71 - QD TYR 41 far 0 99 0 - 8.8-10.5 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 4.1-5.3 8896/2.2=99...(21) 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 3.6-4.6 2.2/14606=81, ~8890=77...(15) QE TYR 4 - QD TYR 41 lone 11 61 95 18 6.3-7.6 ~5502=12, 14586/11054=3 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 3.0-4.6 8890/2.5=80, ~8887=78...(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 4 assignments used, quality = 1.00: H TYR 41 + QE TYR 41 OK 99 99 100 100 4.0-5.0 6.6=96, 6656/4.4=95...(25) HE ARG 30 + QE TYR 41 OK 84 84 100 100 2.0-6.2 2.9/8897=78, 5.0/8906=68...(13) H SER 9 - QE TYR 41 far 0 100 0 - 8.6-9.6 H GLU 28 - QE TYR 41 far 0 95 0 - 9.7-11.3 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 = 0.31: HA LYS 33 + QE TYR 41 OK 31 98 35 92 6.9-8.2 10519/14629=72...(4) HA PHE 45 - QE TYR 41 far 0 84 0 - 8.9-10.0 Violated in 20 structures by 1.02 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 2.7-3.9 3.2/8910=91...(18) Violated in 0 structures by 0.00 A. Peak 14610 from cnoeabs.peaks (3.90, 6.86, 118.20 ppm; 5.14 A): 2 out of 6 assignments used, quality = 0.97: HA TYR 41 + QE TYR 41 OK 83 84 100 100 4.2-4.8 1876/2.2=78, 5.7=75...(12) HA LEU 38 + QE TYR 41 OK 81 82 100 99 3.7-5.6 10162/8910=53...(17) HA LYS 40 - QE TYR 41 far 0 65 0 - 6.3-7.3 HA GLU 35 - QE TYR 41 far 0 97 0 - 7.5-9.0 HA GLU 44 - QE TYR 41 far 0 65 0 - 7.9-9.3 HA GLU 43 - QE TYR 41 far 0 94 0 - 9.9-10.1 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 6 assignments used, quality = 1.00: HB3 LEU 38 + QD TYR 41 OK 98 98 100 100 4.4-6.4 3.0/14602=98...(28) HG3 GLU 37 + QD TYR 41 OK 85 85 100 100 5.6-6.7 ~8813=90, 8815/2.2=80...(25) HB3 GLU 43 + QD TYR 41 OK 72 91 100 79 6.3-7.0 6707/8984=76...(3) HG3 GLU 28 - QD TYR 41 far 5 90 5 - 6.0-9.9 HG2 GLU 28 - QD TYR 41 lone 4 90 30 14 6.3-10.2 10511/8703=10 HB3 GLU 35 - QD TYR 41 far 0 100 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 14612 from cnoeabs.peaks (1.98, 6.83, 131.89 ppm; 5.47 A): 4 out of 9 assignments used, quality = 1.00: HB2 GLU 37 + QD TYR 41 OK 100 100 100 100 3.6-4.8 8836/14619=68, ~8815=59...(21) HB2 GLU 44 + QD TYR 41 OK 87 89 100 98 3.6-4.9 3.9/8984=60...(10) HB3 GLU 44 + QD TYR 41 OK 85 89 100 95 4.5-6.1 1.8/8988=64, 3.9/8984=60...(9) HB VAL 32 + QD TYR 41 OK 61 61 100 100 4.9-5.8 2.1/14619=88, ~8910=77...(23) QE MET 74 - QD TYR 41 far 0 88 0 - 6.5-7.1 HB2 ARG 46 - QD TYR 41 far 0 100 0 - 9.0-11.5 HB2 GLU 35 - QD TYR 41 far 0 78 0 - 9.1-10.4 HB3 ARG 46 - QD TYR 41 far 0 93 0 - 9.3-11.4 HB3 MET 74 - QD TYR 41 far 0 95 0 - 9.8-11.0 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 8 assignments used, quality = 1.00: HB2 LYS 40 + QD TYR 41 OK 99 99 100 100 4.1-5.8 1793/4.6=88...(23) HB3 LEU 6 + QD TYR 41 OK 98 98 100 100 3.7-6.4 ~8227=73, ~8911=72...(23) HB2 ARG 30 + QD TYR 41 OK 71 71 100 100 3.7-4.3 1.8/8700=51, 3.6/8709=47...(21) HG3 LYS 47 - QD TYR 41 far 0 97 0 - 8.7-11.0 HD3 LYS 39 - QD TYR 41 far 0 100 0 - 8.9-10.5 HD2 LYS 39 - QD TYR 41 far 0 94 0 - 9.0-10.5 HB3 LEU 29 - QD TYR 41 far 0 57 0 - 9.3-10.1 HB ILE 76 - QD TYR 41 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 14614 from cnoeabs.peaks (1.45, 6.83, 131.89 ppm; 6.50 A): 4 out of 10 assignments used, quality = 1.00: HB2 LEU 38 + QD TYR 41 OK 99 99 100 100 4.7-6.2 3.0/14602=98...(29) HG LEU 38 + QD TYR 41 OK 98 98 100 100 4.6-7.1 2.1/12065=99...(21) HD2 LYS 40 + QD TYR 41 OK 94 94 100 100 4.1-7.1 3.0/8865=53, 3.0/8959=50...(25) HD3 LYS 40 + QD TYR 41 OK 93 94 100 100 4.2-6.2 3.0/8865=53, 3.0/8959=50...(25) QB ALA 71 - QD TYR 41 far 3 63 5 - 7.4-9.4 HG3 LYS 39 - QD TYR 41 far 0 100 0 - 7.5-8.8 HG LEU 29 - QD TYR 41 far 0 98 0 - 7.8-8.8 HG13 ILE 52 - QD TYR 41 far 0 99 0 - 9.1-10.8 QB ALA 22 - QD TYR 41 far 0 98 0 - 9.3-10.2 HG12 ILE 7 - QD TYR 41 far 0 88 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 14615 from cnoeabs.peaks (1.34, 6.83, 131.89 ppm; 6.50 A): 4 out of 7 assignments used, quality = 1.00: HG3 LYS 40 + QD TYR 41 OK 94 94 100 100 3.1-6.4 10586/1876=82...(22) HG12 ILE 8 + QD TYR 41 OK 80 90 100 89 6.5-7.2 10336/14619=74...(6) HB3 ARG 30 + QD TYR 41 OK 78 78 100 100 3.8-4.9 ~8906=79, ~14624=77...(21) HB3 LEU 42 + QD TYR 41 OK 41 59 70 98 6.8-7.5 6674/4.6=55, ~10595=36...(14) QB ALA 67 - QD TYR 41 far 15 100 15 - 6.9-8.8 HG2 LYS 39 - QD TYR 41 far 0 100 0 - 7.5-8.8 HB2 LEU 70 - QD TYR 41 far 0 82 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 14616 from cnoeabs.peaks (1.15, 6.83, 131.89 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 40 + QD TYR 41 OK 100 100 100 100 3.9-5.4 10585/1876=88...(27) HB2 LEU 6 + QD TYR 41 OK 82 82 100 100 3.3-6.1 ~8227=73, ~8911=72...(23) QG2 THR 31 - QD TYR 41 lone 2 98 95 3 6.8-7.4 QG2 THR 34 - QD TYR 41 far 0 89 0 - 7.6-8.7 HB2 LEU 29 - QD TYR 41 far 0 99 0 - 9.2-10.0 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 2.2-2.9 8910/2.2=74...(30) QD2 LEU 38 + QD TYR 41 OK 63 99 65 98 3.6-6.0 2.1/12065=54...(25) QD1 LEU 70 - QD TYR 41 far 0 100 0 - 6.3-8.4 QG2 ILE 7 - QD TYR 41 far 0 94 0 - 6.8-7.5 QD1 ILE 76 - QD TYR 41 far 0 96 0 - 7.1-7.8 QG2 ILE 8 - QD TYR 41 far 0 78 0 - 7.5-8.3 QD2 LEU 70 - QD TYR 41 far 0 99 0 - 7.9-9.7 QD2 LEU 57 - QD TYR 41 far 0 91 0 - 7.9-10.1 QG2 ILE 52 - QD TYR 41 far 0 63 0 - 8.1-10.4 QG2 ILE 15 - QD TYR 41 far 0 100 0 - 8.6-9.4 QD2 LEU 2 - QD TYR 41 far 0 99 0 - 9.3-11.6 QD1 LEU 57 - QD TYR 41 far 0 98 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 14618 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 4.75 A): 2 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 41 OK 100 100 100 100 2.0-3.5 8911/2.2=71...(31) QD1 LEU 42 + QD TYR 41 OK 44 100 45 97 5.2-6.2 6676/4.6=61...(19) QD1 ILE 56 - QD TYR 41 far 14 96 15 - 4.7-7.8 HG13 ILE 56 - QD TYR 41 far 4 89 5 - 5.6-9.0 QD1 ILE 8 - QD TYR 41 far 0 94 0 - 5.7-6.8 QG2 VAL 54 - QD TYR 41 far 0 61 0 - 6.0-7.0 QG2 VAL 78 - QD TYR 41 far 0 78 0 - 7.0-8.7 QD1 ILE 52 - QD TYR 41 far 0 100 0 - 7.3-8.2 QG1 VAL 5 - QD TYR 41 far 0 69 0 - 7.5-8.3 QD1 LEU 29 - QD TYR 41 far 0 59 0 - 8.1-9.1 QG1 VAL 58 - QD TYR 41 far 0 80 0 - 8.2-9.3 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 6 assignments used, quality = 1.00: QG1 VAL 32 + QD TYR 41 OK 100 100 100 100 3.7-4.6 14629/2.2=77, ~8910=66...(33) HG13 ILE 8 - QD TYR 41 far 0 85 0 - 6.6-8.0 QG2 ILE 76 - QD TYR 41 far 0 78 0 - 7.7-8.7 QG2 VAL 5 - QD TYR 41 far 0 67 0 - 8.2-9.0 QD1 LEU 2 - QD TYR 41 far 0 77 0 - 8.9-11.9 HG13 ILE 7 - QD TYR 41 far 0 93 0 - 10.0-10.8 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 2 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 2.1-6.0 1.8/8710=69, 3.6/8906=62...(16) 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 3.8-5.0 1.8/8815=100...(18) 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 - 7.5-9.5 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 7 assignments used, quality = 0.98: HG3 GLU 37 + QE TYR 41 OK 92 92 100 100 4.8-6.0 8815=88, 1.8/8813=82...(19) HB3 GLU 37 + QE TYR 41 OK 65 65 100 100 2.0-3.2 3.0/8815=82, 3.0/8813=71...(22) HB3 LEU 38 + QE TYR 41 OK 24 95 25 99 5.7-8.1 3.0/8901=63, ~14602=56...(16) HG3 GLU 28 - QE TYR 41 far 0 84 0 - 6.5-10.9 HG2 GLU 28 - QE TYR 41 far 0 84 0 - 6.7-10.5 HB3 GLU 43 - QE TYR 41 far 0 85 0 - 8.0-8.5 HB3 GLU 35 - QE TYR 41 far 0 99 0 - 9.5-11.0 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 3.0-4.3 3.0/8815=97...(17) HB VAL 32 + QE TYR 41 OK 79 79 100 100 4.5-6.0 2.1/8910=100...(17) HB2 GLU 44 + QE TYR 41 OK 69 75 100 92 5.4-6.9 8988/2.2=45, 1881/5.7=35...(10) HB3 GLU 44 + QE TYR 41 OK 47 75 70 90 6.0-7.8 ~8988=60, 14612/2.2=24...(9) QE MET 74 - QE TYR 41 far 0 73 0 - 8.0-8.8 HB2 GLU 35 - QE TYR 41 far 0 61 0 - 9.7-11.3 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 2.7-4.2 8717/8911=67...(18) HB3 GLU 28 - QE TYR 41 far 0 82 0 - 8.3-10.1 HG2 ARG 19 - QE TYR 41 far 0 100 0 - 8.7-12.8 HB3 LEU 29 - QE TYR 41 far 0 100 0 - 8.8-9.9 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 3.4-5.9 ~8865=41, 3.0/8900=40...(23) HD2 LYS 40 + QE TYR 41 OK 92 92 100 100 3.5-7.1 ~8865=41, 3.0/8900=40...(22) HG3 LYS 33 + QE TYR 41 OK 87 92 100 95 5.5-6.9 3.9/14608=67...(5) HB2 LEU 38 + QE TYR 41 OK 63 79 80 100 5.4-8.0 3.0/8901=86, ~14602=78...(17) HG LEU 38 + QE TYR 41 OK 34 85 40 100 5.0-8.7 ~12065=81, 3.7/8901=79...(15) HB ILE 7 - QE TYR 41 far 0 61 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 14626 from cnoeabs.peaks (1.34, 6.86, 118.20 ppm; 6.50 A): 3 out of 7 assignments used, quality = 0.99: HG3 LYS 40 + QE TYR 41 OK 89 89 100 100 3.5-7.0 10586/5.7=54...(21) HB3 ARG 30 + QE TYR 41 OK 69 69 100 100 3.2-5.3 1.8/8906=97, 3.6/8897=72...(18) HG12 ILE 8 + QE TYR 41 OK 64 84 85 91 6.0-7.7 10336/14629=75...(6) QB ALA 67 - QE TYR 41 far 0 100 0 - 7.9-10.1 HG2 LYS 39 - QE TYR 41 far 0 99 0 - 8.7-10.6 HB3 LEU 42 - QE TYR 41 far 0 69 0 - 8.9-9.6 HB2 LEU 70 - QE TYR 41 far 0 73 0 - 9.8-11.8 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 = 1.00: QG2 VAL 32 + QE TYR 41 OK 100 100 100 100 1.9-3.7 2.1/14629=55...(26) QD2 LEU 38 + QE TYR 41 OK 26 100 30 88 4.6-6.9 ~12065=36, 3.8/8901=32...(16) QD1 LEU 38 - QE TYR 41 far 4 73 5 - 4.9-7.2 QG2 ILE 7 - QE TYR 41 far 0 77 0 - 5.8-7.2 QD1 LEU 70 - QE TYR 41 far 0 97 0 - 7.3-9.6 QG2 ILE 15 - QE TYR 41 far 0 93 0 - 7.4-8.3 QD2 LEU 57 - QE TYR 41 far 0 71 0 - 8.3-10.8 QD2 LEU 70 - QE TYR 41 far 0 91 0 - 8.9-11.2 QD1 ILE 76 - QE TYR 41 far 0 80 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 14628 from cnoeabs.peaks (0.69, 6.86, 118.20 ppm; 5.26 A): 1 out of 12 assignments used, quality = 1.00: QD2 LEU 6 + QE TYR 41 OK 100 100 100 100 2.7-4.3 14618/2.2=60...(25) QD1 ILE 56 - QE TYR 41 far 5 95 5 - 6.0-9.4 QD1 ILE 8 - QE TYR 41 far 5 93 5 - 5.9-7.6 QD1 LEU 42 - QE TYR 41 far 0 100 0 - 6.9-8.0 HG13 ILE 56 - QE TYR 41 far 0 87 0 - 7.2-10.7 QG2 VAL 54 - QE TYR 41 far 0 65 0 - 7.6-8.6 QG1 VAL 5 - QE TYR 41 far 0 65 0 - 7.7-8.9 QD1 LEU 29 - QE TYR 41 far 0 63 0 - 7.9-9.0 QG1 VAL 58 - QE TYR 41 far 0 77 0 - 8.3-10.2 QG2 VAL 78 - QE TYR 41 far 0 75 0 - 8.6-10.4 QD1 ILE 52 - QE TYR 41 far 0 100 0 - 8.9-9.9 QD2 LEU 14 - QE TYR 41 far 0 94 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 14629 from cnoeabs.peaks (0.91, 6.86, 118.20 ppm; 4.83 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 32 + QE TYR 41 OK 100 100 100 100 3.4-4.8 2.1/8910=93...(29) HG13 ILE 8 - QE TYR 41 far 0 92 0 - 6.1-8.7 QG2 VAL 5 - QE TYR 41 far 0 57 0 - 8.7-9.8 HG13 ILE 7 - QE TYR 41 far 0 97 0 - 9.1-10.7 QG2 ILE 76 - QE TYR 41 far 0 87 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 14630 from cnoeabs.peaks (3.90, 6.87, 127.01 ppm; 5.12 A): 1 out of 5 assignments used, quality = 1.00: HA ALA 89 + HD1 TRP 92 OK 100 100 100 100 2.2-5.3 9935=100, 9824/9796=89...(17) HA ARG 91 - HD1 TRP 92 far 10 98 10 - 4.5-7.3 HB2 SER 85 - HD1 TRP 92 far 0 100 0 - 7.2-9.0 HA LYS 94 - HD1 TRP 92 far 0 71 0 - 8.3-10.3 HB2 SER 102 - HD1 TRP 92 far 0 100 0 - 9.1-19.8 Violated in 2 structures by 0.01 A. Peak 14631 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 5.65 A): 3 out of 7 assignments used, quality = 0.99: HB VAL 83 + HD1 TRP 92 OK 89 99 90 100 4.0-6.9 2.1/9796=100...(16) HB3 GLU 88 + HD1 TRP 92 OK 82 82 100 100 2.1-4.7 1.8/12224=81, ~9974=73...(18) HG2 GLU 88 + HD1 TRP 92 OK 60 63 95 100 4.1-6.7 3.0/12224=70...(13) QE MET 21 - HD1 TRP 92 far 0 100 0 - 7.8-9.6 HB3 PRO 86 - HD1 TRP 92 far 0 100 0 - 8.6-10.9 HB2 PRO 86 - HD1 TRP 92 far 0 96 0 - 8.8-11.6 HG3 GLU 104 - HD1 TRP 92 far 0 100 0 - 9.8-23.9 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 3.2-5.6 12224=100, 9813/9796=100...(16) HB3 LEU 57 + HD1 TRP 92 OK 84 94 90 100 5.7-9.7 3.1/9342=94, ~9999=50...(9) HB2 LYS 90 + HD1 TRP 92 OK 27 100 35 77 6.9-8.4 4.1/10981=62...(5) HB ILE 93 + HD1 TRP 92 OK 21 100 45 46 7.0-8.2 10323/9936=25...(4) HB3 LYS 90 - HD1 TRP 92 far 12 81 15 - 7.2-8.7 HB2 GLU 104 - HD1 TRP 92 far 0 100 0 - 9.3-22.5 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 6 assignments used, quality = 1.00: HB2 ARG 91 + HD1 TRP 92 OK 95 97 100 98 2.8-7.0 4.3/7466=91...(4) HG3 ARG 91 + HD1 TRP 92 OK 82 92 95 94 4.0-7.5 4061/7466=78...(3) HG LEU 57 + HD1 TRP 92 OK 79 79 100 100 3.5-7.3 2.1/9342=96...(8) QB ALA 22 - HD1 TRP 92 far 0 63 0 - 9.6-11.3 HB3 LEU 64 - HD1 TRP 92 far 0 94 0 - 9.8-13.7 HD2 LYS 82 - HD1 TRP 92 far 0 98 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 14634 from cnoeabs.peaks (1.32, 6.87, 127.01 ppm; 6.50 A): 2 out of 7 assignments used, quality = 0.93: QB ALA 89 + HD1 TRP 92 OK 91 91 100 100 3.7-6.3 2.1/9935=100...(13) HG2 LYS 90 + HD1 TRP 92 OK 28 75 70 52 5.8-8.0 7435/10981=45...(3) HG2 LYS 94 - HD1 TRP 92 far 9 91 10 - 5.9-11.4 HG LEU 14 - HD1 TRP 92 far 4 73 5 - 7.4-10.6 HB2 LYS 82 - HD1 TRP 92 far 0 85 0 - 8.3-12.1 QB ALA 25 - HD1 TRP 92 far 0 91 0 - 9.7-11.3 QB ALA 67 - HD1 TRP 92 far 0 93 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 14635 from cnoeabs.peaks (1.00, 6.87, 127.01 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.99: QG1 VAL 83 + HD1 TRP 92 OK 96 96 100 100 1.9-4.8 9796=95, 9998/2.6=64...(22) QG2 VAL 83 + HD1 TRP 92 OK 66 73 90 100 3.7-7.0 2.1/9796=83, 9782=44...(22) HG LEU 55 - HD1 TRP 92 far 0 75 0 - 5.9-8.8 HB3 LEU 55 - HD1 TRP 92 far 0 73 0 - 7.6-10.0 QG2 THR 80 - HD1 TRP 92 far 0 96 0 - 8.1-11.8 Violated in 2 structures by 0.07 A. Peak 14636 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.59 A): 2 out of 6 assignments used, quality = 0.96: QD1 LEU 57 + HD1 TRP 92 OK 82 91 90 100 2.5-5.9 9342=83, 9808/9796=57...(21) QD2 LEU 57 + HD1 TRP 92 OK 78 98 80 99 4.2-7.4 2.1/9342=80, 9343/5.1=36...(15) QD1 ILE 93 - HD1 TRP 92 poor 17 63 35 76 5.2-6.9 9983/7466=36...(9) QG2 ILE 7 - HD1 TRP 92 far 0 99 0 - 8.8-12.0 QD1 LEU 27 - HD1 TRP 92 far 0 61 0 - 9.6-10.4 QD2 LEU 103 - HD1 TRP 92 far 0 92 0 - 9.9-18.5 Violated in 2 structures by 0.10 A. Peak 14637 from cnoeabs.peaks (0.42, 6.87, 127.01 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + HD1 TRP 92 OK 98 98 100 100 4.9-7.3 9255/3.9=89, 9276/5.1=68...(8) HG2 ARG 81 + HD1 TRP 92 OK 75 100 75 100 4.2-9.7 ~10001=70, 12215/3.9=68...(8) Violated in 2 structures by 0.03 A. Peak 14638 from cnoeabs.peaks (4.80, 7.43, 120.39 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.90: HA TRP 92 + HE3 TRP 92 OK 90 92 100 97 2.1-5.1 4.8=74, 14659/2.5=52...(8) HA VAL 83 - HE3 TRP 92 far 10 100 10 - 5.1-9.9 Violated in 2 structures by 0.07 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 2.8-3.2 4.2=100 HB2 HIS 106 - HE3 TRP 92 far 0 97 0 - 9.4-22.2 Violated in 0 structures by 0.00 A. Peak 14640 from cnoeabs.peaks (3.08, 7.43, 120.39 ppm; 5.94 A): 2 out of 5 assignments used, quality = 0.97: HB2 TRP 92 + HE3 TRP 92 OK 95 95 100 100 3.0-4.2 4.2=100 HB2 PHE 96 + HE3 TRP 92 OK 33 96 90 38 4.8-8.1 9254/9276=20...(5) HD3 ARG 79 - HE3 TRP 92 far 5 99 5 - 6.3-10.3 HD2 ARG 79 - HE3 TRP 92 far 0 98 0 - 7.2-10.8 HB3 HIS 106 - HE3 TRP 92 far 0 77 0 - 9.4-21.1 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 = 0.90: HB3 GLU 95 + HE3 TRP 92 OK 90 100 90 100 3.4-9.0 1.8/12282=97...(5) HG2 GLU 104 - HE3 TRP 92 far 0 96 0 - 7.5-17.8 HG2 GLU 88 - HE3 TRP 92 far 0 90 0 - 7.6-10.2 Violated in 2 structures by 0.23 A. Peak 14642 from cnoeabs.peaks (0.98, 7.43, 120.39 ppm; 6.10 A): 2 out of 5 assignments used, quality = 0.98: HG LEU 55 + HE3 TRP 92 OK 92 94 100 98 4.4-6.9 2.1/9276=90...(9) QG1 VAL 83 + HE3 TRP 92 OK 80 81 100 99 2.7-6.2 9796/5.1=62, 9998/5.3=55...(8) QG2 VAL 5 - HE3 TRP 92 poor 19 65 45 64 5.8-8.5 8197/9276=39...(6) QG2 VAL 83 - HE3 TRP 92 far 9 93 10 - 4.8-8.3 QG2 THR 80 - HE3 TRP 92 far 0 100 0 - 7.2-10.2 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 4 assignments used, quality = 1.00: QD1 LEU 57 + HE3 TRP 92 OK 97 97 100 100 1.9-5.8 2.1/9343=74, 9357/4.2=66...(15) QD2 LEU 57 + HE3 TRP 92 OK 84 94 90 99 4.3-6.3 9343=83, 2.1/9341=55...(16) QD2 LEU 103 - HE3 TRP 92 far 0 98 0 - 7.2-14.3 QG2 ILE 7 - HE3 TRP 92 far 0 96 0 - 9.1-12.1 Violated in 1 structures by 0.00 A. Peak 14644 from cnoeabs.peaks (0.44, 7.43, 120.39 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + HE3 TRP 92 OK 100 100 100 100 2.4-4.8 9276=97, 9255/4.2=88...(16) HG2 ARG 81 + HE3 TRP 92 OK 97 99 100 98 4.3-6.4 ~14661=66, 12215/4.2=65...(9) QD1 LEU 3 - HE3 TRP 92 far 0 85 0 - 7.9-12.4 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 2 assignments used, quality = 1.00: H TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.6-3.9 7466=100, 7464/3.9=85...(15) H ASP 87 - HD1 TRP 92 far 0 100 0 - 7.6-8.9 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 4.1-5.9 8061/2.2=88, ~8068=77...(18) HA VAL 5 + HZ PHE 96 OK 94 95 100 99 4.9-6.3 ~8170=82, 8164/9292=61...(13) HA TYR 4 + HZ PHE 96 OK 75 85 90 98 5.6-7.6 ~8119=81, 3.0/8120=74...(8) HA VAL 54 + HZ PHE 96 OK 57 57 100 100 2.6-4.3 3.0/9219=93, ~9218=70...(13) 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 2.0-3.3 9206/2.2=100...(18) HB VAL 5 + HZ PHE 96 OK 28 93 30 99 6.7-8.3 ~8170=93, ~10059=41...(11) HB2 GLU 104 - HZ PHE 96 far 0 63 0 - 8.5-17.3 HB3 GLU 104 - HZ PHE 96 far 0 82 0 - 9.8-17.5 Violated in 0 structures by 0.00 A. Peak 14648 from cnoeabs.peaks (1.54, 7.06, 130.85 ppm; 6.50 A): 5 out of 8 assignments used, quality = 1.00: HD3 LYS 53 + HZ PHE 96 OK 96 96 100 100 3.5-5.3 9214/2.2=95...(17) HB2 LEU 3 + HZ PHE 96 OK 96 96 100 100 2.8-6.6 8066/2.2=97, ~8068=90...(20) HG2 ARG 79 + HZ PHE 96 OK 90 98 100 92 2.4-6.6 8705/3.8=45, ~10912=39...(13) HG3 ARG 79 + HZ PHE 96 OK 87 98 100 89 2.5-7.2 ~10912=39, 8705/3.8=37...(11) HG12 ILE 56 + HZ PHE 96 OK 24 97 55 45 6.8-9.8 10659/9292=24...(5) HG LEU 6 - HZ PHE 96 far 0 93 0 - 7.5-9.9 HG LEU 2 - HZ PHE 96 far 0 81 0 - 7.5-11.0 HB3 GLU 28 - HZ PHE 96 far 0 87 0 - 8.6-10.6 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 2.4-4.0 8072/2.2=100...(25) 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 4.0-5.7 3.0/8119=99...(10) HA LEU 3 + QE PHE 96 OK 98 98 100 100 3.3-4.8 8061=98, 3.0/8068=97...(22) HA VAL 54 + QE PHE 96 OK 90 90 100 100 3.0-4.0 9220=87, 3.0/9218=86...(14) HA VAL 5 + QE PHE 96 OK 72 72 100 100 3.9-5.5 3.2/8170=97, ~8169=59...(17) HA ILE 7 - QE PHE 96 far 0 99 0 - 9.8-10.6 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 4.4-4.5 5.6=100 HA PHE 45 - QE PHE 96 far 0 95 0 - 9.7-10.6 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): 3 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 2.0-4.8 1.8/10912=50, 10912=45...(20) HD2 ARG 79 + QE PHE 96 OK 89 90 100 99 2.5-4.6 1.8/10912=50, 10912=45...(18) HB2 TRP 92 - QE PHE 96 far 0 99 0 - 7.7-9.0 HB3 HIS 105 - QE PHE 96 far 0 79 0 - 8.5-15.2 HB2 HIS 105 - QE PHE 96 far 0 72 0 - 9.0-16.1 HB3 ASN 26 - QE PHE 96 far 0 83 0 - 9.1-11.8 HB3 HIS 106 - QE PHE 96 far 0 58 0 - 9.5-19.1 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 4.5-5.7 10669/2.2=90, ~9291=80...(18) HA LEU 27 + QD PHE 96 OK 60 63 95 100 6.0-7.5 4.0/8645=93, 4.0/8647=91...(6) HA ARG 79 + QD PHE 96 OK 56 88 80 79 6.3-8.2 4.1/8705=44, 4.1/8705=36...(4) 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 3.9-4.2 4.5=100 H SER 97 + QD PHE 96 OK 100 100 100 100 4.0-4.3 4.5=100 H LEU 27 - QD PHE 96 far 0 75 0 - 7.0-8.4 H GLU 104 - QD PHE 96 far 0 100 0 - 7.4-12.8 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 6.0-6.2 6.5=100 H SER 97 + QE PHE 96 OK 94 94 100 100 5.8-6.3 7573/2.2=93, 7571/4.4=87...(11) H GLU 104 - QE PHE 96 far 5 94 5 - 7.4-13.2 Violated in 0 structures by 0.00 A. Peak 14658 from cnoeabs.peaks (4.78, 7.24, 124.65 ppm; 6.38 A): 1 out of 2 assignments used, quality = 0.50: HA TRP 92 + HH2 TRP 92 OK 50 57 90 97 5.7-7.8 14659/2.4=80...(3) HA VAL 83 - HH2 TRP 92 far 9 92 10 - 2.6-9.7 Violated in 2 structures by 0.14 A. Peak 14659 from cnoeabs.peaks (4.80, 7.06, 122.12 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.78: HA TRP 92 + HZ3 TRP 92 OK 78 88 90 98 4.3-7.2 14638/2.5=89...(4) HA VAL 83 - HZ3 TRP 92 far 10 98 10 - 3.6-10.7 Violated in 2 structures by 0.19 A. Peak 14660 from cnoeabs.peaks (2.11, 7.06, 122.12 ppm; 6.50 A): 0 out of 7 assignments used, quality = 0.00: HG2 GLU 104 - HZ3 TRP 92 poor 14 58 25 - 5.4-16.4 HB VAL 83 - HZ3 TRP 92 far 10 98 10 - 5.1-10.6 HB3 GLU 88 - HZ3 TRP 92 far 7 69 10 - 5.7-10.6 HG2 GLU 88 - HZ3 TRP 92 far 7 69 10 - 7.1-11.2 HG3 GLU 104 - HZ3 TRP 92 lone 1 95 25 3 6.3-17.6 HB2 LEU 64 - HZ3 TRP 92 far 0 98 0 - 8.5-14.8 QE MET 21 - HZ3 TRP 92 far 0 96 0 - 9.4-11.9 Violated in 11 structures by 0.38 A. Peak 14661 from cnoeabs.peaks (0.96, 7.06, 122.12 ppm; 5.40 A): 1 out of 5 assignments used, quality = 0.54: HB2 ARG 81 + HZ3 TRP 92 OK 54 71 95 80 2.0-6.4 14664/2.4=49...(8) HG LEU 55 - HZ3 TRP 92 far 15 98 15 - 5.1-8.7 QG2 VAL 83 - HZ3 TRP 92 far 10 98 10 - 4.6-9.6 QG2 THR 80 - HZ3 TRP 92 far 5 91 5 - 6.1-10.5 QG2 VAL 5 - HZ3 TRP 92 far 0 91 0 - 7.0-10.3 Violated in 10 structures by 0.14 A. Peak 14662 from cnoeabs.peaks (0.80, 7.06, 122.12 ppm; 5.80 A): 2 out of 6 assignments used, quality = 0.84: QD1 LEU 57 + HZ3 TRP 92 OK 71 84 85 100 2.9-7.3 ~9343=64, 9341/2.5=49...(16) QD2 LEU 57 + HZ3 TRP 92 OK 43 96 45 99 5.5-7.9 9343/2.5=85, ~9341=45...(15) QD2 LEU 103 - HZ3 TRP 92 far 13 85 15 - 6.1-13.8 QD1 ILE 93 - HZ3 TRP 92 far 0 64 0 - 7.6-9.4 QD1 LEU 27 - HZ3 TRP 92 far 0 62 0 - 8.4-11.8 QG2 ILE 7 - HZ3 TRP 92 far 0 97 0 - 9.8-13.8 Violated in 5 structures by 0.10 A. Peak 14663 from cnoeabs.peaks (0.96, 7.49, 114.39 ppm; 6.50 A): 2 out of 5 assignments used, quality = 0.98: QG2 VAL 83 + HZ2 TRP 92 OK 89 98 90 100 5.7-7.7 10296/2.8=93, ~9998=89...(8) HB2 ARG 81 + HZ2 TRP 92 OK 86 86 100 100 2.9-5.5 3.4/10925=86...(10) HG LEU 55 - HZ2 TRP 92 far 10 98 10 - 7.1-10.1 QG2 THR 80 - HZ2 TRP 92 far 4 83 5 - 7.4-10.3 QG2 VAL 5 - HZ2 TRP 92 far 0 98 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 14664 from cnoeabs.peaks (0.94, 7.24, 124.65 ppm; 6.11 A): 1 out of 5 assignments used, quality = 0.96: HB2 ARG 81 + HH2 TRP 92 OK 96 97 100 99 3.4-5.9 14661/2.4=72, ~10925=56...(10) QG2 VAL 83 - HH2 TRP 92 far 9 88 10 - 5.0-9.4 HG LEU 55 - HH2 TRP 92 far 4 87 5 - 6.5-10.0 QG2 THR 80 - HH2 TRP 92 far 0 59 0 - 7.6-10.0 QG2 VAL 5 - HH2 TRP 92 far 0 99 0 - 8.8-11.9 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 = 0.87: QD1 LEU 57 + HH2 TRP 92 OK 81 90 90 99 4.8-7.5 9342/6.6=57, 9999/5.0=56...(8) QD2 LEU 57 + HH2 TRP 92 OK 33 95 35 98 6.5-8.7 9343/4.3=76, ~14662=44...(8) QD2 LEU 103 - HH2 TRP 92 far 14 91 15 - 5.6-15.1 QD1 ILE 93 - HH2 TRP 92 far 0 57 0 - 8.9-10.4 Violated in 3 structures by 0.03 A. Peak 14666 from cnoeabs.peaks (4.35, 7.49, 114.39 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.89: HA ARG 81 + HZ2 TRP 92 OK 89 95 100 94 4.8-7.2 3620/10925=73, ~14664=58...(5) HA SER 102 - HZ2 TRP 92 far 0 70 0 - 9.2-17.6 Violated in 2 structures by 0.07 A. Peak 14667 from cnoeabs.peaks (1.74, 7.49, 114.39 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.87: HD2 ARG 81 + HZ2 TRP 92 OK 87 97 90 100 2.6-8.4 10925=96, 9975/2.8=91...(8) HB3 LYS 82 - HZ2 TRP 92 poor 7 80 30 30 6.4-8.3 9765/14666=22, 3589/14663=7 HB ILE 56 - HZ2 TRP 92 far 0 82 0 - 9.8-12.7 Violated in 2 structures by 0.15 A. Peak 14668 from cnoeabs.peaks (1.53, 7.03, 131.42 ppm; 6.50 A): 4 out of 11 assignments used, quality = 1.00: HG2 ARG 79 + QD PHE 96 OK 98 100 100 98 3.2-5.4 8705=54, 1.8/8705=44...(15) HG3 ARG 79 + QD PHE 96 OK 98 100 100 98 2.9-6.4 1.8/8705=53, 8705=44...(14) HD3 LYS 53 + QD PHE 96 OK 91 91 100 100 5.0-6.3 9214/2.2=85, ~9212=59...(12) HB2 LEU 3 + QD PHE 96 OK 89 89 100 100 3.2-5.2 ~8068=90, 8066/2.2=85...(24) HG LEU 57 - QD PHE 96 poor 19 77 25 - 7.1-8.1 HG12 ILE 56 - QD PHE 96 far 0 100 0 - 7.7-10.0 HB3 GLU 28 - QD PHE 96 far 0 73 0 - 7.7-9.0 HB3 LEU 103 - QD PHE 96 far 0 99 0 - 7.8-13.5 HG LEU 6 - QD PHE 96 far 0 100 0 - 8.1-9.8 HG LEU 2 - QD PHE 96 far 0 96 0 - 8.7-11.2 HB ILE 7 - QD PHE 96 far 0 99 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 14669 from cnoeabs.peaks (1.13, 7.03, 131.42 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.92: HB3 LEU 3 + QD PHE 96 OK 88 88 100 100 2.5-5.5 ~8066=87, 8068/2.2=84...(22) HB2 LEU 29 + QD PHE 96 OK 35 71 80 61 6.2-7.8 10498/8169=33...(5) 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 2.2-3.5 8170/2.2=98, 8169=71...(24) HG LEU 55 + QD PHE 96 OK 92 92 100 100 4.7-5.5 ~9263=69, ~10050=67...(23) HB2 ARG 81 - QD PHE 96 far 0 98 0 - 6.8-8.7 QG2 THR 80 - QD PHE 96 far 0 65 0 - 8.4-9.3 QG2 VAL 83 - QD PHE 96 far 0 93 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 14671 from cnoeabs.peaks (0.75, 7.03, 131.42 ppm; 4.92 A): 6 out of 18 assignments used, quality = 1.00: QG2 ILE 93 + QD PHE 96 OK 100 100 100 100 3.1-4.4 10031=72, 3.2/10004=60...(25) QD2 LEU 27 + QD PHE 96 OK 95 95 100 100 3.8-4.9 2.1/8645=93, 8647=90...(21) QG1 VAL 5 + QD PHE 96 OK 91 92 100 100 3.9-5.5 2.1/8169=69, ~8170=66...(21) QD1 LEU 27 + QD PHE 96 OK 89 89 100 100 1.9-3.3 2.1/8647=90, 8645=83...(23) HG13 ILE 93 + QD PHE 96 OK 68 100 70 97 4.6-7.0 3.2/10031=55...(14) QD1 ILE 93 + QD PHE 96 OK 29 88 35 95 4.6-6.5 3.1/10031=56...(11) QG1 VAL 54 - QD PHE 96 far 14 96 15 - 5.7-6.6 HG3 ARG 81 - QD PHE 96 poor 8 100 30 27 4.6-9.0 3614/9275=16...(6) QG1 VAL 78 - QD PHE 96 far 0 100 0 - 6.5-9.0 QG2 VAL 78 - QD PHE 96 far 0 85 0 - 6.5-8.6 QD1 ILE 56 - QD PHE 96 far 0 59 0 - 7.2-8.8 QG2 ILE 52 - QD PHE 96 far 0 73 0 - 7.6-9.1 HG13 ILE 56 - QD PHE 96 far 0 73 0 - 7.7-10.2 QD1 LEU 6 - QD PHE 96 far 0 87 0 - 7.7-9.3 QD2 LEU 42 - QD PHE 96 far 0 92 0 - 9.0-10.3 QD1 LEU 64 - QD PHE 96 far 0 100 0 - 9.4-10.6 QD1 ILE 8 - QD PHE 96 far 0 63 0 - 9.9-11.6 QG1 VAL 58 - QD PHE 96 far 0 84 0 - 9.9-10.8 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 2.6-3.4 10050/2.4=99...(32) QD1 LEU 3 + QD PHE 96 OK 88 88 100 100 2.6-5.1 ~8072=86, 8074/2.2=82...(27) 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 2.0-3.9 8170=92, 8169/2.2=68...(22) HG LEU 55 + QE PHE 96 OK 70 70 100 100 5.2-5.8 3.7/10669=96...(17) HB2 ARG 81 - QE PHE 96 far 10 100 10 - 7.1-9.7 QG2 VAL 83 - QE PHE 96 far 0 72 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 14674 from cnoeabs.peaks (0.74, 6.96, 131.40 ppm; 5.64 A): 7 out of 18 assignments used, quality = 1.00: QG2 ILE 93 + QE PHE 96 OK 98 99 100 100 4.9-6.1 10322/8170=83...(15) QD2 LEU 27 + QE PHE 96 OK 97 97 100 100 3.6-5.3 8646=97, 8647/2.2=95...(16) QG1 VAL 5 + QE PHE 96 OK 95 95 100 100 4.1-5.8 2.1/8170=97, ~8169=59...(20) QG1 VAL 54 + QE PHE 96 OK 92 92 100 100 4.3-5.3 3.2/9220=83, 4.1/9291=63...(15) QD1 LEU 27 + QE PHE 96 OK 83 83 100 100 2.7-4.9 2.1/8646=98, ~8647=78...(21) QG2 VAL 78 + QE PHE 96 OK 59 90 90 73 5.2-6.9 8180/10669=20...(10) QG1 VAL 78 + QE PHE 96 OK 24 100 40 61 5.0-7.3 6898/9218=22...(9) HG13 ILE 93 - QE PHE 96 poor 20 100 20 - 6.0-8.8 QG2 ILE 52 - QE PHE 96 poor 16 64 60 42 5.8-7.4 6898/9218=14...(5) HG3 ARG 81 - QE PHE 96 poor 12 100 30 40 4.6-9.6 3614/9274=24...(6) QD1 ILE 93 - QE PHE 96 far 4 81 5 - 5.9-7.8 QD1 ILE 56 - QE PHE 96 far 3 66 5 - 6.2-7.9 QD1 LEU 6 - QE PHE 96 far 0 79 0 - 6.5-8.3 HG13 ILE 56 - QE PHE 96 far 0 79 0 - 6.7-9.0 QD2 LEU 42 - QE PHE 96 far 0 86 0 - 7.4-8.8 QD1 LEU 64 - QE PHE 96 far 0 100 0 - 8.8-10.4 QD1 ILE 8 - QE PHE 96 far 0 70 0 - 9.4-10.9 QG1 VAL 58 - QE PHE 96 far 0 88 0 - 9.8-10.5 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 3.4-4.4 4.0/10669=94...(25) QD1 LEU 3 + QE PHE 96 OK 81 81 100 100 3.4-4.8 2.1/8072=100...(32) 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 2.0-3.7 8072=100, 2.1/8074=100...(33) Violated in 0 structures by 0.00 A. Peak 14677 from cnoeabs.peaks (1.16, 6.96, 131.40 ppm; 6.50 A): 2 out of 3 assignments used, quality = 0.99: HB3 LEU 3 + QE PHE 96 OK 99 99 100 100 2.0-4.4 8068=100, 1.8/8066=99...(25) HB2 LEU 29 + QE PHE 96 OK 33 100 40 82 6.5-8.5 10498/8170=71...(5) HB2 LEU 6 - QE PHE 96 far 0 86 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 14678 from cnoeabs.peaks (1.52, 6.96, 131.40 ppm; 6.50 A): 5 out of 11 assignments used, quality = 1.00: HG2 ARG 79 + QE PHE 96 OK 95 95 100 100 2.3-4.7 8705/2.2=52...(19) HG3 ARG 79 + QE PHE 96 OK 94 95 100 99 2.0-5.4 3.0/10912=49...(17) HD3 LYS 53 + QE PHE 96 OK 70 70 100 100 3.3-5.0 3.6/9206=95, 3.6/9204=92...(19) HB2 LEU 3 + QE PHE 96 OK 68 68 100 100 2.3-4.5 1.8/8068=100...(22) HG12 ILE 56 + QE PHE 96 OK 58 97 70 86 6.6-9.1 9317/10669=69...(9) HG LEU 2 - QE PHE 96 poor 20 100 20 - 7.1-9.5 HG LEU 6 - QE PHE 96 poor 12 99 30 41 7.0-9.0 10659/9291=25...(4) HG LEU 57 - QE PHE 96 far 0 93 0 - 8.0-8.9 HB3 LEU 103 - QE PHE 96 far 0 100 0 - 8.8-13.8 HB ILE 7 - QE PHE 96 far 0 100 0 - 9.5-10.6 HG3 ARG 30 - QE PHE 96 far 0 98 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 14679 from cnoeabs.peaks (2.00, 6.66, 129.63 ppm; 6.50 A): 5 out of 10 assignments used, quality = 1.00: HB2 GLU 44 + QD PHE 45 OK 100 100 100 100 3.3-5.3 3.0/8990=90, 4.7/6731=89...(14) HB3 GLU 44 + QD PHE 45 OK 100 100 100 100 3.9-5.3 3.0/8990=90, 4.7/6731=89...(11) QE MET 74 + QD PHE 45 OK 99 100 100 100 5.3-6.3 10343/8928=90...(7) HB2 ARG 46 + QD PHE 45 OK 59 86 85 81 5.8-7.4 6749/4.8=43, ~10613=37...(6) HB3 ARG 46 + QD PHE 45 OK 43 58 90 82 5.7-7.4 6749/4.8=41, ~10613=30...(7) HB2 LYS 47 - QD PHE 45 poor 16 76 45 46 7.0-7.8 2133/8987=42...(3) HB3 MET 74 - QD PHE 45 poor 15 64 45 52 5.6-7.9 10341/10600=38...(3) QE MET 1 - QD PHE 45 far 0 88 0 - 8.6-10.2 HB2 GLN 50 - QD PHE 45 far 0 84 0 - 9.5-11.8 HB2 GLU 37 - QD PHE 45 far 0 89 0 - 9.7-10.7 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 2.1-3.5 10600=99, 1944/8928=75...(15) QG1 VAL 54 + QD PHE 45 OK 99 99 100 100 2.5-3.8 2.1/9222=92, 9226/2.2=83...(11) QD1 LEU 6 + QD PHE 45 OK 99 99 100 100 3.5-4.7 8211=94, 8212/2.2=91...(11) QG2 ILE 52 + QD PHE 45 OK 92 97 95 100 3.6-5.8 9144=80, 8996/2035=72...(13) QD1 ILE 76 + QD PHE 45 OK 65 66 100 98 2.8-4.4 3.2/9632=54, 9642=54...(14) QG1 VAL 78 + QD PHE 45 OK 63 91 100 69 3.3-5.0 10906/9632=44...(6) QG1 VAL 5 - QD PHE 45 far 0 58 0 - 7.5-8.7 QD2 LEU 27 - QD PHE 45 far 0 64 0 - 8.5-9.2 QD2 LEU 57 - QD PHE 45 far 0 76 0 - 8.9-10.1 QD1 LEU 27 - QD PHE 45 far 0 100 0 - 9.0-9.8 QG2 ILE 7 - QD PHE 45 far 0 70 0 - 9.8-11.0 QG2 ILE 93 - QD PHE 45 far 0 95 0 - 10.0-11.3 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: QD1 LEU 42 + QD PHE 45 OK 94 95 100 100 4.7-5.6 2.1/10600=97...(13) QG2 VAL 54 + QD PHE 45 OK 93 93 100 100 1.9-2.8 9222=91, 9223/2.2=82...(18) QD2 LEU 6 + QD PHE 45 OK 91 96 95 100 4.6-6.2 8208/2.2=90, 2.1/8211=81...(9) QD1 ILE 52 + QD PHE 45 OK 88 88 100 100 2.2-3.5 9147=78, 9170/2035=65...(16) QD1 ILE 56 - QD PHE 45 poor 12 66 70 27 4.8-6.4 230/8211=18...(3) QD1 ILE 8 - QD PHE 45 far 0 62 0 - 8.5-9.7 QD2 LEU 29 - QD PHE 45 far 0 76 0 - 8.8-10.3 QD1 LEU 29 - QD PHE 45 far 0 92 0 - 9.1-10.3 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 4.3-4.5 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...(12) HA GLU 37 - QE PHE 45 far 0 93 0 - 8.2-8.9 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 4.5-4.5 4.4=100 HB2 PHE 45 + QE PHE 45 OK 82 82 100 100 4.4-4.4 4.4=100 HE2 LYS 47 - QE PHE 45 poor 19 94 20 - 5.2-10.8 HE3 LYS 47 - QE PHE 45 far 9 94 10 - 6.6-12.0 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 2.0-2.7 4.0/10600=92, 8928=80...(17) HA GLU 37 - QD PHE 45 far 0 79 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 14686 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.67 A): 6 out of 14 assignments used, quality = 1.00: QG1 VAL 54 + QE PHE 45 OK 100 100 100 100 1.9-2.9 9226=88, 2.1/9223=83...(18) QD1 LEU 6 + QE PHE 45 OK 99 99 100 100 1.9-3.0 8212=98, 2.1/8208=88...(19) QD2 LEU 42 + QE PHE 45 OK 99 100 100 99 3.0-4.7 10600/2.2=92...(11) QG2 ILE 52 + QE PHE 45 OK 32 95 35 96 4.7-7.5 9144/2.2=63, ~9147=46...(10) QG1 VAL 78 + QE PHE 45 OK 26 95 60 45 3.7-6.4 2502/9223=27...(6) QD1 ILE 76 + QE PHE 45 OK 24 59 50 81 4.6-6.1 9642/2.2=37, ~9632=35...(8) QG1 VAL 5 - QE PHE 45 far 0 67 0 - 6.4-7.2 QD2 LEU 57 - QE PHE 45 far 0 69 0 - 7.8-9.0 QG2 ILE 7 - QE PHE 45 far 0 63 0 - 8.1-9.2 QD2 LEU 27 - QE PHE 45 far 0 73 0 - 8.1-8.8 QD1 LEU 27 - QE PHE 45 far 0 100 0 - 8.5-9.1 QG2 ILE 93 - QE PHE 45 far 0 98 0 - 9.1-10.2 QD1 ILE 93 - QE PHE 45 far 0 99 0 - 9.3-10.6 QG2 ILE 8 - QE PHE 45 far 0 85 0 - 9.7-10.9 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 2.5-3.5 9223=100, 9222/2.2=97...(22) QD2 LEU 6 + QE PHE 45 OK 71 71 100 100 2.6-4.4 2.1/8212=98, 2.1/8205=86...(20) QD1 LEU 42 + QE PHE 45 OK 65 67 100 97 4.9-6.1 ~10600=77, 4.0/14683=44...(11) QD2 LEU 29 - QE PHE 45 far 0 98 0 - 7.1-8.5 QD1 LEU 29 - QE PHE 45 far 0 100 0 - 7.7-8.7 QD1 ILE 7 - QE PHE 45 far 0 71 0 - 9.8-10.8 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 3.0-4.6 2.5/8890=96, 2.5/8889=87...(14) QE TYR 41 + HZ PHE 45 OK 77 77 100 100 4.5-6.2 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 6.0-6.2 7.2=75, 2035/3.8=69...(5) 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 = 0.99: HD2 ARG 30 + HZ PHE 45 OK 94 99 95 100 4.2-7.4 8707=98, 8722/8215=88...(6) HB3 TYR 41 + HZ PHE 45 OK 85 85 100 100 2.1-4.8 1.8/8890=100, ~8887=85...(16) HG3 MET 74 - HZ PHE 45 far 0 57 0 - 8.9-13.8 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 3 assignments used, quality = 1.00: HB2 TYR 4 + HZ PHE 45 OK 100 100 100 100 3.1-4.8 1.8/8127=92...(10) HB2 TYR 41 + HZ PHE 45 OK 79 79 100 100 2.2-4.5 1.8/8889=89, 8890=72...(13) HG3 GLU 43 - HZ PHE 45 far 0 63 0 - 9.1-10.7 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 3.0-4.8 2.1/8214=100...(15) HG3 ARG 30 + HZ PHE 45 OK 99 99 100 100 2.8-6.4 1.8/8701=97, 3.0/8707=89...(7) HG12 ILE 56 - HZ PHE 45 poor 20 99 20 - 5.7-10.4 HG LEU 2 - HZ PHE 45 far 0 100 0 - 8.0-10.3 HB2 LEU 3 - HZ PHE 45 far 0 75 0 - 8.7-10.3 HG2 LYS 47 - HZ PHE 45 far 0 75 0 - 9.2-11.8 HB ILE 7 - HZ PHE 45 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 14693 from cnoeabs.peaks (1.29, 6.14, 127.52 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HG2 ARG 30 + HZ PHE 45 OK 100 100 100 100 3.6-6.9 8701=100, 3.0/8707=89...(8) HB3 LEU 42 - HZ PHE 45 far 15 99 15 - 7.3-8.5 Violated in 1 structures by 0.02 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 2.8-4.2 8127=100, 12076/2.2=92...(11) HG3 GLU 48 - HZ PHE 45 far 0 81 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 14696 from cnoeabs.peaks (0.78, 6.14, 127.52 ppm; 5.25 A): 3 out of 14 assignments used, quality = 1.00: QD1 LEU 6 + HZ PHE 45 OK 100 100 100 100 2.2-4.2 8214=100, 2.1/8215=97...(17) QG1 VAL 54 + HZ PHE 45 OK 96 96 100 100 2.6-4.6 9229=94, 9226/2.2=84...(15) QD2 LEU 42 + HZ PHE 45 OK 90 99 95 96 5.1-6.8 10600/3.8=80...(9) QG2 ILE 52 - HZ PHE 45 far 10 100 10 - 5.8-9.2 QG1 VAL 78 - HZ PHE 45 far 8 75 10 - 5.6-8.4 QD1 ILE 76 - HZ PHE 45 far 0 87 0 - 6.3-7.9 QD2 LEU 2 - HZ PHE 45 far 0 73 0 - 7.4-10.2 QD2 LEU 57 - HZ PHE 45 far 0 93 0 - 8.2-10.2 QG2 ILE 7 - HZ PHE 45 far 0 90 0 - 8.4-9.5 QD1 LEU 70 - HZ PHE 45 far 0 59 0 - 8.8-11.2 QD1 LEU 27 - HZ PHE 45 far 0 99 0 - 9.0-9.9 QG2 ILE 93 - HZ PHE 45 far 0 84 0 - 9.6-10.7 QD1 ILE 93 - HZ PHE 45 far 0 100 0 - 9.7-11.4 QG2 ILE 15 - HZ PHE 45 far 0 71 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 14697 from cnoeabs.peaks (0.68, 6.14, 127.52 ppm; 4.70 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HZ PHE 45 OK 100 100 100 100 2.3-4.1 8215=99, 8208/2.2=87...(19) QG2 VAL 54 + HZ PHE 45 OK 85 85 100 100 3.0-4.9 2.1/9229=67, 9223/2.2=66...(17) QD1 ILE 52 - HZ PHE 45 poor 19 96 20 - 5.3-6.6 QD1 ILE 56 - HZ PHE 45 far 8 81 10 - 5.4-8.7 HG13 ILE 56 - HZ PHE 45 far 0 68 0 - 6.3-9.6 QD1 LEU 42 - HZ PHE 45 far 0 99 0 - 6.6-7.9 QD2 LEU 29 - HZ PHE 45 far 0 63 0 - 6.9-8.3 QD1 LEU 29 - HZ PHE 45 far 0 84 0 - 7.7-8.8 QD1 ILE 8 - HZ PHE 45 far 0 77 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 14698 from cnoeabs.peaks (1.46, 6.43, 132.25 ppm; 5.84 A): 3 out of 10 assignments used, quality = 1.00: HG13 ILE 52 + QD TYR 4 OK 100 100 100 100 2.1-4.2 3.2/9143=68, ~8156=63...(33) HG2 LYS 53 + QD TYR 4 OK 71 100 90 79 6.0-7.7 3.0/14573=50...(5) HG3 LYS 53 + QD TYR 4 OK 37 99 50 75 5.9-7.9 3.0/14573=50...(7) QB ALA 22 - QD TYR 4 poor 19 90 25 83 6.4-7.3 10452/14579=39...(6) HB2 LEU 27 - QD TYR 4 far 15 100 15 - 5.9-7.7 HD2 LYS 53 - QD TYR 4 far 0 100 0 - 7.0-9.5 HG LEU 29 - QD TYR 4 far 0 90 0 - 7.1-7.9 HG2 LYS 47 - QD TYR 4 far 0 70 0 - 7.6-10.5 HG13 ILE 76 - QD TYR 4 far 0 91 0 - 8.9-10.7 HB2 LEU 38 - QD TYR 4 far 0 100 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.964 Average number of used assignments : 2.103 Average rank of reference assignment: 1.183 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.31 A Atom Residue Shift Peaks Used Expect Peaks: selected : 9371 in nnoeabs.peaks : 2220 in cnoeabs.peaks : 7151 assigned : 9294 unassigned : 77 without assignment possibility : 15 with violation below 0.5 A : 10 with violation between 0.5 and 3.0 A : 40 with violation above 3.0 A : 12 in nnoeabs.peaks : 22 in cnoeabs.peaks : 55 with diagonal assignment : 902 Cross peaks: with off-diagonal assignment : 8392 with unique assignment : 4033 with short-range assignment |i-j|<=1: 5828 with medium-range assignment 1<|i-j|<5 : 1214 with long-range assignment |i-j|>=5: 1350 Comparison with reference assignment: Cross peaks with reference assignment : 5478 with identical reference assignment : 2442 with compatible reference assignment : 5192 with incompatible reference assignment : 74 with additional reference assignment : 2 with additional assignment : 3126